Volume 22, Issue 1

The use of synthetic pesticides has come under scrutiny, and there has been a subsequent shift toward the investigation of alternative methods for the treatment of plant diseases. One notable advancement in this field is the utilization of porous silicon (PS) powder as a sustainable antifungal agent. The synthesis of PS nanoparticle (PS-NP) powder was carried out using the environmentally friendly ultrasonication process. X-ray powder diffraction, Fourier transform infrared spectroscopy, Raman spectroscopy, UV-VIS absorbance, and photoluminescence were some of the methods used to characterize PS-NPs. The different characterization methods revealed the formation of a nanocrystalline structure possessing a cubic Si crystalline quality. The crystal size of PS-NPs, as determined from X-ray diffractometer data, ranges from 36.67 to 52.33 nm. The obtained PS has a high band gap of 3.85 eV and presents a photoluminescence peak at 703 nm. The antifungal activity of the synthesized PS-NPs was assessed against three molecularly characterized fungi, namely Rhizoctonia solani , Fusarium oxysporum , and Botrytis cinerea , which were obtained from tomato plants. The concentration of PS-NPs at 75 µg/mL exhibited the highest enhancement in growth inhibition percentages as compared to the control group. R. solani had the highest inhibition percentage of 82.96%. In conclusion, the encouraging structural properties and antimicrobial capabilities of PS-NPs pave the way for their application across diverse technological industries. To the best of our knowledge, this is the first in vitro study of PS-NPs to evaluate their fungal control efficiency.

High-performance biochar was prepared using de-oiled Chlorella vulgaris biomass as the raw material and KOH as the modifying activator. The properties of the biochar as an adsorbent for the removal of tetracycline (TC) and enrofloxacin (ENR) were investigated under different conditions by varying the amount of the Chlorella vulgaris de-oiled biomass (DB) input. The surface structure and physicochemical properties of different Chlorella vulgaris biomass charcoal (CBC) samples were studied and compared, and the best adsorption performance of the biomass charcoal was obtained when DB = 7. Through orthogonal analysis, it was determined that the optimal adsorption condition of CBC 7 on TC was 0.004 g (pH 3), which resulted in a removal rate of 96.45% and a maximum adsorption capacity of 241.1363 mg g −1 , and on ENR was 0.004 g (pH 7), which resulted in a removal rate of 100% and a maximum adsorption capacity of 256.3326 mg g −1 . The results of the kinetic fitting show that the adsorption of TC and ENR by CBC 7 was consistent with the pseudo-secondary kinetic equation. The maximum adsorption capacities can reach 299.8974 and 352.6736 mg g −1 . Langmuir and Freundlich adsorption isotherm models were used to describe the adsorption equilibrium of TC and ENR by CBC 7. The results show that the adsorption of TC and ENR are in accordance with the Langmuir isotherm. Graphical abstract

Ajuga iva (L.) Schreb. is a well-known antidiabetic medicinal plant used for several traditional medicine aspects in different areas of the world, including Libya. This study includes phytochemical analysis, antidiabetic evaluation, and in silico studies of the plant, A. iva , growing in Libya. The constituents of the plant were profiled using LC-MS/MS-QTOF analysis, and a total of 28 compounds were tentatively identified, including engeletin, pyrocatechol, eriodyctiol-7-hexoside, and 3,4-dihydroxybenzaldehyde, as major constituents. In addition, the steroidal compounds, i.e., 20-hydroxyecdysone, 24-dehydroprecyasterone, makisterone A, and ajugasterone D, which are considered chemomarkers for the plant, were also annotated by LC-MS analysis. The plant extract induced inhibition of α-amylase and α-glucosidase enzymes at IC 50 values of 0.18 and 0.12 mg/mL, compared to the IC 50 of the standard acarbose at 0.11 and 0.09 mg/mL, respectively. Fasting blood glucose (FBG, 360.7 mg/dL) levels were significantly reduced by the treatment of streptozotocin (STZ)-diabetic animals with 400 mg/kg (140.5 mg/dl) and 500 mg/kg (112.3 mg/dL) doses of the plant extract. The plant extract also induced a significant ( p < 0.01) increase in insulin serum level compared to the untreated diabetic rats; however, the higher dose of the plant induced similar insulin induction compared to glibenclamide. Histopathological examination of the pancreatic and liver tissues indicated that A. iva extract induced regeneration in the islets of Langerhans and liver cells compared to the untreated diabetic rats. Docking analysis demonstrated that eriodyctiol-7-hexoside, echinacoside, and 2″-galloylhyperin showed the lowest binding energies to the target sites of α-amylase and α-glucosidase enzymes, indicating their potential role in A. iva antidiabetic bioactivities. The results support the recorded traditional bioactivity of A. iva as an antidiabetic herb, whereas its contents of polyphenols play a major role in the plant’s antidiabetic effect.

In the present work, several new glycoconjugates ( 8a–e) were generated from glycopyranosyl-α-trichloroacetimidates (sugar-OTCA) as glycosyl donors and dimethyl- l -tartrate as an aglycone acceptor in good to excellent yields. In the synthetic protocol, various monosaccharides were transformed into pentaacetylated derivatives and then into glycopyranosyl-α-trichloroacetimidates. Afterward, the sugar-OTCA was reacted with dimethyl- l -tartrate using Schmidt’s trichloroacetimidate protocol to give the desired products. The newly synthesized glycoconjugates were characterized by FT-IR, 1 H, and 13 C-NMR spectroscopic analytical methods. All the target compounds ( 8a–e ) were tested in vitro against various strains of bacteria and fungi at different concentrations. The results revealed that the target compounds had encouraging antibacterial and antifungal potential. The antileishmanial activity of the target compounds against Leishmania tropica promastigotes was also investigated. The in vitro results were further supported by the in silico docking study that indicated minimum values of the docking scores and binding energies for the resulting complexes obtained by the favorable interactions between the target compounds ( 8a–e ) and the selected strains of bacteria and fungi. The docking results proposed promising antibacterial and antifungal activities of the target compounds ( 8a–e) against the selected bacterial and fungal species.

Economically viable and eco-friendly potato starch (PS) was employed to synthesize Au NPs under ultrasound irradiation. PS phytochemicals have the function of a green reductant as well as an efficient stabilizer template to cap and synthesize gold nanoparticles. Transmission electron microscopy (TEM), UV-Vis spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDX) were applied to investigate the structure of the synthesized PS-Au NPs nanocomposite. FESEM results showed that the obtained Au NPs were spherical and ∼30 nm in diameter; their crystalline nature was detected by XRD and TEM data. PS-Au NP nanocomposite shows high antioxidant effects against DPPH. The colorimetric MTT investigation was followed in the determination of anti-esophageal cancer properties of the PS-Au NP nanocomposite against KYSE-30 and FLO-1 cell lines. The findings indicate that in 3 days, the cancer cell survival percentage in various dilations reduced as much as the PS-Au NP nanocomposite concentration increased. The best anti-cancer effect of the PS-Au NP nanocomposite was reported at 1,000 μg/mL dilation. Through MTT cytotoxicity analysis the half-maximal inhibitory concentration of PS-Au nanocomposite or IC50 values against the KYSE-30 and FLO-1 esophageal carcinoma cells were found as 125 and 176 μg/mL, respectively. The data indicated that these PS-Au NP nanocomposites inhibited esophageal cancer cells more strongly than normal cells.

Pomegranate ( Punica granatum ) is one of the oldest well-known edible fruits, which has originated in Central Asia but now it has a widespread geographical distribution throughout the world. Phytochemicals are isolated from the pomegranate peels that show different nutritional and pharmaceutical properties. Absorption, distribution, metabolism, excretion, and toxicity (ADME-Tox) were performed to check the adsorption, distribution, metabolism, excretion, and toxicity of compounds. Previous studies mainly focused on the physico-chemical properties but other parameters are also important for the ADMET study. Six active phytochemicals B9 , B29 , B30 , B45 , B55 , and B70 show good ADMET properties and can be used for drug discovery in the future. Graphical abstract

Artemisia herba-alba Asso is an endemic plant from North-East Morocco offering a diverse range of pharmacological, cosmetic, and agro-ecological uses. However, Artemisia herba-alba has not been well exploited in the field of plant protection (post-harvest diseases). This is why the main objective of the present study is to evaluate the antifungal and antioxidant activities of extracts or the essential oil of this plant. Antifungal activity was assessed against Botrytis cinerea , Penicillium expansum, and Penicillium digitatum using the agar dilution method for the aqueous extracts and fumigation for the essential oil. Antioxidant activity was assessed using the DPPH scavenging test and the FRAP ferric ion reduction capacity. The chemical composition of the extracts was determined by HPLC and that of the essential oil by GC-MS/MS. In addition, the polyphenol, flavonoid, and tannin content was determined using colorimetric methods. The results of this study showed that the total content of polyphenols (217.60 mg GAE/g E), flavonoids (43.59 mg QE/g E), and tannins (32.58 mg GAE/g E) was significantly higher ( p ≤ 0.05) in the ethanolic extract than in the aqueous and hexanoic extracts. Moreover, the HPLC analysis of the aqueous extract revealed the presence of six compounds, namely, catechin, gallic acid, hydroxybenzoic acid, syringic acid, caffeic acid, and rutin. In addition, the ethanolic extract was found to contain seven phenolic compounds. On the one hand, 35 compounds were identified in the essential oil of Artemisia herba-alba , representing 99.7% of the total. According to this study, the dominant compounds in the essential oil of Artemisia herba-alba Asso are camphor (46.57%), endo-borneol (5.65%), eucalyptol (5.64%), and thymol (3.85%). Furthermore, the biological evaluation showed that the extracts and essential oil of Artemisia herba-alba have significant antioxidant and antibacterial activities. The findings show that Artemisia herba-alba is a plant that can be used as a source of antifungal chemicals to prevent putrefaction of foodstuffs and, more specifically, postharvest diseases.

Here we reported two new triazole-based coordination polymers (CPs), i.e., [Zn(Hdatrz)( μ 2 -O)] n ( 1 ) together with [Mn(Hdatrz)(C 2 O 4 )] n · n (H 2 O) ( 2 ) (Hdatrz = 3,5-diamino-1,2,4-triazole), which were generated under solvothermal conditions. The influence of different metal ions on the structure and properties of CPs was investigated. The CPs’ whole structures have been completely characterized by the powder X-ray diffraction, Fourier transform infrared spectroscopy, and thermogravimetric analysis. It is noteworthy that, upon excitation at 390 nm, ligands of compounds 1 and 2, as well as the metal complexes, all exhibit luminescence at 432 nm.

The apple is an important part of the human diet and is one of the most popular fruits in Morocco, with varieties that are now suitable for human consumption. This study aims to clarify several aspects of apples, such as their physical and chemical compositions and nutrient profiles. Total polyphenols, flavonoids, tannins, and anthocyanins were determined using spectrophotometer and organic acid compounds were identified by high-performance liquid chromatography-ultraviolet. The results show a significant difference between the several varieties under study in terms of their physico-chemical and phyto-chemical characteristics. In general, the studied apples are juiciness, with a percentage ranging from 60 to 71%. The pH values demonstrate how acidic the apples are. The Brix parameter denotes values greater than 13°Brix. Total polyphenols and condensed tannins (1154.65 ± 13.54 µg EAG/g and 514.09 ± 32.40 µg EAT/g, respectively) are more present in the Ahjjani variety than they are in other varieties. This demonstrates their good nutritional quality while not being consumable. However, the Story variety has a predominance of flavonoids (75.074 ± 2.309 µg QE/g) and flavones (45.074 ± 2.09 µg QE/g). The detection of organic acids has shown that the acid succinic is the most abundant in all the varieties of studied apple fruits. These results allow us to infer that non-consumable varieties are also important dietary sources of bioactive molecules, notably for polyphenols. The fact that these kinds can be used to produce other byproducts is therefore highly intriguing.

Kaempferia galanga L. extract contains ethyl p-methoxycinnamate (EPMC) and ethyl cinnamate (EC), which have several pharmacological activities. EPMC and EC have been successfully isolated, but the %yield was low. Therefore, developing an isolation method to increase the %yield result of EPMC and EC is essential. The molecularly imprinted polymers have been applied to separate lot of active compounds from natural products with excellent results. MIP synthesis is usually performed using a single template with high selectivity for the target analyte but only detect single chemical compounds. Hence, this study synthesized multi-template molecularly imprinted polymers (MT-MIPs) for isolating EPMC and EC simultaneously using methacrylic acid as a functional monomer and ethylene glycol dimethacrylate or trimethyl propane trimethacrylate (TRIM) as a crosslinker. The study results indicate that MT-MIP produced with TRIM is more effective in separating EPMC and EC simultaneously in K. galanga L. extracts. However, the yields of EPMC and EC were still low. The yields of EPMC and EC in n -hexane extracts were 1.557 and 1.929%, with purity of 66.330 and 61.510%, respectively. Further research is necessary to determine the ideal functional monomer and its ratio to template molecules to obtain the excellent selectivity of the MT-MIPs used for simultaneously isolating EPMC and EC.

Mesembryanthemum forsskaolii Hochst. ex Bioss is a resilient succulent plant in the Aizoaceae family. This plant has been recognized for its nutritional and metabolic benefits, but its potential remains underexplored. The aim of this research is to analyze the nutritional composition, phytochemical content, and antioxidant potential of M . forsskaolii . The protein content, total sugars, macro-, and micronutrients were estimated in seeds, leaves, and stems of the studied plant. To investigate the phytochemical profiles and antioxidant capacity, GC-MS analysis, determination of total phenolic, flavonoid, and tannin contents, ferric reducing antioxidant power (FRAP) and total antioxidant activity (TAC) tests, and 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid (ABTS) and 2,2-diphenyl-1-picrylhydrazyl (DPPH) scavenging assays were conducted. The soluble protein (147.55 mg g −1 DW), total protein (341.23 mg g −1 DW), total carbohydrate (0.258 mg mL −1 ), and nitrogen (26.152 mg g −1 ) contents of M . forsskaolii seeds were the highest. Phytochemical analysis revealed the presence of several compounds, such as β-sitosterol, phthalic acid, and phytol, which have potential antioxidative, anti-inflammatory, and antimicrobial properties. Seeds showed the greatest presence of phenols, flavonoids, and tannins, indicating high antioxidant activity in FRAP and TAC tests. The ABTS and DPPH scavenging assays showed that the antioxidant activity increased proportionally with concentration in all plant parts. However, seeds consistently demonstrated the greatest capacity. This study provides a detailed analysis on the dietary protein, carbohydrates, essential nutrients, and antioxidants that can be obtained from M . forsskaolii , highlighting its potential as a valuable source of nutrition and phytochemicals.

Butea monosperma is a deciduous tree, widely distributed throughout India, Burma, and Ceylon. The present study was intended to investigate the anti-inflammatory effects of Butea monosperma on the induced inflammatory model by evaluating pro-inflammatory biomarkers and their computational analysis. The anti-inflammatory activity may be attributed to the phyto-constituents for inhibitory effects on the two pro-inflammatory mediators (IL-8 and TNF-α). For this purpose, rats ( n = 48) were equally divided in each group, i.e., 8 each in the negative and positive control and 32 in the experimental group with 8 rats for each dose, i.e., 50, 100, 200, and 400 mg/kg. TNF-α and IL-8 were tested by serum enzyme-linked immunosorbent assay (ELISA). The ELISA results showed 400 mg/kg dose as the potent anti-inflammatory. The binding sites of target proteins (TNF-α and IL-8) were docked with the active compounds (butrin and butein) of Butea monosperma . The butrin (target: TNF-α) and butein (target: IL-8) showed −8.4 and −6.0 kcal/mol binding energies, respectively, compared to the (diclofenac) standard drug with −6.8 kcal/mol binding energy. Hence, we concluded that Butea monosperma can be subjected to as a useful anti-inflammatory drug.

This study evaluated the volatile components of Cannabis sativa L. essential oils (CSEOs) and their pharmacological potential in vitro , in animal, and in silico . The anti-oxidant capacities of volatile compounds were tested using 2,2-diphenyl-1-picrylhydrazyl (DPPH), ferric reducing antioxidant power (FRAP), total anti-oxidant capacity (TAC), and gas chromatography-mass spectrometry (GC-MS). Anti-microbial activity against bacterial and fungal strains was assessed using disk diffusion and micro-dilution, and acute toxicity was examined on mice using OECD 423 criteria. The results indicate that the main components were β-caryophyllene (31.54%), α-humulene (12.62%), β-myrcene (4.83%), and α-pinene (4.69%). The essential oil showed high anti-oxidant ability (IC 50 = 0.981 ± 0.059 mg/ml for DPPH, EC 50 = 1.74 ± 0.05 for FRAP), and TAC of 0.101 ± 0.001 mg AAE/g. Additionally, it showed significant antibacterial action against Gram-negative organisms, such as Escherichia coli (11.33 ± 0.00 mm), Klebsiella pneumonia (9 ± 0.00 mm), and Pseudomonas aeruginosa (9.34 ± 0.00), with MICs ranging from 0.0052 to 0.0208 mg/CSEO demonstrated antifungal activity against Candida albicans and Fusarium proliferatum , with activity levels of 18.66 ± 0.88 mm, 41.89 ± 3.60%, and MICs of 0.39 and 0.013 mg/ml, respectively. In toxicological studies, CSEO proved to be safe for animals. Docking identified bioactive components and explored anti-oxidant and antibacterial properties. Docking proved that bulnesol and champacol caused indicated actions.

5-Hydroxymethylfurfural (HMF) is a biomass-based chemical platform that can undergo many feasible reactions. One of the most important reactions is the oxidation to 2,5-furandicarboxylic acid (FDCA), which is the monomer for bioplastic production. In this work, the radiation method was used to investigate the conversion of HMF in both aqueous (DI) and dimethyl sulfoxide (DMSO) solutions. The effects of media solvents, atmospheric gases, HMF concentrations, additive bases, and absorbed doses of gamma radiation were studied. The results showed that the media solvent played a crucial role in HMF conversion under gamma irradiation. At 30 kGy, the HMF conversions in DI and DMSO were 92.1 and 24.1%, respectively, and the oxidation products were only found in the irradiated samples under DMSO. The HMF conversion and oxidation product formation increased with the gamma radiation dose. Moreover, it was found that FDCA stability toward gamma irradiation is highly sensitive in aqueous solution but relatively stable in DMSO. The results implied the alternative promising choice of radiation method compared with traditional methods. To join the bridge, the use of a mixture solvent DI/DMSO seems considerable in the future. Graphical abstract

Herein, the synthesis of a sensor for the determination of lead (Pb 2+ ) ions via the intercalation of iodide ions into the polypyrrole matrix is performed. It demonstrated a Nernstian slope of 31.7 mV/decade, indicating a linear response within the concentration range of 10 −5 –10 −1  M. The detection limit achieved is 9.10 −6  M, indicating the sensor’s sensitivity to low concentrations of Pb 2+ . The effectiveness of the Ppy/I − sensor in Pb 2+ sensing is confirmed through cyclic voltammetry, where a peak potential of −0.2 V is observed. The sensitivity of the sensor for Pb 2+ detection is measured to be 2 µA/M. Moreover, the Ppy/I − sensor exhibits a negative response to interfering ions, which enhances its selectivity for Pb 2+ detection. Furthermore, when tested with natural water samples such as tap or underground water, which are typically free of lead ions, the sensor demonstrates a negative response to normal interfering ions commonly found in such samples. The Ppy/I − sensor offers several advantages, including the ability to detect Pb 2+ ions at very low concentrations, a flexible and adaptable design, and a cost-effective preparation technique. These features make it a promising tool for accurate and efficient detection of Pb 2+ ions.

Considering it contains a variety of physiologically active compounds, including flavonoids, common phenols, and essential oils (EOs), St. John’s wort ( Hypericum perforatum L.) is a common plant in Bulgaria that is predominantly used in folk medicine to cure various disorders. Determining the chemical makeup of St. John’s wort inflorescences that were gathered from northern Bulgaria was the purpose of this investigation. The antioxidant activity of H. perforatum L. extracts was assessed using 1,1-diphenyl-2-picrilhydrazyl (DPPH), ferric reducing antioxidant power (FRAP), and Trolox equivalent antioxidant capacity (TEAC) tests on methanol extract. The amount of EO obtained by water distillation was 0.08%, with its main components (over 3%) being n -nonane (27.46%), β -sesquiphellandrene (11.17%), heptanal dimethyl acetal (5.94%), ethyl hexyl ketone (5.93%), undecane (3.75%), sabinene (3.3%), and tridecyl alcohol (3.1%). Methanol extracts were obtained from the inflorescences, with the total flavonoid content determined as 8.66 mg quercetin equivalents (QE)/mg and total phenolic content as 271.33 mg Gallic acid equivalent/g. The FRAP assay yielded 493.07 µmol/L of antioxidant activity, while the TEAC assay yielded 106.39 µmol/L, respectively. Our findings enable a comprehensive characterization of H. perforatum from Bulgaria and an assessment of its oil suitability for potential industrial applications. Additionally, the results could guide the selection of specimens for future targeted breeding efforts.

Dengue virus (DENV) infection is one of the diseases for which no drug is available for the treatment. The DENV NS2B-NS3 protease is considered to be the prime target for anti-dengue drug development because of its importance in the development of new virus subunits via DENV poly-protein breakdown. Pentacyclic triterpenoids (Lantadenes) from the weed Lantana camara L. and its semi-synthetic congeners have shown a wide array of biological activities in the last two decades. The virtual screening strategy was used on the library of 78 natural and semi-synthetic lantadenes to predict the potent antagonists for the NS2B-NS3 protease enzyme of DENV and their experimental validation by in vitro assay of lead molecules. In the in silico analysis of 78 triterpenoids, two lead molecules (−10.60 and −9.93 kcal/mol) were predicted to be inhibitors of protease (viral) when compared to its reference ligand 1,8-dihydroxy-4,5-dinitroanthraquinone (−5.377 kcal/mol). At the same time, binding affinity, pharmacokinetic, and toxicity profiling, along with molecular dynamics simulations, were studied. The in vitro viral infection inhibition assay inferred that lead molecule 62 exhibited a 60% and 45% reduction in DENV titers at 10 and 5 µM concentrations, respectively. The lead molecule 62 can further be optimized for its pharmacophore and has the potential to be developed as a drug-like molecule.

A new labdane diterpene characterized as 18α- O - trans - p -feruloyl-15-methyl-8(17)-labdanoate has been isolated from the roots of Vachellia nilotica . Also isolated were p -coumaric acid, ferulic acid, stearic acid, lupeol, and a mixture of β-sitosterol and stigmasterol. The compounds were obtained after a series of column chromatography on silica gel, and their structures were elucidated using NMR and LC-MS analyses. The new diterpene showed good anti-parasitic activity with an IC 50 of 0.0177 µM against Trypanosoma brucei and 0.0154 µM against Leishmania major using an Alamar Blue assay. The compound also displayed very good inhibitory activity against Leishmania major compared to Trypanosoma brucei rhodesiense with a binding energy of −10.5 and −7.8 kcal/mol, respectively. Density functional theory analysis showed that the studied compound has low LUMO–HOMO energy, signifying a high chemical reactivity with the ability to donate electrons to electron-accepting species. Graphical abstract

The dehydrogenase activity (DHA) in the rhizospheres of tomatoes grown in different soil types – Khor Abu-Habil (KA), Bara (B), and Greenhouse (Gr) – in North Kordofan, Sudan, was determined. In addition, the abundance of soil microbes in the tomato rhizospheres during the two growth stages, after 45 and 90 days (short and long term), was analyzed. The KA site (clay soil) showed the highest DHA (81.79 CFUs/g) followed by the B site (63.76 CFUs/g) (sandy loam) after 90 days of sowing, and the Gr site showed the lowest DHA (44.50 CFUs/g) (loamy sand soil) after 45 days. Moreover, the presence of high microbial activity (total density counts, total fungi, phosphate-solubilizing bacteria, Streptomycetes sp., Azotobacter sp., Azospirillum sp., and Pseudomonas sp. density counts) after 90 days and minimum microbial abundance after 45 days were identified at all sites. The measured growth parameters of fresh and dry weight, in addition to the root-to-shoot ratio, increased significantly at the same KA site dominated by a higher microbial density after 90 days. During the long term, the growth stage was positively affected by the abundance of adapted microbials that improve and enhance plant growth.

In the current era, a potent drug is still needed on the market for the treatment of various diseases worldwide. Researchers mainly focus on those enzymes that cause these diseases. One of the major diseases is caused by an enzyme called urease, which increases the concentration of ammonia in the body upon hydrolysis. Researchers across the globe have keen interest to synthesize the potent inhibitor for this conversion. From this perspective, hybrid analogs of imidazopyridine and oxadiazole ( 1–20 ) were designed and efficiently synthesized followed by characterizing them through varied spectroscopic methods ( 1 HNMR, 13 CNMR, and HREI-MS). In addition, in vitro analyses of the synthesized compounds were conducted to evaluate their anti-urease potency. There was significant potential in most compounds analyzed, but analogs 15 , 16, and 17 (IC 50 = 2.20 ± 0.10 μM, IC 50 = 2.50 ± 0.10 μM, and IC 50 = 2.30 ± 2.10 μM, respectively) performed exceptionally well in comparison with thiourea (IC 50 = 22.30 ± 0.44 μM). The selected candidates were further investigated under a molecular docking study to confirm protein ligand interactions. In addition, energy gap ( E gap ) of the HOMO–LUMO was explored via density functional theory studies.

It is known that one of the greatest problems of developed countries in the twenty-first century is traffic. For this reason, engineers have searched for alternative solutions to the problem of traffic. One such solution is the construction and utilization of rail systems instead of main roads. From an engineering perspective, rail systems can be divided into three groups: metro, light metro, and tram systems. Light metro systems, which are a form of public transportation, are not directly inside the traffic. Their most important advantages include the fact that they do not release combustion products such as CO, and metro and light metro systems may be considered environmentally friendly based solely on their electricity consumption. In this study, measurements of parameters affecting indoor air quality were made inside light metro cars and in and around light metro stations belonging to the light metro system of the Metropolitan Municipality of Antalya, known as the tourism capital of Turkey. In February and March 2021, when the COVID-19 pandemic was first registered in Turkey, particulate matter (PM), temperature, and relative humidity measurements were made for testing indoor and outside air quality. Moreover, as outside air parameters, outside temperature, outside relative humidity, CO, normalized difference vegetation index, and ultraviolet aerosol index data were obtained from the General Directorate of Meteorology of Turkey. The measurement results were analyzed using the inverse distance weighting method in the geographic information system. Based on the results of the analyses, spatial maps were created for indoor and outside air quality parameters in the light metro system. Using these maps, the effects of passenger density and environmental factors both inside the metro cars and at the metro stations on indoor air quality were identified. In addition, the spread of the SARS-CoV-2 virus in the COVID-19 period was analyzed using spatial maps of the PM 0.3 and PM 0.5 parameters. It is believed that the results of this study will set an example for further indoor air quality studies worldwide, and this study is unique in that it employed a method that is used particularly in survey and geomatics engineering for analyzing indoor air quality in light metro systems.

The recent research was done to assess the hematological and biochemical disorders in nephrotoxicity induced by gentamicin (100 mg/kg) in Wistar rats. The green-formulated silver nanoparticles (AgNPs) by Tribulus terrestris leaf were analyzed by XRD, energy-dispersive X-ray spectrometer, and field emission scanning electron microscopy. The shape of the recent nanoparticles was spherical in size of 48 nm. In the in vivo , the classical and novel kidney injury parameters were used to assess the nephroprotective properties of AgNPs in animal model. Gentamicin decreased significantly ( P ≤ 0.01) the value of PCV, concentration of HB, and count of RBC. The value of serum iron, erythropoietin, Cr, and urea raised in the gentamicin group. Leucogram revealed thrombocytopenia, granulocytosis, and leukocytosis. AgNPs improved the iron, erythropoietin, thrombocytes, leukogram, and erythrogram. The levels of creatinine, urea, GGT, ALT, AST, and ALP significantly reduced and albumin and total protein increased in group treated with AgNPs. Also, AgNPs significantly raised the anti-inflammatory cytokines, i.e., IL3, TGFβ, IL10, IL5, and IL4, and decreased the pro-inflammatory cytokines, i.e., TNFα, IL18, IL12, IL6, and IL1. These findings may offer AgNPs as a nephroprotective agent that could be a suitable therapeutic supplement in blood disorders conditions.

Naegleria fowleri is a free-living amoeba that causes primary amoebic meningoencephalitis. Despite combination drug therapies, N. fowleri is not sensitive to current drug therapies, contributing to the pathogen’s mortality rate of 98%. To enable rational drug designing, this study has proposed an integrated track of nanotechnology coupling with the enrichment concept. In the current study, zinc oxide nanoparticles (ZNP) were screened against ERK protein, which is responsible for the production of pro-inflammatory cytokines that cause brain disturbance in N. fowleri infection. Furthermore, an enrichment analysis has been executed to increase the efficiency of the ZNP through the addition of two amines and one chlorine group. The computational prediction of zeta potential, cytotoxicity, organ toxicity, calculations of binding free energy, and ADMET analysis shows that it is stable and possesses no toxic effect. Amine + chlorine enriched ZNP resulted in a binding energy of −7.8 kcal/mol, a zeta potential reliability of −40 mV, a cytotoxicity of −0.0002, inactive against all the targeted organ models, ADMET profiling shows a molecular weight of 320.54 g/mol, a lipophilicity of −0.99, high water solubility, and good gastrointestinal tract absorption. This proposed invention represents the future work for in vitro in combating this devastating disease toward a reliable therapeutic target with drugs that specifically aimed to inhibit the infection.

This article explores the potential of a specific functional food mix containing lycopene, a pigment found in tomatoes, for its role in cervical cancer prevention and treatment. The article assesses the cytotoxic effects on cervical cancer cells and conducts molecular docking analysis to understand the biological activities and binding interactions of lycopene. The formulations are analysed for their phytochemical profile, and their in vitro antioxidant activities are evaluated using spectrophotometric methods. Cytotoxicity tests on cervical cancer cells demonstrate that the ethanol extract of tomatoes exhibits the highest cytotoxic inhibition (40.28%), while carrots show minimal cytotoxic effects. Moreover, the lycopene extract exhibits dose-dependent cytotoxicity, with the highest concentration (1,000 µg/mL) displaying remarkable inhibition (74.2%). Molecular docking analysis indicates favourable interactions between lycopene and the pro-apoptotic protein BAX 1, suggesting its potential to induce apoptosis in cervical cancer cells, but camptothecin demonstrated stronger interactions. Molecular dynamics simulations confirm the stability of lycopene–protein complexes throughout the 100 ns simulation, supporting their potential as anticancer agents. Overall, the study highlights the cytotoxic effects of tomato–carrot food extracts and lycopene on cervical cancer cells. Molecular docking reveals the potential of lycopene to induce apoptosis through interactions with BAX 1. The stability analysis of lycopene–protein complexes further supports its anticancer properties. These findings enhance our understanding of the molecular mechanisms underlying the anticancer effects of lycopene and provide insights for future research on novel chemopreventive strategies for cervical cancer. However, further in vivo and clinical studies are warranted to validate the efficacy and safety of lycopene-based interventions.

Panax japonicus has long been utilized as an herbal remedy in Chinese traditional medicine for treating various diseases. In this investigation, we present the environmentally friendly silver nanoparticle (AgNP) synthesis by the aqueous extract of P. japonicas to follow its cardioprotective effects. Through various analytical methods, we identified the nanoparticles (NPs). Our XRD findings revealed the formation of Ag@ P. japonicus , while FE-SEM imagery indicated a spherical shape, with NPs measuring less than 40 nm. The UV–Vis and FT-IR spectroscopy confirm the green synthesis of Ag@ P. japonicus . In the medicinal section, 45 Wistar rats were utilized. These groups consisted of a normal group, a group that was solely treated with isoproterenol for inducing myocardial infarction, and two groups that were pretreated with AgNPs at different doses for 14 days. These pretreated groups were then challenged with isoproterenol. The expression of PI3K/Akt/mTOR and other downstream inflammatory and apoptotic mediators were followed. Additionally, the expression of Keap1, Nrf2, ECG, cardiac markers, and other downstream antioxidant enzymes were assessed. Treatment with AgNPs ameliorated the apoptosis, inflammation, and myocardial autophagy, regulated the PI3K/Akt/mTOR pathway, increased the antioxidant enzyme efficacies, and activated the Keap1/Nrf2/HO-1 pathway. The findings suggest that AgNPs may have a cardioprotective efficacy on myocardial infarction by mitigating the Keap1/Nrf2 pathway, GST, GPx, GSH, SOD, IL-1β, IL-6, TNF-α, NF-κB, Bax, Bcl2, caspase-9, caspase-3, and PI3K/Akt/mTOR pathway. Furthermore, the treatment decreased the infarct region size, attenuated the cardiac indicators levels, and mitigated immune cell infiltration and myocardial necrosis.

An ammonium chloride–Congo red (NH 4 Cl-CR) solution is presented as a potential sensing solution for aldehydes. Monofunctional aldehydes such as formaldehyde, acetaldehyde, benzaldehyde, and isobutyraldehyde caused changes in the pH of the sensing solution, producing a color transition from red-orange to violet to blue. This distinguished them from the other compounds, thereby acting as a qualitative test for the functional group. The NH 4 Cl-CR solution was also employed in making filter paper-based and silica gel-based sensors for formaldehyde and acetaldehyde vapors. These sensors responded positively towards the aldehyde gases through a color transition from pink to blue. The NH 4 Cl-CR mixture provides a simple and easy-to-handle reagent for the detection of both liquid and gaseous aldehydes which has potential applications in environmental monitoring.

Colorectal cancer is known for its substantial impact on global morbidity and mortality, with higher prevalence in developed regions. This study delves into the potential treatment advantages of resveratrol (RSV) in addressing colorectal cancer. Apoptosis and gene expression associated with apoptotic factors were explored using Caco-2 cells, a pertinent model for colorectal adenocarcinoma. The effect of RSV on Caco-2 cell viability was investigated using MTT assay and neutral red uptake assay. The level of generated ROS was high in cells exposed to RSV. Likewise, the enzyme superoxide dismutase, responsible for converting ROS into hydrogen peroxide, was concurrently elevated. The effect of RSV on DNA damage was examined through the TUNEL assay. The gene expression analyses for pro-apoptotic elements were studied using qRT-PCR. Furthermore, the impact of RSV on the migration of Caco-2 cells was conducted through a wound-healing assay. Our results reveal RSV’s cytotoxicity on Caco-2 cells, showing dose-dependent inhibition of viability, indicating its promise as a treatment agent. The induction of cell death by apoptosis is substantiated by DNA damage. Notably, the upregulated expression of caspase-3, Bax, and p53 genes suggests RSV’s potential to modulate key apoptosis-related elements. In addition, RSV displayed an inhibitory effect on cellular migration, a significant ( p < 0.05 and p < 0.01) in cancer metastasis. These findings underscore RSV’s potential to be a multifaceted therapeutic agent targeting apoptosis and metastatic processes in colorectal cancer.

Type 2 diabetes mellitus (T2DM) is a significant risk factor for osteoarthritis (OA), and metformin, as the main therapeutic drug for T2DM, has shown positive effects on OA without a clear mechanism. This study aimed to explore the protective effects and mechanisms of oral metformin in T2DM-induced OA. We identified differentially expressed genes, using the GSE117999 and GSE98918 datasets, and protein–protein interaction networks were analyzed using the MCODE algorithm in cytospace to finalize the OA hub genes (S100A8, S100A9, and S100A12). To validate whether S100A8, S100A9, and S100A12 are potential targets of action for OA, we randomly divided 40 SD rats into a control group (CG, n = 10) and a T2DM group ( n = 30). We modeled rats in the T2DM group with streptozotocin (35 mg/kg, i.p.) and a high carbohydrate and fat diet. Finally, 20 were randomly selected and divided into the T2DM group ( n = 10) and the treated group (Met + T2DM, n = 10), and the treated group was given Met (180 mg/kg/day) by gavage for 8 weeks. We subsequently used histological assessment to show that oral metformin mitigated the development of T2DM-associated OA as indicated by the OA Research Society International score and articular cartilage thickness, and immunohistochemistry also confirmed that metformin significantly reduced the expression of S100A8, S100A9, and S100A12 in the knee joints of OA rats. In conclusion, metformin demonstrated a protective effect against OA in T2DM-induced rats, slowing knee OA progression by inhibiting S100A8, S100A9, and S100A12 expression. These findings suggest potential biological targets for future OA treatments.

Urinary incontinence is the major sign of menopause genitourinary syndrome and is usually related to the sexual dysfunctions. Fifty percent of menopausal women have menopausal urinary tract. Menopause genitourinary syndrome is a hypoestrogenic condition with external sexual, urological, and genital implications. The production of estrogen decline after menopause is an important parameter for urinary incontinence. Recently, nanotechnology has been applied as a remedial option for the genitourinary disease treatment. Silver nanoparticles were mediated by the Silybum marianum aqueous extract for the menopausal urinary incontinence treatment in ovariectomized rats in the current experiment. The green-formulated AgNPs@ Silybum marianum were characterized by FT-IR, TEM, SEM, and UV–Vis. The SEM findings prove the spherical morphology with size of 15–60 nm. The ovariectomized rats were treated by AgNPs@ Silybum marianum (5 and 20 µg/kg/day) for 56 days. According to the results, AgNPs@ Silybum marianum increased the urinary bladder weight and reduced the body weights in comparison with the untreated rats. AgNPs@ Silybum marianum rats indicated a dose-dependent amelioration for the acetylcholine contraction index. AgNPs@ Silybum marianum also ameliorated the levels of serum 17β-estradiol, urinary bladder hydroxyproline, triglyceride, cholesterol, LDL, HDL, ALP, AST, and ALT in the ovariectomized rats. Based on the experiment results, the recent formulation may be applied for the menopausal urinary incontinence treatment in humans after performing the clinical research.

The tetrahydropyridine (THP) moiety is notably present in synthetic and natural products, playing a cardinal role in the food, cosmetic, and pharmaceutical industries. The THP structure is an instrumental constituent and is widely found in alkaloids that have therapeutic properties against inflammation, cancer, the nervous system, and bacterial infections. The use of THPs has gained traction, so it is imperative to increase the structural database through the synthesis of THP derivatives. The focus of this study is to make structural modifications to the benzene ring portion of the lead compound while keeping the pyridine ring constant. Eleven novel THP analogs were synthesized using a four-step synthetic approach involving partial reduction of N-substituted ylides into 1,2,3,6-THPs. The results illustrate that 11 THPs were successfully synthesized in low to moderate yields. Flash chromatography was utilized for purification. Proton nuclear magnetic resonance, deuterium oxide exchange, carbon nuclear magnetic resonance, infrared spectroscopy, and CHN elemental analysis were utilized to characterize the THP analogs. This study aids in contributing knowledge to the THP database.

Water stress significantly affects on rice yield and quality. Eight Japonica varieties from the first and second accumulated temperature zones of Heilongjiang Province were used as materials and four moisture gradients (0, −10, −25 and −40 kPa) were conducted at the grain-filling stage to clarify the effect of water stress on the rice yield and quality in cold regions. The results showed that the rice yield was reduced due to the decrease in the seed setting rate. Rice chalkiness was significantly increased by drought stress, especially under −10 kPa. The protein content of most varieties was significantly reduced and taste quality was increased under −25 to −40 kPa. The effect on protein components increased with increasing drought stress. The gel consistency decreased and the average chain length of amylopectin was less affected by drought. With an increase in moisture deficit, the rapid viscosity analyzer characteristics and chain length distribution of amylopectin showed a trend of first increasing and then decreasing or decreasing and then increasing. The response of starch to mild and severe drought varied. Our study provides a theoretical basis for the efficient utilization of water and high quality and yield of Japonica rice.

Osteoarthritis is caused by the cartilage destruction of the bones of the joint surfaces and structures that produce synovium fluid. Osteoarthritis treatment includes the use of surgical methods and non-surgical or maintenance treatments including knee orthoses, medical insoles with external edges, use of physiotherapy techniques, exercise, weight loss in obese people, and teaching the principles of joint care. The main goal of treatment in osteoarthritis of the knee is to ameliorate physical function, decrease pain, and reduce the progression of the disease, through correcting the knee alignment and reducing the varus torque. Previous studies have indicated that medicinal plants and herbal nanoparticles (NPs) have the best anti-inflammatory effects. β-Cyclodextrin is a cyclic carbohydrate molecule that is used as a host to prepare inclusion complexes. In this study, the synthesis of nickel NPs is based on β-cyclodextrin (NiBCD NPs) for accelerating the osteoarthritis articular cartilage repair. The FT-IR and XRD techniques confirmed the formula of NiO for the NiBCD NPs. The FE-SEM imaging shows a non-spherical structure for NiBCD NPs with a size of less than 100 nm. In EDX, the signals at the energy levels of 8.3, 7.5, and 0.87 keV are assigned for the electron migration of Ni Kβ, Ni Kα, and Ni Lα. Furthermore, the signals for the elements of oxygen and carbon of BCD appeared at 0.52 and 0.28 keV. The effectiveness of NiBCD NPs in promoting chondrogenesis was examined in orthopedic experiments using primary cultured chondrocytes. Subsequently, we determined the functional restoration following NiBCD NPs’ transplantation in a knee osteoarthritis articular cartilage injury model. We conducted histological, PCR, and Western blot assays. In the immunological analysis, the levels of MMPs, IL-1β, TNF-α, and p-p65 expression were found to be reduced by NiBCD NPs. This reduction may be attributed to the regulation of cellular redox homeostasis through Nrf2. Furthermore, our findings demonstrated the positive impact of NiBCD NPs on stimulating chondrogenesis in vitro. Notably, the NiBCD NPs’ application accelerated the recovery of injury-induced dysfunction. Additionally, the presence of NiBCD NPs at the injury site suppressed abnormal fibrosis and angiogenesis. The histological assay revealed the chondrocytes’ proliferation and increased cartilage matrix synthesis in the NiBCD NPs’ presence.

The brain, heart, liver, kidney, and other organs are susceptible to the harmful effects of ischemia-reperfusion injury (IRI), where the excessive production of reactive oxygen species (ROS) following IRI contributes to tissue damage and ensuing inflammation. In recent years, researchers have designed various nanoparticles that are responsive to ROS for the treatment of IRI. Empagliflozin (EMPA), an inhibitor of the sodium-glucose cotransporter-2 commonly used in type 2 diabetes mellitus, shows promise in mitigating IRI. However, its water-insolubility and low bioavailability present challenges in fully realizing its therapeutic efficacy. To tackle this issue, we formulated EMPA-loaded nanomicelles designed to respond to ROS, aiming to prevent renal damage caused by ischemia-reperfusion. Extensive characterization confirmed the effectiveness of the formulated nanomicelles. Through simulations and release studies, we observed structural modifications in the micelles leading to the release of EMPA upon encountering ROS (H 2 O 2 ). In animal studies, rats treated with EMPA-loaded micelles showed normal renal tissue architecture, with only some remaining tubular swelling. Molecular assessments revealed that IRI triggered cell apoptosis through mechanisms involving hypoxia, metabolic stress, ROS, and TNF-α elevation. EMPA treatment reversed this process by upregulating B-cell lymphoma protein 2 and reducing levels of associated X (BAX) protein, Caspase 3, and Caspase 8. These results indicate that ROS-responsive micelles could act as a spatially targeted delivery system, effectively transporting EMPA directly to the ischemic kidney. This offers a promising therapeutic strategy for alleviating the impact of renal IRI.

Recent advancements in nanotechnology have spotlighted lipid nanocarriers as potent mediums for drug delivery, with solid lipid nanocarriers (SLNs) emerging as a key focus due to their unique structural attributes. This research specifically addresses the development and evaluation of the anti-inflammatory properties of SLNs loaded with sodium aescinate. To identify the most effective composition, a detailed pseudo-ternary phase diagram was employed. The production process of these SLNs involved sophisticated high-pressure homogenization techniques. For characterization, the average particle size and zeta potential were precisely measured using advanced laser diffractometry. Additionally, to ascertain the effectiveness of the drug encapsulation, the SLNs underwent a rigorous high-speed centrifugation process, enabling accurate determination of both the encapsulation efficiency and drug-loading capacity. The results of this research reveal that a relatively refined method for determining sodium aescinate content has been established, and a reasonable formulation has been selected for the preparation of sodium aescinate solid lipid nanoparticles. The average particle size was 142.32 ± 0.17 nm, the zeta potential was 1.60 ± 0.32 mV, and the encapsulation rate was 73.93 ± 4.65%. The drug loading was 13.41 ± 1.25%. In conclusion, this method can produce stable solid lipid nanoparticles containing sodium aescinate with uniform particle size, even distribution after encapsulation, and significant anti-inflammatory activity.

The rise of emerging pollutants in the environment as a result of economic growth poses a worldwide challenge for the management of environmental and human health. The objective of this study was to assess the presence of potentially toxic elements (PTEs) in the agricultural soil of southwest Riyadh, Saudi Arabia, and to evaluate the potential health risks associated with these elements. Soil samples were collected from 31 farms, and the concentrations of As, Pb, Cu, Ni, Zn, and Fe were analyzed using inductively coupled plasma-atomic emission spectrometry. Various contamination and health risk indices, along with multivariate analyses, were employed in the evaluation. The mean concentrations of PTEs (mg/kg) followed the order: Fe (15,556) > Zn (53.36) > Ni (21.78) > Cu (11.92) > Pb (10.42) > As (2.64). The average PTE concentrations were found to be lower than background levels and the world-soil average. Contamination indices indicated that the studied soil was moderately enriched and contaminated for As, slightly enriched for Zn and Ni, and not enriched for Cu and Pb. This suggests that the PTEs in the soil do not pose a significant threat, although some individual samples exhibited significant enrichment for Zn and Pb. Multivariate analyses suggested a geogenic source for the PTEs, with some contribution from anthropogenic factors for As, Zn, and Pb. The average hazard index values ranged from 0.000293 (Zn) to 0.030561 (Fe) for adults and from 0.002726541 (Zn) to 0.284670158 (Fe) for children, indicating no significant non-carcinogenic risk to the population in the study area. Additionally, the Lifetime Cancer Risk values for adults and children ranged from 6.94 × 10 −6 to 6.46 × 10 −5 for As and from 7.13 × 10 −8 to 6.65 × 10 −7 for Pb, suggesting acceptable or tolerable carcinogenic risk and no significant health hazards.

Considering the challenges related to hydrogen storage and transportation which hinder its widespread adoption, ammonia has emerged as a carbon-free carrier for hydrogen due to several advantages such as simple inexpensive storage. But, due to some limitations related to net ammonia combustion, the suggestion is to store hydrogen in the form of ammonia and convert it into hydrogen-rich fuel before utilization in different applications like engines and turbines. Therefore, in this article, a comprehensive thermodynamic analysis of hydrogen-rich fuel production via ammonia decomposition is conducted utilizing Aspen Plus V.12, to assess the impact of operating parameters on key criteria such as conversion rate (CR) and enthalpy of reaction, to establish the maximum level of efficiency of the process. The results show that at a specific temperature, the CR of ammonia decreases as the pressure rises so that the CR of more than 50% occurred at temperatures of 427 and 513 K for pressures of 1 and 10 bar, respectively. Moreover, the adiabatic flame temperature of hydrogen-rich fuel is investigated so that increasing the molar percentage of hydrogen from 0 to 50 leads to an increase in the maximum adiabatic flame temperature from 2,079 to 2,216 K.

The synthesis of the nanomaterial is crucial for its characteristics, as well as physiological features. Green nanoparticle production, which reduces metal ions using natural extracts rather than industrial chemical agents, has been created to lower costs, minimize pollution, and improve environmental and human health safety. An aqueous and methanolic extract of a combination of Citrus sinensis and Citrus limetta peel was utilized for the green synthesis of cobalt nanoparticles. UV–Visible, Fourier-transform Infrared, X-ray diffraction (XRD), scanning of electron microscopy (SEM) and other techniques were employed to describe the prepared cobalt nanoparticles. The crystal structure of cobalt nanoparticles was revealed by XRD study. The SEM images of the cobalt nanoparticles revealed the usual subdivision dimensions of 20–30 nm. Using the well diffusion method, the antibacterial activity of the crude extract derived from the combination of the two plants mentioned above and the biosynthesized cobalt nanoparticles was assessed. The result showed that the crude extract and cobalt nanoparticles exhibited antibacterial activity and cobalt nanoparticles exhibited much higher activity than the crude extract. Overall, these findings revealed that formulated cobalt nanoparticle treatment considerably prevented the development of different micro-organisms.

Understanding ten significant of dengue virus a paramount due to its persistent threat across the globe causing numerous epidemic and millions of deaths every year. Despite advancement in healthcare, emerging outbreaks continue to claim millions of lives annually. The virus with its various serotype possesses a significant challenge to public health worldwide, its transmission through the arthropods which feed on the blood of higher animals further exacerbates its impact. This elucidating the mechanism and factor contributing to dengue virus pathogenicity is essential for developing strategies to combat its spreading. A systemic review is done while studying about Dengue virus serotypes to evaluate the relationship of dengue with other viral load and to develop an inhibitor in viral protein by using different bioinformatics tools in silico molecular docking. Phytochemicals were chosen to hit the target site of protein for inhibiting its active site in pathogenesis of Dengue virus. A phylogenetic lineage was observed of virus with other members of its family. Dengue virus has same similarities in some part of genomic structure with other viruses. Data bases were used to trace the genome of the virus. Different components of virus were analyzed and link was developed among those components within virus and other family members. Protein docking was performed by using the bioinformatics software auto docking. A pharmaceutical drug designing was developed to create inhibitor of protein structure in Dengue virus serotype-2. A comprehensive review of the methodology employed in our study including the experimental and computational techniques were utilized. Further we presented the results by analysis of genetic variation MCP-1 polymorphism and docking phytochemical inhibitors.

Here we have shown the novel biosynthesis of silver nanoparticles (Ag NPs) encapsulated by chitosan polymers in the presence of Achillea millefolium aqueous extract (Ag NPs@CHI). The Ag ions were first embedded over the chitosan surface enriched with polar organofunctions like amines (NH 2 ) and hydroxyls, and subsequently the ions were reduced green-metrically by the electron rich phytochemicals of the plant extract. After the synthesis numerous techniques, including the UV-vis spectrum, transmission electron microscopy, FE-SEM, EDS-elemental mapping, and ICP-AES, were used to study the physicochemical characteristics of the nanocomposite biomaterial. Next, we explored the material biologically in the anti-cutaneous squamous cell carcinoma effects against the corresponding cell lines like PM1, MET1, MET 4, SCC T9, SCC IC1MET, SCC IC19, SCC T8, and SCC T11. The related IC 50 values of the nanocomposite against them were 182, 158, 177, 178, 177, 99, 62, and 183 µg/mL, respectively. The cytotoxicity in terms of percentage cell viability of cancer cells were decreased with the increase in the nanocomposite doses.

In the current study, Heliotropium bacciferum leaf extract was used to biosynthesize copper oxide nanoparticles (CuO-NPs). Various analytical techniques were used to characterize the produced CuO-NPs. Transmission electron microscope investigation indicated well-distributed spherical particles in various development phases. The particles’ diameters ranged from 22.15 to 37.01 nm, with an average of 24.8 ± 6.1 nm. Energy dispersive X-ray examination confirmed the presence of nanoscale Cu ions at a high concentration, as seen by the strong signal peak at 1 keV. Fourier transform infrared spectrum revealed various functional groups on the green-produced CuO-NPs, as evidenced by multiple absorption beaks. The bands found at 3,195 and 2,916 cm −1 revealed that phenolic and flavonoid compounds’ alcohols and alkanes were stretching C–H. Also, a band at 1,034 cm −1 is typically attributed to CuO production. CuO-NPs exhibited significant bioactivity against isolated and molecularly identified fungal strains, including Rhizoctonia solani (OR116528), Fusarium oxysporum (OR116508), and Botrytis cinerea (OR116491). Remarkably, the highest inhibition percentages were recorded at 100 µg/mL, with values 81.48, 71.11, and 50.74% for R. solani , F. oxysporum , and B. cinerea , respectively. Molecular docking interactions revealed that the highest binding affinity of CuO-NPs was −5.1 for the oxidoreductase of B. cinerea and −5.2 and −5.4 for the chitin synthase of R. solani and F. oxysporum , respectively. Consequentially, the biosynthesized CuO-NPs could be employed as antifungal biocontrol agents, as well as using H. bacciferum leaf extract for the synthesis of nanoparticles for various sustainable agricultural applications.

The aim of this work was to improve the quality parameters, functional properties, and sensory attributes of the fino bread using sprouted whole wheat flour (SWWF) at different levels, i.e., 3, 6, and 9%. Results demonstrated that SWWF has two-fold phenolic compounds and antioxidant ability compared to unsprouted wheat. The SWWF was found to be high in protein, minerals, and fat while low in carbohydrates compared to the control sample. Additionally, the microbial loads of SWWF were within processing-acceptable limits. Dough stability and rheological attributes of wheat with SWWF were evaluated to predict the texture of the final bread. There was a positive correlation between stability time and mixed dough and texture parameters of wheat bread with SWWF. The bread made using SWWF was high in protein content. The panelists accepted the bread up to 9% SWWF addition from a sensory perspective. The findings demonstrated that SWWF might be suggested for utilization as an enhancer, particularly up to 9% addition in the bread-making industry. Graphical abstract

Epibulbar dermoid, benign tumors resulting from the improper function of the pathogenic protein Patched 1 (PTCH1), surgical interventions are employed to mitigate the lethal effects. However, these procedures often lead to complications such as scleral weakening and corneal astigmatism. Due to the absence of effective medical treatments, there is a critical need for novel approaches to prevent the spread of this disease. This study not only fills a key gap in medical therapy for epibulbar dermoid, but it also demonstrates AI’s transformational potential in drug development. Employing an AI drug design service, three efficient de novo therapeutic compounds targeting the PTCH1 protein were crafted with Fisetin. The method included obtaining the PTCH1 protein sequence from NCBI, computing physiochemical parameters with Expasy Protparam, and estimating the 3D structure with SWISS-MODEL. Quality assessment, binding site prediction, drug design with WADDAICA, Lipinski’s Rule of 5, toxicity screening, ADMET evaluation, docking analysis with CB-dock and Patch dock, and MD simulations with IMOD all work together to provide an adequate basis for the development and validation of AI-designed phytochemical medicines for epibulbar dermoid. Comprehensive pharmacokinetic and toxicity assessments demonstrated the outstanding absorbency of AI-designed Fisetin in the blood–brain barrier, emphasizing its non-toxic nature. The AI-designed Fisetin exhibits a notable affinity of approximately −9.2 kcal/mol during docking with the PTCH1 protein, suggesting its potential as a drug. While the in silico results indicate efficiency and safety, the necessity for in vivo testing is acknowledged to validate these promising findings. This research significantly advances the frontier of knowledge by proposing a non-invasive solution to epibulbar dermoid, addressing current limitations, and offering potential alternatives to conventional surgical interventions.

In the current work, bis-thiourea derivatives have been synthesized through condensation reaction between isothiocynates and diamines in dry acetone to form SK1 (1,2-bis( N -benzoylthioureido) benzene), SK2 (1,3-bis( N -benzoylthioureido) benzene), and SK3 (1,4-bis( N -benzoylthioureido) benzene). The structures of new synthesized derivatives were confirmed through melting point and spectroscopic technique such as 1 HNMR only. The synthesized compounds were assessed for acute toxicity test and are proved free of toxicity. The derivatives were further tested as anti-inflammatory agents by in vitro lipoxygenase enzyme inhibition studies, molecular docking, and in vivo carrageenan-induced paw edema assay, and histamine-induced edema test. The overall observations presented that compounds SK1 and SK3 possess promising anti-inflammatory potential, while compound SK2 is found to be a good anti-inflammatory agent.

The hypoglycaemic and hypolipidemic potential of ethanol extract of C. bursa-pastoris (ECbp) in streptozotocin (STZ)-provoked diabetic rats was evaluated, and compounds with their α-amylase and α-glucosidase inhibitory potential were isolated. Acute oral toxicity was evaluated in rats. Streptozotocin (STZ) (50 mg/kg body weight) was injected intraperitoneally into rats for diabetes induction. In diabetic rats, ECbp (0.2 g/kg b.w, p.o.) was administered orally for 21 days, and its outcome on blood glucose levels and body weight was observed on a weekly basis besides lipid profile. Compound isolation from ECbp was performed using column chromatography. Oral feeding of ECbp did not produce any toxic effects or death at a dose of 2,000 mg/kg body weight. A serum glucose reduction trend was observed in rats fed with glucose pre-treated with 200 mg/kg b.w. ECbp also appreciably ( p < 0.001, p < 0.01, and p < 0.05) diminished raised blood glucose with decreased blood cholesterol levels and led to increased serum high-density lipoprotein levels in comparison to diabetic control rats. Body weight levels were considerably higher ( p < 0.05) in diabetic rats treated with ECbp than in diabetic control rats. Isolation of two terpene derivatives (ECbp-1 and ECbp-2) was performed using ECbp, which exhibits significant α-amylase and α-glucosidase inhibition. Graphical abstract

The purpose of this research was to examine the interaction between metabolites of Lactobacillus plantarum YW11, characterized through GC–mass spectra (MS) analysis, and the FN1 protein in cases of familial pulmonary fibrosis, found from hub genes analysis. GC–MS analysis was performed to identify metabolites in L. plantarum . Then, gene expression analysis and functional annotations were conducted to investigate the hub genes. A network of hub genes and transcription factors (TFs) was constructed, highlighting the significance of FN1 in the disease’s etiology. Molecular docking was employed to explore the interaction between the characterized metabolites and the FN1 protein. Toxicity analysis was also carried out. Thirty-two active compounds of L. plantarum YW11 were characterized by GC–MS. The gene expression analysis identified 295 differentially expressed genes, including 10 hub genes and 6 TFs, providing further support for the involvement of FN1 protein in the disease. The results of the molecular docking studies suggest the therapeutic potential of targeting FN1, with the best docking result observed for the interaction between FN1 and the 2,4-di- tert -butylphenol metabolite (energy of −6.9 kcal/mol). The toxicity analysis and molecular dynamic simulations support the suitability of 2,4-di- tert -butylphenol as a candidate for targeting FN1.

Prostate cancer is a cancer prevalent form characterized by serious clinical symptoms. The discovery of a novel supplement or medication for prostate cancer within the realm of chemotherapeutic drugs holds significant value. Our research involved the synthesis of copper nanoparticles (CuNPs) infused with Pistacia khinjuk leaf extract to explore their potential anti-prostate cancer, cytotoxic, and antioxidant properties. The green-formulated CuNPs were characterized by TEM, UV-Vis spectrophotometry, FE-SEM, FTIR. The FE-SEM and TEM findings prove the spherical structure with a size of 10–70 nm. The DPPH assay was carried out to examine the effectiveness of antioxidants. CuNPs exhibited the ability to inhibit 50% of DPPH at 215 µg/mL. To assess the anti-prostate cancer properties of CuNPs, an MTT assay was performed on NCI-H660, DU 145, LNCaP clone FGC, and LNCaP clone FGC-Luc2 cells. CuNPs exhibited remarkable efficacy in inhibiting prostate cancer growth, while demonstrating negligible toxicity towards normal cells. The LNCaP clone FGC cell line displayed the most potent anti-prostate cancer effects of CuNPs. IC 50 of CuNPs was 322, 365, 247, and 273 on NCI-H660, DU 145, LNCaP clone FGC, and LNCaP clone FGC-Luc2 prostate cancer cells. CuNPs containing Pistacia khinjuk were found to possess noteworthy anti-prostate carcinoma characteristics and presented excellent antioxidant potentials, as highlighted by this study.

Doped materials have received substantial attention due to their increased usefulness in photocatalytic applications. Within this context, the present study was dedicated to investigating the potential of the precipitation technique for producing La-doped tungsten oxide (WO 3 ). To comprehensively characterize the synthesized La-doped WO 3 , scanning electron microscopy and X-ray diffraction were judiciously employed. The focal point of the investigation encompassed an examination of the impact of varying La concentrations on multiple fronts: the photocatalytic activities (PCAs), as well as any associated structural and morphological modifications. This holistic approach aimed to uncover the intricate relationship between La incorporation and the resulting properties of the WO 3 matrix. Through the degradation of Malachite green dye within an aqueous medium, PCA of the La-doped WO 3 samples was quantitatively evaluated. Remarkably, over 180 min under irradiation of visible light irradiation, the achieved levels of dye degradation were remarkable, amounting to 81.165, 83.11, and 83.85% for the respective samples. These findings firmly underscore the potential of La-doped WO 3 as a proficient photocatalyst, particularly in color removal from wastewater. This study paves the way for enhanced wastewater treatment approaches by utilizing doped WO 3 materials. Graphical abstract

A one-pot synthesis approach was employed to create a composite nanorod structure (Mn 2 O 3 –MnO 2 –poly( m -methylaniline) or Mn 2 O 3 –MnO 2 –P m MA) on a polypyrrole (Ppy) film. Optoelectronic and solar cell thin film devices were constructed using n- and p-type layers of Mn 2 O 3 –MnO 2 –P m MA and Ppy, respectively. The optical characteristics of the n-layer, coupled with the morphological behavior of its nanorods, enhance optical absorbance efficiency, reducing the bandgap value to 2.48 eV. The behavior of the optoelectronic device is chiefly determined by the significantly higher current density ( J ph ) value of 0.017 mA/cm 2 compared to the dark current density ( J o ) value of 0.002 mA/cm 2 . Additionally, the linear dynamic range is 85 dB, and the noise ratio is 12%. The optimized values for the photosensitivity ( R ) and detectivity ( D ) at 340 nm are 0.22 mA W −1 and 0.47 × 10⁸ Jones, respectively. Even at 540 nm, these values decrease to 0.08 and 0.2 × 10⁸ Jones, respectively. For solar cell behavior, the short-circuit current ( J SC ) and open-circuit voltage ( V OC ) at 540 nm are determined, yielding values of 0.001 mA/cm 2 and 0.98 V, respectively. The outstanding performance of this optoelectronic device, coupled with its solar cell behavior, positions the thin film material for a dual role in various industrial applications.

Groundwater serves as the lifeline in arid regions, where aquifer overuse and climatic factors can substantially degrade its quality, posing significant challenges. The current study examines the drinking water quality in the Al Qaseem area and assesses the potential health risks from nitrate ( NO 3 − {\text{NO}}_{3}^{-} ) and fluoride (F − ) exposure to infants, children, and adults. This evaluation employs parameters such as the daily water intake, hazard quotient, and non-carcinogenic hazard index. Groundwater samples from 38 wells and boreholes were analyzed for major cations and anions. The water quality index and multivariate tools were utilized. The average concentrations of SO 4 2 − {\text{SO}}_{4}^{2-} , Cl – , Ca + , Na + , Mg 2+ , and K + exceeded acceptable limits. Among the 38 samples, 8 were unsuitable for drinking, with 5 categorized as very poor quality, 10 as poor, 14 as good, and 1 as excellent. Nitrate levels ranged from 1.30 to 108.00 mg/L, with a mean of 36.56 mg/L. Three wells exceeded World Health Organization (WHO) guidelines (50.00 mg/L). Fluoride ranged from 0.10 to 0.98 mg/L, with a mean of 0.71 mg/L and none surpassing WHO recommendations (1.5 mg/L). The HI values for adults, children, and infants were 0.993, 2.606, and 2.78, respectively. About 57.89% of the water samples exceeded the safety level of 1 for adults and 94.73% for both children and infants. Thus, the groundwater in the study area may pose non-carcinogenic health risks to infants, children, and adults when used as drinking water.

This study rigorously evaluated the inhibitory effects of chloroform (PDCL) and methanol (PDML) extracts from date palm ( Phoenix dactylifera L.) leaflets, in comparison to fosetyl-aluminum, against molecularly identified fungal strains Fusarium oxysporum (OR116511), Botrytis cinerea (OR116493), and Rhizoctonia solani (OR116530) isolated from date palm tree roots and fruits. We found that coumaric acid (1663.91 µg g −1 ) is one of the top four high-performance liquid chromatography-major phenols in the PDML extract, while the PDCL extract includes rosmarinic acid (291.08 µg g −1 ). The major flavonoids in the PDML extract are naringenin and kaempferol, whereas PDCL extract includes naringenin and quercetin. In the PDML extract, methyl 9- cis -11- trans -octadecadienoate (9.96%) is one of the top five gas chromatography–mass spectrometry major compounds; likewise, cis -13-octadecenoic acid (26.16%) is in the PDCL extract. The highest growth inhibition percentages of PDCL and PDML extracts were initiated against F. oxysporum (60.53 and 50.00%) at 150 µg mL −1 , respectively, whereas inhibition against B. cinerea was realized at the highest concentration with 50.82%. Fosetyl-Al potently inhibited the growth of fungal isolates to varying degrees. Therefore, we could successfully employ PDCL extract to control the growth of F. oxysporum and B. cinerea and also use both extracts against R. solani .

In the harvest season, besides good quality pomelos, many unqualified pomelos exist for commercial purposes. However, these products still have much potential to be exploited to optimize profits for producers. Therefore, this study was conducted with the aim of developing a alcohol pomelo beverage (APB) process from pomelo to create added value for this fruit. In this study, pomelo fruit, a tropical fruit with high nutritional values, was used as the primary substrate for a process of alcoholic fermentation using Saccharomyces strains. The indicators included yeast with a density of 10 3 , 10 5 , and 10 7 CFU/mL, initial total soluble solid (TSS) was 19, 23, and 27, and the fermentation time was 0, 6, 8, 10, 12, and 14 days. The result shows that the optimal fermentation process could be carried out at the initial TSS of 27%, yeast density of 10 3 CFU/mL, and fermentation time of 12 days to attain the final product with the alcohol content of 10.35% (v/v). In addition, the final product was found to show the presence of phytochemicals such as phenols, tannins, flavonoids, alkaloids, coumarins, quinones, saponins, terpenoids, and steroids. The total polyphenol content in beverage was 271.3 mg GAE/mL, highly correlated to its antibacterial capacity. Besides, the antioxidant capacity of APB was also recorded through the DPPH free radical scavenging ability of 11,599 µg/mL and H 2 O 2 of 14.33 µg/mL, respectively. Sensory evaluation results recorded positive feedback on odor (4.2/5) and acceptability (4/5). In summary, APB products have nutritional value and organoleptic characteristics that are suitable for the consideration of large-scale production expansion in the future. Graphical abstract

Since the emergency of coronavirus disease 2019, no specific drug has been developed within the fighting program against its spread. In Cameroon, it has been reported that the dish “yellow soup” can significantly curb the progress of the disease, while no chemical investigations have been done so far to support that conclusion. Chemical investigations of four selected spices of that dish led to the isolation of a total of 44 distinct pure compounds, which were identified using spectroscopic data. Furthermore, the docking scores of the isolated compounds were inspected by AutoDock4.2.6 software toward SARS-CoV-2 multi-targets involving main protease (M pro ), helicase, papain-like protease (PL pro ), and human angiotensin‐converting enzyme 2 (ACE2). The most potent isolated compounds underwent molecular dynamics (MD) simulations over 100 ns. Stigmasterol demonstrated outstanding potency toward M pro and PL pro with Δ G binding values of −35.6 and −36.6 kcal/mol, respectively, compared to nirmatrelvir. Nevertheless, 3β-taraxeryl acetate revealed good binding affinity against helicase and lupeol unveiled superior binding energy toward ACE2 compared to nirmatrelvir. Post-MD analyses manifested great steadiness of the isolated compounds within the binding pockets of SARS-CoV-2 targets throughout 100 ns MD simulations. Stigmasterol, 3β-taraxeryl acetate, and lupeol are recommended for further in vivo / in vitro tests toward SARS-CoV-2 multi-targets.

This study applied a subtractive genomics approach to identify a potential drug target in the Porphyromonas gingivalis strain (ATCC BAA-308/W83). The aim was to characterize the whole proteome and hypothetical proteins (HPs) through structural, functional, and pathway predictions. The proteome was systematically reduced to identify essential proteins (EPs), non-homologous proteins (NHPs), and non-paralogous proteins (NPPs) while excluding those that were similar to the human proteome. Out of 1,836 proteins, the cluster database at high identity with tolerance algorithm identified 36 sequences as paralogous, having 80% identity. The resulting 1,827 proteins were compared to the human proteome using BLASTp ( e -value 10 −3 ), resulting in 1,427 NHPs. These were then aligned with the DEG database using BLASTp ( e -value of 10 −5 ), identifying 396 NHPs essential for pathogen survival. CELLO predicted the sub-cellular localization, and KEGG Automated Annotation Server identified potential metabolic pathways using a BLASTp similarity search of NHPs and EPs against the infrequently updated KEGG database. A total of 79 HPs essential for P. gingivalis were selected, and their molecular weights were determined. HPs were screened for metabolic pathway prediction, and the 3D structures of the proposed HPs were determined using homology modeling, and validation was performed. Only one HP (putative arginine deiminase) was qualified and found to be involved in the arginine and proline metabolic pathway.

Due to the environmental problems linked to the production of portland cement, the search for new more economic and non-polluting construction materials has become a current issue of interest. Geopolymers represent new types of “polymeric” materials of mineral nature. The aim of this work is to study the influence of the Na 2 SiO 3 /NaOH mass ratio and curing time on the mechanical and microstructural properties of fly-ash-based geopolymers GP-Fs. The samples were synthesized with different Na 2 SiO 3 /NaOH mass ratios (2.5, 4, and 6) and curing times (2, 12, and 24 h) at 60°C. The GP-F pastes elaborated were analyzed by scanning electron microscopy, Fourier transform infrared (FTIR) spectroscopy, and X-ray diffraction (XRD). The sample with the highest compressive strength and density and the lowest water absorption was produced with a Na 2 SiO 3 /NaOH mass ratio of 2.5 and a curing time of 24 h, which is GP1, as confirmed by FTIR and XRD analyses; in addition, it had a compact structure attributed to a higher pozzolanic reactivity. These optimized geopolymer pastes were studied to assess the durability test, evaluating the resistance to fire and acid attack. Fire resistance was assessed by heating the GP-F pastes to 800°C for 2 h, and acid resistance was studied by immersing specimens in a solution of 6% acetic acid (GP-F-CH 3 COOH) and 6% hydrochloric acid (GP-F-HCl) for 2 months. Physico-chemical and microstructural changes before and after heat and acid exposure were studied using several analyses. Samples exposed to an acidic environment display a completely porous shape with some micro-cracks, inducing a decrease of the residual compressive energy. FTIR analysis showed that the geopolymer gel deformed after heating to 800°C, and pores were formed in their structure due to evaporation of water.

Acute myeloid leukemia (AML) takes center stage as a highly prevalent and aggressive clonal disorder affecting hematological stem cells. FMS-like tyrosine kinase 3 (FLT3) mutations were prevalent in nearly 30% of the AML cases. However, efforts have led to the development of anti-mutant FLT3 drugs, such as midostaurin, gilteritinib, and quizartinib, to improve treatments. Currently, we are exploring the ability of compounds from anti-leukemic plants to be used in AML therapies, focusing on mutant FLT3 inhibition. Employing computational techniques such as drug-likeness assessment, molecular docking, pharmacokinetics properties profiling, molecular dynamics simulations (MDS), and free energy calculations, we identified 43 out of 57 compounds with oral drug potential. Notably, 7 out of 43 compounds, including flavopiridol, sanggenol Q, norwogonin, oblongixanthones A, oblongixanthones B, apigenin, and luteolin exhibited strong binding affinities ranging from −9.0 to −9.8 kcal/mol, surpassing the control drug gilteritinib (−6.3 kcal/mol). Notably, flavopiridol and norwogonin displayed highly favorable pharmacokinetics and low toxicity profiles. MDS confirmed the stability of their binding through parameters such as root mean square deviation, root mean square fluctuation, and radius of gyration ( R g ) over 100 ns simulations. Flavopiridol and norwogonin emerge as promising candidates for the development of mutant FLT3 inhibitors. Therefore, experimental studies are warranted to validate their therapeutic potential.

Natural substances extracted from plants have been increasingly studied and recognized, recently. Essential oils (EOs), for example, possess antioxidant and antibacterial properties, enabling their application across different sectors like agro-food, pharmaceuticals, and cosmetics. In Morocco, exceptional plant diversity, mirroring the diversity of ecosystems, has not yet revealed all its secrets. Therefore, the aim of this study is to determine the chemical composition and evaluate the antibacterial and antioxidant activities of EOs from Thymus zygis L. ssp. gracilis and Eucalyptus camaldulensis Dehnh. collected in the El Hoceima and Mamora regions, respectively. The EOs were extracted by hydrodistillation employing a Clevenger-type apparatus. Gas chromatography/mass spectrometry (GC/MS) analyses identified 54 constituents representing 92.65% of the total for T. zygis and 55 components representing 99.60% for E. camaldulensis . The primary components found in the EO of T. zygis are δ-terpineol (27.64%), followed by δ-3-carene (15.7%), thymol (14.17%), and dehydrolinalool (4.99%). The main compounds in E. camaldulensis EO are 1,8-cineole (43.61%), γ-terpinene (11.71%), α-terpineol (10.58%), and p -cymene (4.93%). The antioxidant properties of these oils were investigated by utilization of the 2,2-diphenyl-1-picrylhydrazyl method and the ferric reducing antioxidant power (FRAP) test. The antibacterial activity was assessed against two Gram-positive bacteria ( Staphylococcus aureus and Bacillus subtilis ) and two Gram-negative bacteria ( Micrococcus luteus and Escherichia coli ). Both EOs showed significant antioxidant activity but were less effective than reference antioxidants quercetin and catechin. Antibacterial studies demonstrated strong activity of T. zygis and E. camaldulensis EOs against the studied bacteria, as well as good inhibitory properties (minimum inhibitory concentration).

Breast cancer is the most common illness among women, accounting for 25% of all diagnoses, as stated by the American Cancer Society. Current research focuses on 43 compounds of styrylquinoline derivatives as potential inhibitors of tubulin to design a new drug that could potentially be effective against breast cancer cells in humans. The target compounds were subjected to a three-dimensional quantitative structure-activity relationship/comparative molecular similarity indices analysis (CoMSIA) approach, where CoMSIA models were used; the best results obtained are ( Q 2 = 0.84, R 2 = 0.97, r ext 2 {r}_{\text{ext}}^{2} = 0.91), H-bond acceptor field was discovered to be important for increasing inhibitory activity by examining the contour maps (54%), and it plays a key role in the prediction of anticancer activity. Based on the contour maps of the CoMSIA models, we obtained information that allows us to propose four new molecules with higher cancer inhibitory than the 43 compounds found in the literature. The molecular docking was applied to determine the likely types of binding between the tubulin protein (PDB ID: 4O2B) and the proposed compounds, and the results show that M1 has a higher total score of 6.53 and two interactions with important conventional hydrogen bond type, followed by compound M2 with a total score of 5.74. Furthermore, the designed molecules showed better pharmacokinetic properties based on absorption, distribution, metabolism, excretion, and toxicity properties. Molecular dynamics simulations at 100 ns were conducted to confirm the binding stability of the selected ligands (M1 and M2) with tubulin protein. The simulation parameters used in the current study are root mean square deviation, root mean square fluctuation, H-bond, Rg, solvent accessible surface area, and binding energy. As a result, the designed compounds (ligands M1 and M2) have shown noteworthy potential as a drug candidate for experimental in vivo and in vitro testing due to their potential inhibition of breast cancer. Finally, the study of retrosynthesis in this work facilitates the synthesis of drug candidates.

Influenza infection poses a significant threat to the existence of humans and animals. Its inhibition by secondary metabolites may proffer a lasting solution to its resistance to available synthetic therapeutic agents. In this study, we investigated the influenza neuraminidase (NA) inhibitory potential of naturally occurring C–O–C biflavonoids using integrated computational approaches. The molecular docking method was employed to identify biflavonoids with high binding affinities, and molecular dynamics simulation was performed for 100 ns to examine the stability, binding mode, and interactions elicited by the hit molecules in influenza NA-binding pocket. The bioavailability and pharmacokinetic properties of the hit biflavonoids were examined using swissADME. The molecular docking studies identified lophirone L, delicaflavone, lanaroflavone, pulvinatabiflavone, and ochnaflavone as the hit molecules with the binding affinity of −9.9 to −9.3 kcal/mol. The root means square deviation and root mean square fluctuation plots obtained from the molecular dynamics simulation showed that the selected biflavonoids were reasonably stable at the enzyme’s binding pocket. The ADMET studies showed that the top-ranked biflavonoids exhibit good pharmacokinetic and bioavailability properties. Furthermore, the density functional theory studies showed that the selected hit secondary metabolite possesses good pharmacological properties. Thus, the inhibitory activities of these compounds on viral neuraminidase could be helpful in the management of influenza infections.

This study utilized an inductively coupled plasma emission spectrometer (model ICPE-9000) to determine the concentrations of Mo, Hg, Cd, Be, Co, V, Se, Ti, As, Cr, Zn, Mn, Cu, Fe, Ni, and Pb elements in the soil samples, and estimate its ratio compared to the standard global percentages. Several indices were employed, including enrichment factors, pollution load index, and accumulation index. The concentration of heavy metals in the soil samples was below the average concentration found in the soil. However, there were exceptions for five minerals, Cd, Mo, As, Se, and Hg, which had concentrations exceeding the average. The potential contamination or elevated levels of these heavy elements in soil could have implications for plant growth and environmental quality. In the soil, the pH levels were from 5.1 to 6.4, with an average pH of 5.8, and electrical conductivity ranged from 2.14 to 7.89 µS/m. The highest total dissolved solids found in the Qassim region were 1,710 mg/L, and lower values were observed in the Medina region. Furthermore, this study noted a high concentration of Cl – anions, with the highest concentration of 283.9 mg/L in the soil of the Qassim region, indicating the presence of chloride ions in the soil. This study will provide great benefits to the agricultural community in Saudi Arabia regarding the metals and behavior of the soils concerning the crops.

This study aims to formulate and optimize Moringa oleifera ( Moringa ) oil oleogels using pectin (PC) and chitosan (CS) as gelling agents. These include monogelator oleogels, utilizing either PC or CS as a single gelling agent, and binary gelator oleogels, incorporating a combination of both PC and CS. Among the binary gelator oleogel compositions, the most stable oleogel OPCCS2 was further studied with the addition of antioxidants. The important antioxidant compounds of gallic acid equivalents (GAEs)/ Moringa antioxidant extracts (MAEs) were quantified by the use of various assays. The oil-binding capacity (OBC) of the most stable oleogel MCPC1.5% was 99.94 ± 0.05. The lower peroxide value of antioxidant-rich oleogels at 1.5% concentration of GAEs (4.34 ± 0.025) and MAEs (4.32 ± 0.03) suggested its richness of phenols to retard the lipid peroxidation of oil. The opaque appearances of the formulations were studied via polarizing light microscopy. The molecular interaction study through FTIR analysis revealed the hydrogen bond interactions between the carboxyl groups of fatty acids and hydroxyl groups of polysaccharide chains. The differential scanning calorimeter analysis further confirmed the presence of strong interactions between polysaccharide chains and the oil phase. These findings indicate that the optimized oleogel formulations have the potential for imminent advances by exhibiting improved texture, biocompatibility, enhanced OBC, and stability. Graphical abstract

Cyclophosphamide (CP) is a potent anticancer agent widely used to treat various malignancies and autoimmune diseases after organ transplantation. However, its therapeutic benefits are often accompanied by severe toxicity, primarily attributable to oxidative stress. In contrast, Moroccan honey, including varieties, such as thyme and thistle, is known for its multifaceted medicinal properties, including potent antioxidant activity. This study sought to investigate the protective potential of Moroccan honey against CP-induced genotoxic and cytotoxic effects in mouse bone marrow cells. The results revealed a significant increase in genotoxicity and cytotoxicity following CP administration (20 mg/kg), as evidenced by elevated micronuclei frequency and a reduced ratio of polychromatic to normochromatic erythrocytes. However, pretreatment with Moroccan honey (1 g/kg) for a duration of 6 days effectively attenuated these adverse effects. Furthermore, biochemical analysis demonstrated that mice receiving honey exhibited notable improvements in liver function, as indicated by decreased levels of alanine aminotransferase, aspartate aminotransferase, and uric acid. Histological examination revealed reduced hepatic damage characterized by diminished steatosis, apoptosis, necrosis, and inflammatory cell infiltration. These findings underscore the potential of thyme and thistle honeys, as a promising adjunctive therapy to mitigate the deleterious effects associated with CP treatment, offering potential applications in complementary chemotherapeutic strategies. Graphical abstract

This study investigates the chemical composition and potential medicinal properties of different fractions of Chenopodium ambrosioides using mass spectrometry. C. ambrosioides , commonly known as epazote, has been traditionally used in folk medicine for its purported health benefits. However, there is a lack of comprehensive understanding regarding its bioactive compounds and their physiological effects. Our study aims to fill this gap by analyzing the chemical constituents of three fractions of C. ambrosioides – CHF, BF, and AF – and assessing their antioxidant and antipyretic properties. The results reveal a diverse array of bioactive compounds in each fraction, including protocatechuic acid, vanillin, syringaldehyde, flavonoids, and phenolic acids, which are known for their pharmacological activities. Notably, the CHF fraction exhibits compounds linked to antioxidant effects, suggesting potential therapeutic applications in managing oxidative stress-related disorders. Furthermore, the AF and BF fractions also contain compounds with antioxidant properties, emphasizing the plant’s potential health benefits. In addition to chemical analysis, the study evaluates the antipyretic activity of these fractions using a murine model. Significant reductions in rectal temperatures are observed in groups treated with FB and FA fractions, indicating a potential role in modulating body temperature. Conversely, moderate effects are noted in the FCH and ethyl acetate fraction (EAF) groups, suggesting a milder response within safe limits. These findings underscore the importance of further mechanistic studies to elucidate the precise mechanisms underlying the observed effects and ensure the safe utilization of C. ambrosioides fractions in medicinal applications. By bridging the gap between traditional knowledge and scientific evidence, this study contributes to advancing our understanding of the therapeutic potential of C. ambrosioides and lays the groundwork for future research in this field. Graphical abstract

Sulfadiazine (SDZ) is a commonly used antibiotic in medicine, aquaculture, and animal husbandry. However, its misuse has resulted in its release into soil and water environments, posing a gradual threat to the environment and human health. In this study, cotton pulp, poplar sawdust, and corn stover were chosen as raw materials. Zinc chloride (ZnCl 2) was used as a modifier to prepare modified porous carbon through pyrolysis at different carbonization temperatures (400 and 800°C). The objective was to investigate the adsorption effect and mechanism of modified porous carbon on SDZ in aqueous environments, as well as the effect of different biomass fractions of the carbon source on the adsorption effect. The physical and chemical properties of the modified porous carbon were characterized by various means of characterization, and the results showed that the high temperature and modification effects made the adsorbent material possess a larger specific surface area and richer pore structure, higher aromaticity, higher degree of graphitization, etc., which would be beneficial for the adsorption of SDZ. Among them, CCPZ800 showed the highest saturation adsorption of SDZ, Q max = 425.45 mg/g. The adsorption experiments were carried out by changing the initial conditions and fitted with kinetic and isothermal adsorption to further explain the adsorption mechanism of modified porous carbon on SDZ in conjunction with the adsorption of SDZ by hydrothermal carbon materials. The results showed that the adsorption of modified porous carbon on SDZ conformed to the quasi-secondary kinetic and Freundlich isothermal adsorption models. Adsorption mechanism of SDZ on modified porous carbon followed a multimolecular layer adsorption, with chemical adsorption being the dominant process. Both physical adsorption and chemical adsorption occurred simultaneously, with the main adsorption mechanism being π–π conjugation. In addition, compositional distribution of biomass from different carbon sources results in variations in pyrolysis mode and pyrolysis products, which in turn affect adsorption. By analyzing the effect of variability in the composition of biomass on the adsorption effect of SDZ, it can be concluded that higher cellulose content in the carbon source leads to a better adsorption effect of SDZ. The study showcases the effectiveness of ZnCl 2 -modified porous carbon in removing SDZ from water, offering insights into the selection of raw materials for this adsorbent preparation.

In recent years, the service life of building materials has become the focus of attention. Among them, the service life of concrete and steel bars is particularly affected by the corrosion of external ions (such as Cl − ) in the environment. To solve this problem, a new type of composite nanocolloid was prepared through a controllable preparation method. The composite nanocolloid is prepared from aluminum chloride sol and silica sol as raw materials. The prepared colloidal particles have a particle size distribution between 10.5 and 17.5 nm, exhibiting excellent stability and dispersibility. In order to verify the improvement effect of the composite nanocolloid on the properties of building materials, the influence of it on the porosity of concrete and the anti-corrosion performance of steel bars was experimentally studied. The results indicate that the moisture absorption and dehumidification speed of concrete treated with composite nano colloids is slower, and the pore size distribution is mainly concentrated in 100–1,000 nm, indicating that the colloids can effectively optimize the pore structure of concrete. In addition, the processed steel plate samples showed high AC impedance values and low corrosion current logarithmic values in electrochemical testing, indicating that composite nanocolloids have a significant protective effect on the corrosion of steel bars, which can effectively improve the performance of building materials and extend their service life.

Taking chicken manure containing antibiotic oxytetracycline (OTC) as the research object, nano-Fe 2 O 3 with a concentration of 300 mg/kg TS and nano-C 60 with a concentration of 100 mg/kg TS as carriers were used for a 55-day sequential batch mesophilic anaerobic digestion experiment. The gas production performance, chemical parameters, antibiotic content, enzyme concentration, and resistance gene changes during anaerobic digestion were analyzed to clarify the effect of nanoparticles on anaerobic systems containing antibiotic chicken manure and provide a reliable basis for pollution reduction capacity of livestock and poultry manure. The results showed that (1) adding nano-Fe 2 O 3 and nano-C 60 promoted anaerobic gas production in chicken manure with different concentrations of OTC. The cumulative gas production from days 1 to 10 was 2,234(T5) > 2,163(T4) > 1,445(T2) > 1,289(T3) > 1,220(T1) > 1,216(CK) mL. The cumulative gas production of T4 and T5 increased by 77.29 and 83.11%, respectively. The final cumulative gas production for each group was 3,712(CK), 3,993(T1), 4,344(T2), 4,447(T3), 4,671(T4), and 4,849(T5) mL. The final OTC residue concentrations were 15.25, 20.40, 56.56, 17.67, and 16.89 μg/L, with degradation rates of 98.31, 98.80, 98.29, 99.07, and 99.11% respectively; (2) antibiotic OTC increased the activities of dehydrogenase, amylase, protease, and urease, while adding nanoparticles increased the activities of dehydrogenase and amylase, with no significant impact on cellulase, urease, and protease activities; (3) antibiotic resistance gene (ARGs) of various types were found in groups T2, T4, and T5, with the multidrug resistance gene (ARGs)-Multidrug accounting for a high proportion of 33.54, 35.63, and 37.43%, respectively, while the proportions of the other four types MLS, tetracycline, glycopeptide, and peptide ranged from 8.18 to 12.98%.

The frequency of lung infection induced by multi-drug resistant strains of Pseudomonas aeruginosa has significantly risen, primarily due to the inadequate effectiveness of powerful chemotherapeutic methods. This study demonstrates that the Ocimum basilicum aqueous extract and copper nanoparticles (CuNPs) exhibited significant antioxidant and anti-infectious properties under in vivo conditions. To analyze the characteristics of the CuNPs synthesized from the reaction between copper nitrate solution and the aqueous O. basilicum extract, various techniques such as energy dispersive X-ray analysis, field emission scanning electron microscopy, Fourier transform infrared spectroscopy, X-ray diffraction analysis, and transmission electron microscopy were employed. The in vivo study encompasses the assessment of P. aeruginosa lethal dose in mice and the disease manifestation analysis, which comprises reduction in body weight, hypothermia, bacteremia, and other parameters, over a 48 h infection period. The infected mice exhibited a notable decrease in body temperature, measuring at 25°C after 48 h, compared to the initial temperature of 39°C. Additionally, a 30% reduction in weight was seen at the conclusion of the study. To assess the effectiveness of CuNPs on lung infection caused by the calculated lethal dose and bacteremia, histopathology analysis was employed. The bacterial load in the CuNPs group was determined to be 0.5 Log10CFU/mL on Day 8, indicating a notable decrease from the initial measurement of 1.5 Log10CFU/mL on Day 1. The histopathological findings revealed a widespread and sporadic buildup of alveolar space inflammatory cells, with infiltrates observed throughout all lung sections in infected mice. Enhanced lung histology was observed in the group of animal treated with reduced exudates noted at 200 µg/kg. CuNPs demonstrated inhibitory effects on the growth of P. aeruginosa at 8 µg/mL, while at 16 µg/mL, they effectively eradicated P. aeruginosa . The research unequivocally demonstrates the efficacy of CuNPs extract in combating lung infections induced by P. aeruginosa at 200 µg/kg. The recent survey aims to further explore the biomedical characteristics of these CuNPs in order to develop a powerful treatment against this dangerous pathogen.

We developed a contemporary cardioprotective medication using silver nanoparticles (AgNPs) loaded with Spinacia oleracea to treat isoproterenol (ISO)-induced myocardial infarction in mice, focusing on the PPAR-γ/NF-κB pathway. The physicochemical techniques, such as Fourier-transform infrared spectroscopy, field emission scanning electron microscopy, ultraviolet–visible spectroscopy, and energy dispersive X-ray analysis, were employed to characterize the AgNPs. In the in vivo experiment, myocardial infarction was induced in mice by administering ISO subcutaneously at a dose of 40 mg/kg every 12 h for a total of three times. The mice were divided into five groups in a random manner: (1 and 2) ISO + AgNPs at varying doses (10 and 20 μg/mL) and time points; (3) ISO; and (4) control. Following the treatment, cardiac function was assessed through electrocardiogram, as well as biochemical and histochemical analyses. In the study, we examined the inflammatory reactions and cell death in human coronary artery endothelial cells exposed to lipopolysaccharide (LPS). The PPAR-γ/NF-κB activation by LPS and the resulting cytokine production were checked using real-time PCR and western blot techniques. The typical ST segment depression in myocardial infarction mice is significantly inhibited by the administration of AgNPs. Additionally, the treatment with AgNPs leads to a significant improvement in ventricular wall infarction, a decrease in mortality rate, and inhibition of myocardial injury marker levels. Furthermore, the application of AgNPs resulted in a decrease in the inflammatory environment within the hearts of mice with myocardial infarction. This effectively prevented the increase in TNF-α, IL-1β, and IL-6. The gene expression normalization of PPAR-γ/NF-κB/IκB-α/IKKα/β and PPAR-γ phosphorylation could potentially be linked to the advantageous impacts of AgNPs. In the context of an in vitro experiment, the administration of AgNPs demonstrated a notable decrease in cell death and inflammation cytokines expression inhibition. The myocardial infarction mice in the pre + post-ISO group appear to experience more noticeable cardioprotective effects from the treatment with AgNPs than those in the post-ISO group. Our research findings demonstrate that AgNPs possess cardioprotective efficacies in ISO-induced myocardial infarction. This beneficial effect may be attributed to the PPAR-γ activation and the NF-κB signaling inhibition. Consequently, our study presents a novel remedial approach for myocardial infarction treatment in clinical settings.

This study presents two alternative fluorescent nanoparticle-based oxytetracycline (OTC) detection methods in milk samples. Rhodamine 6G-coated fluorescent hybrid silica nanoparticles and fluorescent magnetic/silica nanoparticles functionalized with anti-OTC antibodies were used in this test. The sandwich test format was utilized to compare anti-OTC antibody-conjugated fluorescent magnetic/silica nanoparticles with OTC/OTC antibody-conjugated fluorescent hybrid silica nanoparticles in an Eppendorf tube with magnetic separators. The magnetic separator helps to quickly retain all of the OTC captured by fluorescent magnetic core–shell nanoparticles in the milk sample. As a result, the assay time was dramatically shortened. The obtained linear range was 1.34 × 10 −6 to 2.10 × 10 −8 (M) ( R 2 = 0.9954), the detection limit was 4.76 ng/mL, and the total assay time was 90 min. This approach was used to determine the OTC concentration in milk samples, and the maximum percentage (%) of interference was less than 3.0%, with a recovery rate of greater than 97.0%. This approach offers a high potential for residue detection in milk samples. With a total analysis period of less than 90 min, this approach provided the best way to determine the capture and detector nanoparticles’ response.

A modern cardioprotective drug was created by utilizing zinc nanoparticles (ZnNPs) containing curcumin to address isoproterenol-induced myocardial infarction in mice, with a specific focus on the PPAR-γ/NF-κB pathway. During the in vivo study, mice were subjected to myocardial infarction by subcutaneously administering isoproterenol at a dosage of 40 mg/kg every 12 h for a total of three administrations. The mice were randomly divided into five groups: (I, II) isoproterenol + ZnNPs at different concentrations (10, 40 μg/mL) and time intervals, (III) isoproterenol alone, and (IV) control group. Various physicochemical methods, including FT-IR, field emission scanning electron microscopy, X-Ray diffraction analysis, fourier-transform infrared spectroscopy and energy dispersive X-ray spectroscopy, were utilized to analyze and characterize the ZnNPs. The real-time PCR and western blot methods were used to examine the PPAR-γ/NF-κB activation by lipopolysaccharide (LPS) and the subsequent cytokine release. This research focused on investigating the inflammatory responses and cell apoptosis in human coronary artery endothelial cells treated with LPS. After the therapy, cardiac function was checked using an electrocardiogram, along with biochemical and histochemical analysis. The introduction of ZnNPs leads to a decrease in the inflammatory conditions present in the hearts of mice suffering from myocardial infarction. The use of ZnNPs not only enhances ventricular wall infarction but also reduces mortality rates and suppresses levels of myocardial injury markers. The usual ST segment depression observed in mice with myocardial infarction is markedly reduced when treated with ZnNPs. The mice with myocardial infarction in the pre + post-isoproterenol group seemed to experience more pronounced cardioprotective effects from the treatment with ZnNPs compared to those in the post-isoproterenol group. In an in vitro experiment, the use of ZnNPs resulted in a significant reduction in cell death and inhibition of inflammation cytokine expression. The gene expression normalization for PPAR-γ/NF-κB/IκB-α/IKKα/β and the phosphorylation of PPAR-γ could potentially be associated with the beneficial effects of ZnNPs. The rise in inflammatory responses was effectively prevented. The results of this study indicate that ZnNPs have cardioprotective efficacies on isoproterenol-induced myocardial infarction. This positive impact could be linked to the PPAR-γ activation and the NF-κB signaling inhibition.

Breast cancer is the biggest cause of death among women worldwide. Natural chemicals from medicinal plants offer promise for cancer therapy. This research screens 29 Dryopteris species plant-derived chemicals, mostly phloroglucinols, for breast cancer therapy potential. First, we used Gaussian09 and DFT/B3LYP/6-311+G(d, p) calculations to evaluate compound stability and reactivity. We conducted molecular docking experiments to identify drugs with high binding affinity for the PI3Kα protein’s active pocket. DJ1–DJ22 were found to be the most effective PI3Kα inhibitors, with energies ranging from −8.0 to −9.2 kJ/mol. From in silico pharmacokinetic and bioactivity screening, DJ3, DJ7, and DJ18 were identified as promising PI3Kα inhibitors. PI3Kα backbone stability was tested in a water model using molecular dynamics simulations employing DJ3, DJ7, DJ18, and Trastuzumab as a pharmacological reference. Synthesis of target-hit DJ3, DJ7, and DJ18 derivatives may lead to breast cancer drug-like molecules for related cancers. The work uses in silico methods to find natural phloroglucinols for breast cancer therapy, enabling new chemotherapeutic drugs.

This study aimed to comprehensively assess the phytochemical composition, employing gas chromatography–mass spectrometry (GC–MS) and reverse-phase high-performance liquid chromatography (RP-HPLC) analyses, molecular docking, ADMET analysis, and antioxidant activity evaluation, of three Solanum species ( Solanum forsskalii [SF], Solanum villosum [SV], and Solanum incanum [SI]) from the diverse flora of Saudi Arabia. Two solvents, hydro-methanolic (HME) and hydro-acetonic extract, were utilized for extraction, finding HME more efficient, especially for SV. GC–MS analysis identified diverse compounds, with palmitic acid, linoleic acid, methyl palmitate, cis -13-octadecenoic acid, and oleic acid as the main constituents. RP-HPLC quantified 12 phenolic compounds, identifying chlorogenic acid, rutin, and p -coumaric acid as abundant. Antioxidant assays showed HME extracts to be more effective in both diphenyl 1-picrylhydrazyl and ABTS assays, with SV exhibiting the strongest antioxidant effect, followed by SF and SI. Pearson correlation analysis indicated a positive correlation between phenolic content and antioxidant activity ( r = 0.6067–0.8927). Molecular docking simulations demonstrated robust binding energies between predominant compounds and Cyt-c, underscoring their potential as effective antioxidants. ADMET analysis showcased varied profiles, suggesting promising pharmaceutical prospects. This study explores the phytochemical profiles of these Solanum species, emphasizing their strong antioxidant capacity as natural sources of phenolic compounds, advancing our understanding of their promising medicinal applicability.

The purpose of the current study is to assess the chemical profile, antioxidant, antimicrobial, and insecticide efficacy of essential oil derived from the leaf of Moroccan Mentha aquatica L. (MA-EO) using in vitro and in silico analysis. Using GC-MS/MS analysis, 18 components of MA-EO were identified, including linalool (42.42%), α-elemol (10.45%), α-terpineol (8.07%), linalyl acetate (7.37%), and caryophyllene (4.05%). Additionally, MA-EO has a strong antioxidant capacity with IC 50 values of 0.64 ± 0.01 µg/mL using the DPPH assay and 0.167 ± 0.13 µg/mL using the ABTS test. Total antioxidant capacity activities were found to be 188.21 ± 0.31 mg EAA/g, while RP activities were 1.95 ± 0.023. The powerful antibacterial properties of MA-EO were proven to be effective against Escherichia coli and Candida albicans . MA-EO showed insecticidal potential using the fumigation experiment, with an LC 50 of 3.33 μL/L in the air after 24 h of exposure. At a dose of 20 µL/mL, MA-EO reduced fertility, fecundity, and emergence of adult C. maculatus . MA-EO had 95% mortality at the same dosage. In silico analysis revealed that the antioxidant activity of MA-EO is linked to γ-eudesmol, while its antibacterial efficacy is associated with phenol, 2,4-di-tert-butyl-, and its antifungal capacity with phenol, 2,4-di-tert-butyl-. MA-EO demonstrates potent bactericidal, fungicidal, and bioinsecticide properties, making it effective for controlling bacteria, fungi, and insect pests in stored grains.

Boerhavia elegans L. (Nyctaginaceae) is a tropical plant widely distributed in the eastern part of Yemen, Oman, and many other countries. B. elegans is used in traditional medicine to treat inflammation, anemia, and urinary tract disorders. The seeds, called Alhydawan, are used as food additives to prepare porridge, one of the most popular foods in Yemen. The present study aims to analyze the bioactive constituents of the methanolic extract of B. elegans seeds after fractionation on silica gel column chromatography. The methanolic extract was subjected to column chromatography and eluted with a hexane and hexane diethyl ether mixture of different compositions. The eluted fractions were tested with thin-layer chromatography. The gas chromatography-mass spectrometry analysis of fractions indicated some compounds such as dodecane, 2,6,11-trimethyl, butylated hydroxytoluene, 2,6,10-trimethyltridecane, hexadecane,2,6,11,15-tetramethyl, nonadecane, 2-methyl, 7,9-di-tert-butyl-1-oxaspiro(4,5) deca-6,9-diene-2,8-dione, n -hexadecenoic acid, octadecanoic acid, bis(2-ethylhexyl) phthalate, 13-docosenamide, ( Z )-, and phenol,2,4-bis(1,1-dimethyl ethyl) phosphite (3:1). Hence, B. elegans may have antimicrobial, anticancer, antioxidant, and antidiabetic activities due to the presence of secondary metabolites in the extract.

Corticotropin-releasing hormone receptors (CRHRs), also termed corticotropin-releasing factor receptors, are linked to G-protein-coupled receptor class. Corticotropin-releasing hormone (CRH) is medically significant in stress, immune response, gastrointestinal motility, and eating patterns. It serves as a releasing hormone and is encoded by the CRH gene. It has been established that there are two subtypes of CRHRs: CRH1-R and CRH2-R. These receptors, representing types 1 and 2, respectively, play a crucial role in regulating biological functions triggered by CRH. To treat stress-related gut abnormalities and stress-related disorders, regulation and optimization of CRH1-R and CRH2-R have turned into a novel idea. The three-dimensional (3D) structure of CRH is not completely recognized, and it is believed that the peptide key unit is helical and both the ultimate edges are relatively unsaturated. We can envisage its 3D structure from the amino acid order of a model protein by homology modeling procedures using Molecular Operating Environment and the Iterative Threading Assembly Refinement program. The assessment and authentication of the 3D structure were performed with RAMPAGE and ERRATE online servers. Utilizing the 3D structure of the target protein and predictions of its active site assists us in the development of new drug candidates aimed at treating disorders associated with stress. CRHR was docked with 19 CP376395 analogs acting as antagonists. Graphical abstract

Heart failure (HF) is a syndrome of symptoms and signs caused by cardiac insufficiency and have become a serious global health problem. The aim of this study is to clarify the role and mechanism failure of MIR17HG. We established the in vitro HF model by using H 2 O 2 -treated AC-16 and HCM cells, and the reactive oxygen species (ROS) level and natriuretic peptide precursor B (NPPB) expression were also detected. The RNA expression of MIR17HG, miR-153-3p, SIRT1, and NPPB were detected by quantitative reverse transcription PCR while the SIRT1 and NPPB expression were detected by western blot. The binding relationship among MIR17HG, miR-153-3p, and SIRT1 were assessed by dual-luciferase reporter assay and RNA binding protein immunoprecipitation assay. Then, MIR17HG and SIRT1 were overexpressed by lentivirus transfection, and the influence of MIR17HG and SIRT1 on H 2 O 2 -induced apoptosis mediated by p53 were evaluated. The results show that MIR17HG and SIRT1 were significantly downregulated, while miR-153-3p was significantly upregulated in HF model. Overexpression of MIR17HG reduced miR-153-3p and alleviated HF, while knockdown of SIRT1 weakened the effects of MIR17HG, suggesting that SIRT1 was the direct target of MIR17HG/miR-153-3p axis. MIR17HG is significantly downregulated in HF model. Our research shows that MIR17HG protects cardiomyocytes from ROS-induced damage via the MIR17HG/miR-153-3p/SIRT1 axis, suggesting that MIR17HG and SIRT1 are potential therapeutic targets in HF.

The identification of degradation products of therapeutic molecules in pharmaceutical formulations has gained significant attention due to their potential impact on patient safety. Ramipril (RP), an antihypertensive agent, was incorporated into a self-nanoemulsifying drug delivery system (SNEDDS), which greatly enhanced its bioavailability. However, none of the previous studies have investigated the toxicological effects of these degradation products that may form during storage. Moreover, a bioactive SNEDDS containing black cumin oil (BCO) and its bioactive ingredient, thymoquinone (TQ), was used to further enhance the therapeutic activity of RP. To assess the stability of the proposed formulation, a validated ultrahigh-performance liquid chromatography (UPLC) method was developed to simultaneously measure the concentrations of RP and TQ. The formulation was subjected to accelerated stress conditions to facilitate drug degradation. The resulting degradation products were analyzed using mass spectroscopy (MS) to determine their molecular mass, and their chemical structures were in silico predicted using Zeneth Nexus software, while their toxicity was assessed using in silico Derek Nexus software. RP and TQ, along with their degradation products, were separated using an HSS T3 column at a flow rate of 0.25 mL/min. The detection wavelengths for RP and TQ were 210 and 254 nm, respectively. The developed UPLC method exhibited acceptable linearity for both RP and TQ, with correlation coefficient ( r 2 ) values exceeding 0.9995 and 0.9998, respectively. The method provided accurate, precise, and high-resolution analysis of both drugs and their degradation products within a short run time of less than 3.2 min. The toxicity and mutagenicity of two alkaline degradation products of RP were predicted using in silico software Derek Nexus (version 6.3). Several toxicity endpoints, including chromosomal damage, skin sensitization, and hepatotoxicity, were predicted. Overall, the developed method can be used to evaluate the stability and integrity of RP and TQ during the development of the proposed antihypertensive formulation. Graphical abstract

Curcuma longa is a popular plant around the world with various applications in food and medicinal aspects. An investigation has been conducted on the formulation of Ag/Cu nanocomposite by C. longa as a natural stabilizing agent, without the use of any toxic or harmful reagents. This bio-inspired approach is focused on applicative, facile, and green chemical research. The study also explored the potential of Ag/Cu nanocomposite to prevent dental bacteria growth and prevent adherence in vitro . The biomediated Ag/Cu@ turmeric NCs were characterized by advanced physicochemical techniques. The FE-SEM imaging has established that Ag/Cu@ turmeric has a semi-spherical shape (60.92 nm). The crystallinity of nanocomposite has been confirmed by the XRD technique. Subsequently, the biological activity of the Ag/Cu nanocomposite functionalized with biomolecules was examined. The concentration of 1,000 µg/mL showed the most effective minimum inhibitory concentrations (MICs) against Porphyromonas gingivalis and Streptococcus mutans (MIC  =  16 µg/mL) during the investigation. The addition of Ag/Cu nanocomposite (MIC  =  32 µg/mL) significantly hindered the S. mutans in vitro adherence. According to the findings of this research, Ag/Cu nanocomposite could potentially serve as an effective oral hygiene agent for managing periodontopathic and dental caries conditions.

New transferable parameters for polytetrafluoroethylene (PTFE) compatible with the Assisted Model Building with Energy Refinement (AMBER) force field were developed by including many conformational states to improve accuracy. The Austin–Frisch–Petersson functional with dispersion hybrid density functional theory, advantageous for treating dispersion, was used to obtain quantum mechanical reference data. The restrained electrostatic potential method was used to compute the partial charges. The bonds, angles, and dihedral parameters were obtained via Paramfit software fitted to quantum mechanical data. The optimization of van der Waals parameters was obtained in the condensed phase through molecular dynamics simulations and the simplex method. These parameters were transferred to various molecular weights of PTFE assembly systems to calculate the density, radial distribution functions, power spectrum, and specific heat capacity. The highest percent error in density was 1.4% for the modeled PTFE ensembles. The calculated vibrational spectrum peaks closely matched experimental peaks with a maximum wavenumber deviation of 19 cm⁻¹. The highest percent error to specific heat capacity was 5%. These results represent a significant improvement over pre-existing potentials in the literature and provide parameters that can be used to model PTFE in many existing simulation codes.

In recent years, researchers have been utilizing nanotechnology more and more to study diabetic complications, with a particular emphasis on prevention and treatment. In this investigation, we analyzed the effects of Acroptilon repens extract on iron nanoparticles (FeNPs), which demonstrated significant anti-diabetic characteristics both in living organisms and in laboratory settings. To assess the effectiveness of the FeNPs produced through the interaction of iron salt solutions stabilized by A. repens extract, we utilized a range of methodologies. The FeNPs were manufactured in a spherical shape, ranging in size from 10 to 60 nm. During the in vivo experiment, gestational diabetes was induced through streptozotocin (STZ) intraperitoneal injection. The animals were then categorized into four groups: FeNPs-60 μg/kg group, FeNPs-120 μg/kg group, normal pregnancy group, and gestational diabetes mellitus group ( n = 10). FeNPs were administered intragastrically for 25 days. On the final day, the levels of ALP, AST, ALT, and blood glucose in the serum samples were assessed. Following tissue processing, 5 μm liver sections were prepared and the overall volume of the hepatic arteries, bile ducts, central vein, portal vein, sinusoids, hepatocytes, and liver, were approximated. FeNPs have the potential to reduce the elevated levels of ALP and AST enzymes. In gestational diabetes rats, the administration of FeNPs lead to a decrease in blood glucose levels. The administration of STZ significantly increased the volume of sinusoids and hepatocytes. However, after the treatment with a high dose of FeNPs, there was a notable decrease in their volume. In contrast, the volume of the bile ducts and portal vein remained unchanged in the experimental groups. Nevertheless, the volume of the hepatic arteries and central vein exhibited changes due to the presence of FeNPs. The current study showcases the hepatoprotective and anti-diabetic characteristics of FeNPs, providing a potential option as a supplement to prevent gestational diabetes mellitus while also offering hepatoprotective benefits.

This study aimed to develop four adsorbents, neat and activated, from the cardoon leaves and stems. The developed adsorbents were first analyzed to determine the surface acid–base properties using Boehm’s method, pH at zero charge point, iodine and methylene blue values, and moisture, ash, and fixed carbon contents. They were also characterized by scanning electron microscopy coupled with energy-dispersive X-ray analysis, X-ray diffraction, Fourier transform infrared absorption spectroscopy, thermogravimetric analysis, and inductively coupled plasma atomic emission spectroscopy. After that, these adsorbents were applied for adsorption of an organic dye “brilliant green” (BG), and the effect of various parameters on the adsorption efficiency was evaluated. The obtained results revealed the differences between the adsorbents derived from the neat cardoon leaves and stems and their activated carbon in terms of properties and BG adsorption efficiency.

The goal of the proposed work was to create and verify a fast, sensitive, greener, and stability-indicating high-performance liquid chromatography (HPLC) method to quantify chlorhexidine acetate (CHDA) in commercial products. The developed method was validated for numerous validation metrics and greenness. The greener mobile phase was made up of a ternary mixture of ethanol, water, and glacial acetic acid (50:49:1 v/v/v). CHDA was detected at a wavelength of 265 nm. The developed HPLC method showed a coefficient of determination of 0.9981 and was linear in the 1–100 µg/mL range. In addition, the developed method for CHDA analysis was rapid, accurate, precise, robust, and sensitive. The outstanding greenness profile was indicated by the derived values of the Analytical Eco-Scale, ChlorTox, and AGREE scales for the current approach, which are 89, 0.74 g, and 0.77, respectively. With its breakdown products present, the proposed analytical approach was still able to identify CHDA, demonstrating its selectivity- and stability-indicating qualities. Two distinct commercial products, A and B, were found to contain 1.96 and 2.05% w/v of CHDA, respectively. These results revealed that CHDA in commercially accessible products can be routinely standardized and quantified using the proposed HPLC approach. Graphical abstract

Selenium (Se) is an essential trace element for humans. The Ankang tea plantation area in China is the best place for producing high-quality and Se-enriched organic tea. However, accumulation of potentially toxic elements (PTEs) in soil and tea leaves has attracted a lot of attention. Therefore, in this research, the content status of Se and five PTEs (As, Cd, Cr, Hg, and Pb) in soil and tea leaf samples collected from 88 Ankang tea plantations was studied. Results showed that the average Se content was 0.17 mg kg − 1 and the Se-enrichment rate was 25% for the 88 tea leaf samples, and As, Cd, Cr, Hg, and Pb contents in all tea leaf samples met the Chinese standard for pollution-free tea except for 11.2% excess Cr in only one sample. Cd concentrations in 56.82% soil samples exceeded the Chinese risk screening value for soil contamination of the agricultural land, and therefore the pollution degree of Cd is high in these soil samples. Moreover, the Hakanson potential ecological risk assessment of soil As, Cd, Cr, Hg, and Pb indicated that the Ankang tea plantation area was at a medium potential ecological risk level. These results will provide theoretical support for ecological risk management and safe production of Se-enriched tea in Ankang Se-enriched tea plantations.

Concerns about pollution and global warming have grown in recent years. Efficient coal use is critical for reducing the environmental toll of fossil fuel consumption. This study aims to examine how transition metal chlorides affect the burn-off rate and thermal conversion efficiency of bituminous coal with a high ash content. The analytical methods used include proximate, thermo-gravimetric, morphological, and pyrolysis analyses. This research examined the effect of change in the carbonization temperature, carbonization time, and catalyst concentration on the thermal degradation of high-ash bituminous coal impregnated with ZnCl 2 . At various ratios, zinc chloride solution was adsorbed onto the coal surface. The treated coal was then heated at different temperatures ranging from 510 to 710°C, under atmospheric pressure, in a furnace without air. This process was carried out to enhance the rate of burnout or pyrolysis. The response surface approach reveals that the carbonization time is a crucial input parameter, followed by the carbonization temperature and catalyst concentration. The response surface methodology analysis yielded a coefficient of determination of 0.9734.

Cashew apple is a source of by-products in the cashew industry. Powder products provide convenience to the process of use, transport, and preservation of nutrients. In this study, the production of soluble powder from cashew apples was developed through the investigation of hydrolysis process (time, temperature, and enzyme tannase) and convective drying conditions (temperature and maltodextrin content). The following indicators are evaluated, such as the total polyphenol content (TPC), total tannin content, total ascorbic acid, solubility, turbidity, and color. The results have shown that TPC increased by 1.67 times, and more than 50% of tannins was removed after the hydrolysis process. At the same time, the efficiency of the process over 30% under all processing conditions was evaluated. These results are the foundation for the development of cashew apple powder and related products, thereby improving the economy of the cashew industry in Vietnam and the world.

Dried lemongrass (DLG) herb is high in total phenolic compounds (1,388 mg gallic acid equivalent/100 g), antioxidant scavenging activity (57.88%), and dietary fibers (19.61%), and it also imparts lemon flavor, minerals, and several health benefits. Therefore, it is considered a cost-effective and functional ingredient for various food systems. A trial was conducted to incorporate DLG into a functional low-fat lemon frozen dessert as a fat mimetic and to assess its impacts on physicochemical, rheological, total phenolic compounds, antioxidant scavenging activity, sensory properties, and production costs. A control full-fat frozen dairy dessert (FFD) with 6% fat was prepared for comparison. DLG was added to a low-fat frozen dessert (LFD) with 1% fat at ratios of 0, 0.5, 1.0, and 1.5%. Results showed that FFD had higher rheological characteristics, melting resistance, production costs, and sensory properties compared to LFD. The use of DLG increased mix specific gravity, freezing point depression, apparent viscosity, consistency coefficient index, overrun, total phenolic compounds, and antioxidant scavenging activity while decreasing the pH value compared to LFD. Adding 0.5–1.0% DLG to LFD significantly improved overall acceptability and reduced production costs by 23.80 and 18.56%, respectively. The functional LFD with 0.5–1% DLG achieved comparable quality characteristics to the full-fat treatment. Graphical abstract Methodology of functional low-fat frozen dairy dessert production, FFD: full-fat vanilla frozen dairy dessert with 6% fat to serve as a control, LFD: low-fat vanilla frozen dairy dessert (1% fat), T1: as low-fat frozen dairy dessert (1%) supplemented with 0.5% dried lemongrass (DLG), T2: as low-fat frozen dairy dessert (1%) supplemented with 1% DLG, T3: as low-fat frozen dairy dessert (1%) supplemented with 1.5% DLG.

Pseudomonas aeruginosa causes many infections worldwide. Multidrug-resistant bacteria are mostly watched in hospital-acquired infections and are linked with high mortality rates. This study aims to find a possible cure for P. aeruginosa by using an additive and synergistic combination of drugs. The Carbapenem-resistant P. aeruginosa were isolated and identified by using clinical and laboratory standards institute protocols and their antibiotic susceptibility testing was performed by using disc and well diffusion method. In computational analysis, all of the ligands and proteins were selected and docking was done using PYRX. Hundred samples were taken of isolated Gram-negative bacteria of which 25% were P. aeruginosa . Additive combinations (meropenem [MPM] + tobramycin [TOB] was 100% sensitive and imipenem + TOB was also 100% sensitive) and synergistic combinations (MPM + ciprofloxacin were 90% sensitive and amikacin and imipenem) were 100% sensitive according to CLSI protocol. In computational analysis, TOB gave the highest binding energy of −11.4, whereas MPM shows a binding energy of −9.3. In conclusion, Additive and synergistic combination of drugs showed good antibacterial activity against Pseudomonas aeruginosa . Hence it can be used as a good treatment option for P. aeruginosa.

The development and creation of innovative therapeutic supplements and medications with extraordinary efficacy for addressing severe diabetes are of utmost importance to both developing and developed nations. A bio-inspired method has been documented for producing copper nanoparticles (CuNPs) using Pistacia atlantica leaf extract as a natural stabilizing agent. This approach is applicable, easy, and environmentally friendly, as it avoids using any toxic or harmful reagents. The CuNPs that were synthesized through biological processes underwent characterization using sophisticated physicochemical methods such as energy-dispersive X-ray spectroscopy, transmission electron microscopy, field emission-scanning electron microscopy, and Fourier-transformed infrared spectroscopy. It is confirmed that CuNPs exhibit a spherical structure, with an average size ranging from approximately 30 to 70 nm. Diabetes was induced in vivo through a fructose-enriched diet combined with streptozotocin. Half the subjects were administered CuNPs (100 µg/kg) via oral gavage. In contrast to the animals that were given regular food, the diabetic animals revealed an increase in serum fasting glucose level and a decrease in glucose tolerance. The administration of CuNPs had a significant impact on reducing glucose intolerance and fasting hyperglycemia. Additionally, it helped alleviate the negative effects of diabetes on cardiac output and work. Furthermore, utilizing CuNPs effectively hindered the rise in cardiac signal transducer and activator of transcription 3-phosphorylation caused by diabetes. The findings from this investigation provide evidence of the therapeutic benefits of CuNPs in mitigating diabetes-induced cardiac dysfunction in rats.

The current study attempted to synthesize methoxy-substituted Schiff’s bases, namely MK1 and MK2, and evaluate their antidiabetic effects using in vitro , in vivo , and molecular docking studies. Experimental animals (rat model) received the synthetic compounds, MK1 and MK2, orally in doses of 25 and 50 mg/kg body weight, respectively. When comparing compound MK2 at the tested doses to glibenclamide on day 28, the diabetic rats’ blood glucose levels were nearly normal (139.02 and 121.23 mg/dL at 25 and 50 mg/kg body weight doses). The IC 50 for MK1 against α-glucosidase inhibitory potential was found to be 281.29 μg/mL, while for MK2, it is reported to be 204.69 μg/mL. Furthermore, the acute toxicity, lipid profile, and its effect on blood biochemical parameters were also examined. In addition, through in silico analysis, the binding of MK1 and MK2 was elucidated with α-glucosidase enzyme, showcasing its antidiabetic mechanism at molecular levels. The in silico studies also predicted the two compounds to be inactive toward the human hERGs cardiac potassium channel, which indicates no potential risk of cardiac toxicity. Overall, the toxicity predictions suggest that compounds MK1 and MK2 are non-toxic and non-carcinogenic. Graphical abstract

Seseli yunnanense appertains to the Apiaceae family. S. yunnanense is known as an herbal remedy to treat several illnesses in Chinese traditional medicine. In this research, the essential oil (EO) of the aerial part of S. yunnanense (SYEO) was isolated by hydro-distillation apparatus. The chemical composition of the volatile oil was recognized using Gas chromatography (GC)/flame ionization detector and GC-Mass spectrometry methods. 1,1-Diphenyl-2-picrylhydrazyl and MTT assays were carried out to investigate the antioxidant and anti-melanoma cancer activity of the oil. The chromatography results showed SYEO was dominated by sesquiterpenes of α-bisabolol 40.19%, β-eudesmol 13.12%, and the phenolic compound eugenol 12.06%. SYEO scavenged the free radical of DPPH by IC 50 of 454.66 ± 7.25 μg/mL. In the MTT assay, SYEO showed a dose depending on the viability of the melanoma cell lines of HMV-II, SK-ML-2, G-361, and HT144. The highest activity was obtained against the HMV-II cell line with IC 50 of 116.82 ± 2.34 μg/mL. The cytotoxicity of SYEO was examined against HUVEC cell lines. The results exhibited the safety of EO for the human normal cells. The results showed the EO of S. yunnanense is a potent agent for treating melanoma cancer.

Alkaline serine proteases (ASPs) and laccases (Lacs) have been reported to possess several industrial applications, particularly in the food, cosmetic, and leather industries. Thus, in the present study, eighteen natural biopolymers, including agar, agarose, alginate, kappa carrageenan, cellulose, chitosan pentamer, chitosan oligosaccharide, chondroitin sulfate, dextran, fucoidan, heparin, hyaluronan, lignin, mannan, pectin, phytic acid, pullulan and starch soluble, were studied for their docking behavior, such as subtilisin-like alkaline serine protease (SLASP) KP-43 and Bacillus subtilis laccase (Bs Lac), using the SwissDock method. Additionally, the toxicity toward honey bees and human liver was determined by utilizing the free Bee-Tox and pkCSM web servers, respectively. Bee-Tox analysis demonstrated that four ligands (namely, agar, cellulose, lignin, and pullulan) exhibited acute oral toxicity toward honey bees ( Apis mellifera ). The docking study revealed that chitosan pentamer and lignin exhibited maximum binding energies of −9.67 and −11.37 kcal/mol against the target proteins SLASP (KP-43) and Lac (Bs Lac), respectively. Interestingly, in the present study, agarose was shown to interact with the His68 and Ser255 amino acid residues of SLASP (KP-43) from KSM-KP43 Bacillus sp. Thus, the current investigation showed the potential of eighteen natural biopolymers as immobilizing agents to prepare ASP and Lac nanoparticles for biomedical applications. Graphical abstract

The treatment of the various infections caused by Staphylococcus aureus has become challenging due to the evolving resistance against current therapeutics. In this study, the potentials of napthyridine and oxadiazole derivatives to serve as dual inhibitors of penicillin-binding protein 2a (PBP-2a) and FemA protein, which are crucial to resistance to methicillin-based drugs by S. aureus , were evaluated using molecular modeling techniques. Seventy-two compounds were subjected to molecular docking against the proteins, and the hit compounds were subjected to drug-likeness evaluation and in silico pharmacokinetics prediction. The compounds with good safety profiles were subjected to a 250-ns molecular dynamics (MD) simulation and other relevant analyses based on the MD trajectories. Five hit compounds were selected based on their high affinity for the targets as evidenced by their docking scores ranging from −8.6 to −10.1 kcal/mol for PBP-2a and −9.6 to −9.9 kcal/mol for FemA. These compounds also passed Lipinski’s rule of five evaluation with no violation and possessed high human intestinal absorption potential, showcasing their potential as orally administered therapeutic agents. However, three of the compounds were potential mutagens. MD simulation revealed that the final two compounds maintained stable interactions with the target proteins over 250 ns, with minimal deviations and fluctuations. Hydrogen bond stability and energy decomposition analysis further confirmed the strong binding affinity of the hit compounds compared to the control drug, methicillin. Conclusively, the compounds with the CID “135964525” and “44130718” are worthy of further experimental validation in the development of potential inhibitors of PBP-2a and FemA.

The rising instances of drug resistance in Mycobacterium tuberculosis strains pose a significant global health challenge. Conventional tuberculosis (TB) treatments, which typically involve multiple antibiotics, face hurdles like drug resistance, reduced effectiveness, and heightened toxicity. Consequently, there is a pressing need for innovative anti-TB agents with new modes of action. Decaprenyl-phosphoryl-β- d -ribose 2′-epimerase 1(DprE1), a crucial enzyme in Mycobacterium tuberculosis , plays a vital role in cell wall biosynthesis – a critical aspect for the bacterium’s survival. Building on the success of diarylquinolines like bedaquiline, targeting DprE1 presents a promising avenue for developing anti-TB drugs, especially against drug-resistant strains. Our research focused on discovering novel DprE1 inhibitors using a ligand-based drug design strategy, starting with the established non-covalent inhibitor Ty38c. We assembled a library of 16 molecules, modifying them based on factors like drug-like properties, chemical accessibility, and synthetic feasibility. Molecular docking analyses of this library identified three molecules with binding affinities comparable to Ty38c. Among these, KS_QD_05 and KS_QD_04 are promising candidates, which were further validated through molecular dynamics simulation studies where root-mean-square deviation (RMSD) values of all three complexes reached a plateau, measuring around 0.3 nm, indicating that the apoprotein and all complexes stabilized during the simulation. The ligands KS_QD_04 and KS_QD_05 displayed significantly stable deviation. KS_QD_05 reached about 0.1 nm equilibrium value. However, the ligand KS_QD_04 reached an RMSD value of 0.17 nm and showed distress at 70 nm. KS_QD_04 and KS_QD_05 showed an average value of 1-3 H-bond interaction and regarding the RMSF values, both the compounds showed fluctuations less than 0.5 nm in the case of Mtb. DprE1 enzyme. This indicates the potential of both compounds to become lead compounds in the pursuit of DprE1 inhibitors for TB treatment.

An examination and study were carried out in order to investigate the beneficial advantages of Drimia maritima aqueous and hydroalcoholic extracts (DmAE/DmHE). The chemical profile was determined using rapid ultrahigh performance liquid chromatography–electrospray ionization tandem mass spectrometry analysis, revealing the presence of 31 bioactive components. Four different methodologies were employed to conduct a series of antioxidant testing. The DmAE and DmHE have exhibited a noteworthy antioxidant capacity, as evidenced by their significant half maximal inhibitory concentration values across several activities, comparable to the performance of DmAE. However, D. maritimia does not exhibit any reduction in power activity. Furthermore, a notable suppression of the critical enzyme (urease), which serves a role in various health conditions, including hyperpigmentation and pathological functional abnormalities, was discovered for the first time. A significant inhibition of the urease enzyme was observed for DmAE at a value of 122.04 ± 1.42. D. maritima had strong sun protection properties and demonstrated effective anti-inflammatory effects. The pharmacological activities of DmAE and DmHE were also conducted in vivo using analgesic and anti-inflammatory tests, and the oral toxicity was determined in accordance with the Organisation for Economic Cooperation and Development 425 Guideline. Intoxication symptoms were not observed in any of the treated animals following oral administration of DmAE and DmHE at 2,000 mg/kg. Conversely, the oral administration of DmAE and DmHE at varying concentrations inhibits the development of paw edema at different concentrations, which results in a substantial reduction in the acetic acid-induced writhing test. Chemical and spectroscopic investigation of D. maritima flowers resulted in the isolation of sucrose, and it was never isolated in this plant species and Scilliphäosidin-3- O - β - d -glucoside, using proton nuclear magnetic resonance and carbon 13 nuclear magnetic resonance spectroscopy. As indicated by these findings, D. maritima has the potential to be utilized in a wide range of applications, including as a nutritional supplement, as an alternative treatment for a variety of physiological conditions and pathologies, and as a preventive and healing agent.

Nowadays, the physiopathological and molecular mechanisms of multiple diseases have been identified, thus helping scientists to provide a clear answer, especially to those ambiguities related to chronic illnesses. This has been accomplished in part through the contribution of a key discipline known as bioinformatics. In this study, the bioinformatics approach was applied on four compounds identified in Centaurea tougourensis , using two axes of research: an in silico study to predict the molecular characteristics, medicinal chemistry attributes as well as the possible cardiotoxicity and adverse liability profile of these compounds. In this context, four compounds were selected and named, respectively, 2,5-monoformal-l-rhamnitol (compound 1), cholest-7-en-3.beta.,5.alpha.-diol-6.alpha.-benzoate (compound 2), 7,8-epoxylanostan-11-ol, 3-acetoxy- (compound 3), and 1 H -pyrrole-2,5-dione, 3-ethyl-4-methyl- (compound 4). The second part looked into molecular docking, which objective was to evaluate the possible binding affinity between these compounds and the serotonin 5-hydroxytryptamine 2A (5-HT2A) receptor. Results indicated that compounds 1 and 4 were respecting Pfizer and giant Glaxo-SmithKline rules, while compounds 2 and 3 exhibited an optimal medicinal chemistry evolution 18 score. The structural and molecular features of almost all tested compounds could be considered optimal, indicating that these phyto-compounds may possess drug-likeness capacity. However, only compounds 1 and 4 could be considered non-cardiotoxic, but with a level of confidence more pronounced for compound 1 (80%). In addition, these four biocompounds could preferentially interact with G protein-coupled receptor, ion channel, transporters, and nuclear receptors. However, the heat map was less pronounced for compound 2. Data also indicated that these four compounds could possibly interact with serotonin 5-HT2A receptor, but in an antagonistic way. This research proved once again that plants could be crucial precursors of pharmaceutical substances, which could be helpful to enrich the international pharmacopoeia.

Solubility enhancement of poorly aqueous-soluble drugs, like Terbinafine (TBN), is a critical challenge in formulating effective dosage forms. This study focused on developing β-cyclodextrin (β-CD) and polyacrylamide (PAM)-based microgels to address the solubility issue of TBN, classified as a biopharmaceutics classification system class II drug. The microgels were crafted through free radical polymerization, employing methylene bisacylamide as a cross-linker and methacrylic acid as a monomer, initiated by ammonium persulfate. Comprehensive characterizations, including Fourier transform infrared, thermo-gravimetric analysis, differential scanning calorimetry, scanning electron microscopy, powder X-ray diffractometry analysis, Zeta size, and Zeta potential, were conducted. In vitro studies, such as drug release and swelling, were performed at pH 1.2. Toxicity analysis in rabbits revealed zero toxicity. These β-CD/PAM microgels successfully enhanced the solubility of TBN.

In this study, zinc oxide-based nanocatalysts were biosynthesized using Ocimum basilicum (OB) and Olea africana (OA) leaf aqueous extracts, termed OB-ZnO and OA-ZnO, as a simple, affordable, and environmentally friendly approach. Their characteristics and efficacy in photodegrading cationic dyes (crystal violet and methylene blue) and anionic dyes (methyl orange and naphthol blue black) were investigated. The catalyst’s properties were analyzed using various techniques, including Fourier transform infrared, X-ray diffraction, photoluminescence, thermogravimetric analysis, UV-Vis, transmission electron microscopy, energy-dispersive X-ray spectroscopy, and Brunauer–Emmett–Teller. Analysis revealed pure products having a hexagonal wurtzite structure, crystallite sizes of 15.04 and 21.46 nm, surface areas of 23.65 and 7.97 m 2 /g, particle sizes of 35 and 170 nm with spherical (uniform) and oval-like (non-uniform) shapes, and optical bandgaps of 3.15 and 3.05 eV, respectively. Photocatalytic applications under sunlight indicated excellent activity of both catalysts against targeted cationic and anionic dyes. Most notably, even though OA-ZnO has a lower surface area than OB-ZnO, it demonstrated greater efficiency. The variation in effectiveness is explained by the lower bandgap value of OA-ZnO and its ability to reduce electron–hole recombination due to its larger crystal size, which accelerates the degradation process. Additionally, both catalysts exhibited high stability after being used four times.

Young children are attracted to flavored foods with enhancers, particularly monosodium glutamate (MSG). Experimental studies have proven that MSG can alter the hypothalamic–pituitary–adrenal (HPA) axis response in neonates. We, therefore, investigated the modulation of microRNAs (miRNAs) by dietary MSG and its association with the stimulation of the HPA axis and inflammatory response in young male rats. One-month-old male rats were fed chow enriched with MSG (3 g/kg) for 16 weeks. Feeding MSG to rats markedly up-regulated hypothalamic miR-218, Toll-like receptors-4, and nuclear factor-kB but down-regulated miR-155 and glucocorticoid receptors (GR). In addition, it triggered a remarkable elevation in adrenocortical lipid peroxidation and depletion of antioxidants. These changes were coupled with increased plasma levels of the HPA axis hormones, comprising corticotropin-releasing hormone, adrenocorticotropic hormone, corticosterone levels, and serum pro-inflammatory cytokines. Taken together, current findings indicated that MSG caused an activation of the HPA axis, a down-regulation of GRs, and a systemic inflammatory response. These disturbances were associated with modulating hypothalamic miRNAs, encompassing miR-218 and 155. Graphical abstract

Nowadays, climate changes induce deviations in the composition of honey varieties characteristic of a specific geographic region. Therefore, according to Codex Alimentarius for honey, the slight variations in values of determined parameters cannot be strictly regarded as a sign of its adulteration. Here, modified methods are presented for preparing honey samples for inductively coupled plasma-optical emission spectroscopy (ICP-OES) analysis and the high-performance liquid chromatography (HPLC) method to use them as fast and reliable methods in the food industry. ICP-OES analysis suggested that all analysed honey samples are natural, and HPLC-DAD (diode-arrray detection) analysis on the flavonoids showed that one sample is probably not natural. Invertase activity showed an overlap with this HPLC-DAD finding but suggested more samples as possibly adulterated, which can be neglected due to possible thermal treatment of those natural samples, causing a decrease in invertase activity. Therefore, results obtained from the analyses of investigated honey samples based on the mineral content, number, and quantity of flavonoids, together with the invertase activity, indicated that the combination of analyses could be a reliable tool for determining the quality of honey samples.

Mosquitoes are rapidly advancing as vectors of several severe diseases. The increasing resistance of mosquitoes and the environmental harm caused by insecticides pose significant challenges for eradicating mosquito vectors. In this study, 18 plant extracts were tested for larvicidal properties against Aedes aegypti, Culex quinquefasciatus , and Anopheles stephensi larvae. Phyllanthus niruri (Pn) showed enhanced larvicidal activity in both laboratory and field trials. The biosynthesis of silver nanoparticles (AgNPs) using Pn leaf methanol extract (Pn-LME) was confirmed by UV-visible spectroscopy, X-ray diffraction, transmission electron microscopy, scanning electron microscopy, and Fourier-transform infrared spectroscopy. Among various concentrations, 3 mM AgNPs exhibited significant LC90 values of 0.83, 1.46, and 9.11 ppm compared to 9.25, 93.48, and 14.60 ppm of Pn-LME against A. stephensi , C. quinquefasciatus , and A. aegypti , respectively. This indicates the high mortality of mosquito vectors at low AgNP concentrations. Additionally, Pn-AgNPs showed enhanced antibacterial activity and no cytotoxicity in normal fibroblast cells (L929). Field trials demonstrated a 98.70% decrease in mosquito larval density at A. stephensi breeding sites, a 96.55% reduction at C. quinquefasciatus sites, and a 97.85% reduction at Ae. aegypti sites. This study presents an eco-friendly and cost-effective AgNP bio-pesticide synthesized from Pn leaves for controlling and preventing the transmission of filarial, dengue, and malaria vectors.

Sepsis is a severe reaction of the body to an infection, presenting a critical medical crisis. It represents an imbalance between the body’s anti- and pro-inflammatory reactions. The occurrence of sepsis, which leads to multiple-organ failure and increased mortality, is marked by dysfunction in the lungs, heart, kidneys, and liver. The involvement of reactive oxygen species is believed to contribute to the progression of sepsis. Data suggest potential advantages of phenolic compounds derived from plants in combating sepsis. Plant polyphenols can be antioxidants by scavenging free radicals, chelating metals, and binding to proteins. In this research, silver nanoparticles (AgNPs) were produced by the aqueous extract of Cichorium intybus leaf for the purpose of treating sepsis-induced DNA harm. The recent study focused on the biological aspect including the cytotoxicity properties on normal (HUVEC) cell line. The AgNPs were analyzed by transmission electron microscopy (TEM), scanning electron microscopy (SEM), fourier-transform infrared spectroscopy, X-ray powder diffraction, and UV-Vis. The TEM and SEM images of AgNPs exhibited the average size of 35.29 nm with spherical morphology. In the in vivo study, the animals were categorized into four groups: sepsis-induced, sham, AgNPs-20, and AgNPs-100. AgNPs treatment resulted in a significant decrease in tissues damage ( p < 0.01). The sepsis-induced group showed a significantly elevated malondialdehyde (MDA) level in comparison to the sham group ( p < 0.01). Nevertheless, the groups that received AgNPs experienced a decrease in MDA levels and an increase in glutathione and superoxide dismutases levels ( p < 0.01). Additionally, the rats treated with AgNPs exhibited a reduction in the IL-1β mRNA expression levels ( p < 0.01).

In this study, the effects of four types of polystyrene (PS) plastic box with polyethylene terephthalate (PET) lid (PSPET), PS tray with polyethylene (PE) bag (PSPE), PS tray with a vacuumed PE bag (PSVPE), and PET box with a sealed lid (PET) on the quality of durian fruit during storage at 10°C were investigated. The analysis results showed that in all four types of packaging, the total aerobic bacteria count in the durian pulp ranged from 10 1 to 10 5  CFU/mL after storage. However, total yeast and mold count was not detected. During the same survey period, PET packaging for the product had the lowest weight loss of 0.58–3.07%. Next, the impact of temperature, at 0 and 10°C, on the quality stability of durian fruit during storage was also studied and evaluated. Durian pulp preserved in PET at two different cold temperatures did not show any significant difference in microbial content and phytochemical composition. Total aerobic bacteria count in the samples was recorded at about 10 4  CFU/g after storage; total yeast and mold count was not detected, and the weight loss reached 1.82 and 1.72% at temperatures of 0 and 10°C, respectively.

Nitroguanidine (NGu), as a kind of high-energy material, is widely used as explosive propellant and energy component of explosives and smokeless powder. However, NGu crystals prepared by crystallization process are hollow and long needles, and their bulk density and bombing performance are greatly limited due to the high energy density at the tip, large porosity, and poor fluidity. Surprisingly, the particle size and morphology of NGu can effectively be improved by the recrystallization process. In this article, the recrystallization process by directly adding cold water to control temperature is first proposed, aiming to improve the morphological characteristics and reduce the particle size of NGu. Through single factor experimental research, the influences of various operating parameters on the morphology and particle size of NGu during recrystallization process were studied in detail. The results showed that the smallest average particle size of NGu was 19.8 μm when the crude NGu concentration, cold water temperature, volume ratio of boiling to cold water, stirring speed, and polyvinyl alcohol concentration were 5 g/100 mL, 0°C, 1:1, 800 rpm, and 0.35 g/100 mL, respectively. Correspondingly, the morphology of NGu was short rod, which was helpful to improve the bulk density. This novel recrystallization process has great potential to improve the NGu morphological characteristics, providing a new idea for the preparation of military NGu with small particle size and high bulk density.

Heavy metal levels, including arsenic, lead, cadmium, mercury, chromium, and nickel, were analyzed in 124 samples of tap and filtered water obtained from Bukayriyah city, Saudi Arabia, using inductively coupled plasma mass spectrometry. Additionally, measurements of total dissolved solids, conductivity, and pH were also performed. The study also evaluated the potential non-cancer and cancer risks (CRs) associated with the ingestion of these heavy metals for both children and adults. The results indicated that the average concentrations of heavy metals in both tap and filtered water were found to be below the recommended limits set by the World Health Organization and the Gulf Standard Organization. To assess the non-carcinogenic risks, the chronic daily intake (CDI), hazard quotient (HQ), and hazard index were calculated for analyzed metals present in both tap and filtered water. In both the children and adult populations, the CDI indices for heavy metals in tap and filtered water followed the order of Cr > Hg > Ni > Pb > As > Cd. However, it is worth noting that the CDI values for tap water were higher than those for filtered water for both children and adults. The descending order of HQ values is as follows: Hg > Cr > As > Cd > Pb > Ni. This indicates that the HQ values for all metals are below the acceptable limit of 1. These findings confirm that the exposure to the examined metals from both tap and filtered water in Bukayriyah City is within safe limits and poses no non-carcinogenic risks. To assess the carcinogenic risks, the incremental lifetime cancer risk (ILCR) and total carcinogenic risk (TCR) were calculated. The order of ILCR values for both children and adults in tap and filtered water is as follows: Ni > Cr > Cd > As > Pb. All ILCR values were below the acceptable limit of 10 −6 to 10 −4 . However, TCR values exceeded this threshold range only for children exposed to tap water, with a value of 1.43 × 10 −4 . Thus, children exposed to tap water have a potential risk of developing carcinogenic diseases. Graphical abstract

The objective of this study is to determine the larvicidal activity of essential oils (EOs) extracted from three plants of the genus Artemisia against the mosquito Culex pipiens ( C. pipiens ) using in vitro and in silico studies. A total number of 20 third- and fourth-instar larvae were exposed to various concentrations of the three plants. The LC 50 and LC 90 values of the tested Artemisia EOs were determined using Probit analysis. In addition, the sensitivity of C. pipiens to these EOs was determined and compared against a standard insecticide, temephos, under laboratory conditions. Furthermore, in silico assessments were carried out on the major constituents to help understand and explain the acquired in vivo results. Gas chromatography analysis identified the major compounds as d -limonene and β-pinene for Artemisia flahaultii , camphor and borneol for Artemisia. aragonensis , and artemisia ketone and caryophyllene for Artemisia annua . A. flahaultii oil showed the highest efficacy against C. pipiens larvae, followed by A. annua oil with average larvicidal activity. In contrast, A. aragonensis EO, composed of a high percentage of monoterpenes, was the least active. Docking simulation indicated that several studied ligands had promising binding scores within the receptor’s binding site compared to the reference insecticide temephos. The obtained results allow us to conclude that A. flahaultii , a species endemic to Morocco, is an excellent means of controlling C. pipiens .

Functionalized isoxazoles provide valuable structural motifs, opening up a wide range of uses in the medicinal, pharmacological, and pharmaceutical fields. Within this scope, an efficient approach has been adopted to synthesize a novel series of functionalized isoxazole derivatives, starting from aza-aurone, providing reproducible access to the desired isoxazoles in excellent yields. All synthesized compounds were structurally elucidated through the use of various spectroscopic techniques and mass spectrometry. The derivatives generated were screened for their antimicrobial potential against the fungus Candida albicans as well as three bacterial strains. The results show that almost all of the tested isoxazole derivatives were found to be significantly potent against the fungus C. albicans . The functionalized isoxazoles were also computed using the Gaussian software package with the 6-31++G(d,p) basis set at B3LYP, HF, and M062X levels, and their chemical activities were compared. Moreover, the molecular docking studies of tested isoxazole compounds were performed against the C. albicans receptor. The results suggest that the newly synthesized compounds exhibit docking scores ranging from −10.29 to −15.08 kcal/mol, revealing a high affinity for the target enzyme ( 5V5Z ). Lastly, drug similarity studies and ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties assessments indicate that isoxazole derivatives have favorable absorption, distribution, and metabolism properties associated with a proven lack of toxicity. Graphical abstract

The rising cultivation of edible insects at an industrial level highlights the importance of employing appropriate post-harvest methods for processing safe and fine-quality insect-based products. The study investigated the impact of different drying and extraction methods on the quality of Tenebrio molitor larvae powder. Two drying treatments, microwave and oven drying, were evaluated followed by total lipid extraction using various methods. Soxhlet extraction with an n -hexane–EtOH (3:1) mixture was effective, yielding 37.85% (microwave) and 38.85% (oven). The highest fatty acid (FA) content was 9-octadecenoic acid, methyl ester ( E )-( C18:1 ). The Schlechtriem and Bligh and Dyer (BD) methods resulted in higher total lipid yields, with BD yielding 56.66% in oven-dried samples. FA profiles were consistent, with monounsaturated FAs predominant. Oven-dried samples had higher saturated FAs. Phenolic content was greater in oven-dried samples, with the n -hexane–EtOH extraction showing the highest total phenolic content (0.09 ± 0.02 mg GAE/100 mg). BD extract from oven-dried samples was the most cytotoxic, significantly reducing cell survival against A549 cells (IC 50 = 458.6 µg/mL) and inducing apoptosis at 250 µg/mL. This study underscores the importance of post-harvest methods in producing high-quality insect-based products, revealing that oven drying and specific solvent extractions can enhance total lipid yield, phenolic content, and cytotoxic effects on cancer cells.

The sixth most common cancer in the world, esophageal cancer, requires aggressive treatment such as surgery, chemotherapy, radiotherapy, and immunotherapy. Phytochemicals and medicinal plants are being used in the green synthesis of nanoparticles. Our study aimed to synthesize ZnO–SnO 2 nerolidol nanocomposite and study its effects on esophageal squamous cell carcinoma cells. UV spectroscopy showed significant absorbance at 288 nm, transmission electron microscopy and DLS showed spherical shapes, and transmission electron microscopy also showed 108 nm average diameters. The ZnO–SnO 2 nerolidol nanocomposite was also investigated using energy-dispersive X-ray analysis, Fourier transform infrared spectroscopy, photoluminescence, and field emission scanning electron microscopy. A cytotoxic effect was observed against KYSE-150 cells with an IC 50 concentration of 14.9 μg/mL. The ZnO–SnO 2 nerolidol nanocomposite inhibited cancer cell proliferation in KYSE-150 cells and enhanced apoptosis by altering its mitochondrial membrane potential. The ZnO–SnO 2 nerolidol nanocomposite also enhanced oxidative stress, leading to a decrease in superoxide dismutase, catalase, and glutathione and an increase in lipid peroxidation. Ultimately, ZnO–SnO 2 nerolidol nanocomposite enhanced the caspase cascade by inducing caspases 3, 8, and 9 in KYSE-150 cells. On the whole, we suggest that the ZnO–SnO 2 nerolidol nanocomposite can be an effective treatment strategy against esophageal squamous cell carcinoma in KYSE-150 cells. However, understanding molecular circuits is still warranted.

The effects of hydrolysis of muskmelon pomace on fruit juice recovery efficiency, transmittance, total phenolic content, total ascorbic acid content, total flavonoid content, and total carotenoid content have been studied. The aim of this study was to evaluate the potential use of pectinase enzyme in the hydrolysis process, specifically looking at the effects of pH, temperature, time, and enzyme concentration on the production of effective muskmelon juice. Additionally, the optimal mixing ratio of ingredients such as melon juice content, Brix level, citric acid, and additives (pectin, sodium carboxymethyl cellulose [CMC], xanthan gum) was investigated to create a high-quality muskmelon juice product. The results showed that using a pectinase enzyme concentration of 0.2%, a pH of 5.0, and a hydrolysis temperature of 45°C for 120 min resulted in a muskmelon juice product with a hydrolyzed juice content of 20%, a Brix level of 12%, and a citric acid addition rate of 0.04%. The addition of xanthan gum at a rate of 0.03% also contributed to the desired flavor and color of the juice. These findings provide valuable insights for the development of effective muskmelon juice processes.

The peel and pulp of soursop are ideal for creating a new tea product, offering a unique flavor compared to traditional leaf tea. This study develops mathematical models to describe the drying process, decomposition of bioactive components, and antioxidant activity of soursop slices. The slices were dried at four temperatures (20–50°C) using industrial-scale heat pump drying. Changes in moisture ratio (MR) were calculated and compared with 30 previous models. Additionally, two and four mathematical models were used to analyze data on total flavonoid content (TFC) and antioxidant activity. The model fits were evaluated based on statistical parameters ( R 2 , root mean square error, χ 2 ). The results indicated that the drying process at 20°C involved two mechanisms following the Aghbashlo model ( R 2 > 0.993). At higher temperatures, the moisture removal process followed a single mechanism. Zero order, first order, and polynomial quadratic models were suitable for describing TFC decomposition and antioxidant activity, depending on the temperature. The activation energy of MR (29.89 kJ/mol) was lower than that of 2,2′–azino-bis–3–ethylbenzothiazoline–6–sulfonic acid (37.02 kJ/mol) and 2,2–diphenyl–1-1-picrylhydrazyl (32.12 kJ/mol), indicating drying efficiency and retention of bioactive components. The study’s findings are expected to enhance quality, improve economic efficiency, and expand the market for soursop tea.

Graphical abstract Abstract Water pollution remains a significant global challenge, with dye contamination from industrial activities being particularly problematic. Adsorption is widely recognized as an efficient, rapid, and cost-effective method for pollutant removal. To enhance adsorption efficiency, researchers have increasingly focused on the development of reusable adsorbent materials. Magnetic materials, in particular, have garnered attention due to their ability to be easily recovered through the application of an external magnetic field. In this study, ferrite spinel adsorbents were synthesized by substituting Co( ii ) into the FeFe 2 O 4 spinel structure using a coprecipitation method. The random distribution of a Co cation into host FeFe 2 O 4 compounds, Fe 1– x Co x Fe 2 O 4 ( x = 0–1), strongly influenced optical and magnetic properties. Nanoparticle sizes varying within 10–17 nm were obtained in Fe 1− x Co x Fe 2 O 4 compounds. X-ray diffraction and Fourier transform infrared spectroscopy analyses revealed a single-crystal phase that was well fabricated. The optical bandgap energy decreased from 2.27 to 1.89 eV, together with a reduction of magnetic moment from 93.5 to 43.1 emu/g. The Fe 1− x Co x Fe 2 O 4 materials demonstrated significant adsorption performance for Direct Red 79 (DR79), particularly at low pH levels, with optimal results observed at x = 0.5 (FC3). The adsorption behavior was effectively described by the Langmuir and Redlich–Peterson models. Kinetic analysis revealed that the pseudo-second-order and intragranular diffusion models provided the best fit. Thermodynamic analysis indicated an endothermic process (Δ H = 74.947 kJ/mol), suggesting that the adsorption mechanism is primarily physical. This study underscores the potential of Fe 1− x Co x Fe 2 O 4 materials for the effective removal of Direct Red 79 (DR79), offering valuable insights into their synthesis, characterization, and application for environmental remediation. After four cycles of recovery and reuse, the FC3 magnetic nanomaterial was able to remove 42% of the DR79 pollutant while maintaining good chemical stability. The adsorption efficiency of the material for the actual textile wastewater sample reached 57% for color removal and 54.5% for chemical oxygen demand reduction.

The aim of the current study is to assess the phytochemical contents, antifungal activity, and cytotoxicity characteristics of an ethanolic extract derived from the entire Torilis arvensis plant. High-performance liquid chromatography examination of the extract revealed that the primary phenolic components were benzoic, o -coumaric, and vanillic acids with concentrations of 259.1, 220.4, and 111.3 µg/g of extract, respectively. The highest flavonoids were catechol (117.9 µg/g) and kaempferol (108.7 µg/g). The extract is notable for its high concentration of long-chain saturated and unsaturated fatty acids, as well as its presence of 17 gas chromatography-mass spectrometry bioactive chemicals. Three soil-borne pathogenic fungi, Rhizoctonia solani , Fusarium solani , and Fusarium oxysporum, were molecularly identified and assessed for the antifungal activity of the extract. The extract showed the highest growth inhibition against R. solani , F. oxysporum , and F. solani at 300 µg/mL, with inhibition rates of 88.9, 71.5, and 67.8%, respectively. T. arvensis treatments were generally non-toxic after proceeding with cytotoxicity assay on the onion root tip cells, with no chromosomal abnormalities detected even at the highest concentration (300 µg/mL). These findings highlight the potential of T. arvensis extract as a safe and effective antifungal agent with a rich phytochemical profile.

The Fe 3 O 4 magnetite–poly-1 H pyrrole dendritic nanocomposite seeded on additional poly-1 H pyrrole film, denoted as Fe 3 O 4 -P1HP/P1HP, is synthesized by oxidative polymerization utilizing (Fe(NO 3 ) 3 ·5H 2 O for the pyrrole monomer. The resulting nanocomposite exhibits a notable bandgap of 1.97 eV and demonstrates broad optical absorption up to 625 nm. The structure of each particle consists of numerous smaller internal particles, which are composed of nanofibers of approximately 2.0 nm in length and porous structures of around 5.0 nm. These porous structures cluster together to form a larger configuration, with an overall diameter of ∼230 nm and a length of approximately 300 nm, giving the composite a nano-cactus-like appearance. The fabricated Fe 3 O 4 –P1HP/P1HP photocathode is inserted into a three-electrode cell to facilitate green hydrogen production from sanitation water without the need for any external sacrificial agent. The performance of H 2 gas generation is assessed by measuring the photocurrent density ( J ph ) under light, which serves as an indicator of the efficiency of hydrogen production. The J ph value reaches −0.23 mA/cm² under light conditions. The highest J ph values of −0.164 and −0.158 mA/cm² are observed at wavelengths of 340 and 440 nm, respectively. However, as the wavelength reaches 540 nm, the J ph value decreases to −0.134 mA/cm² and drops to its lowest point of −0.128 mA/cm² at 730 nm, which is comparable to the dark current ( J o ). The fabricated photocathode demonstrates a promising hydrogen generation rate of 90 µmol/h cm², reflecting its potential for commercial applications. The combination of this impressive hydrogen production rate, along with the photocathode’s cost-effectiveness and straightforward fabrication process, suggests that this technology could be commercially viable for converting sanitation water into hydrogen gas.

The present study investigated the phytochemical constituents and antimicrobial effects of aqueous methanolic extract of Haloxylon salicornicum against some phytopathogenic bacterial and fungal strains. The selected bacterial strains were Pectobacterium carotovorum , Pectobacterium atrosepticum , Ralstonia solanacearum , and Streptomyces scabiei , while fungal strains were Fusarium oxysporum , Botrytis cinerea , and Rhizoctonia solani. The extract demonstrated significant efficacy against P. atrosepticum and P. carotovorum at a concentration of 1,000 µg/mL, resulting in inhibition zones measuring 12.3 and 11 mm, respectively. Furthermore, the extract demonstrated considerable effectiveness against fungal strains, achieving an impressive fungal growth suppression rate of 68.8% against R. solani at a concentration of 5,000 µg/mL. The high-performance liquid chromatography analysis identified nine notable phenolic compounds and six common flavonoid compounds in the extract. The identified phenolic compounds in the highest quantities were gallic acid (6427.5 µg/g), vanillin (1145.4 µg/g), chlorogenic acid (498.1 µg/g), and syringic acid (322.5 µg/g). Apigenin (1155.9 µg/g), daidzein (460.9 µg/g), quercetin (382.7 µg/g), and naringenin (160.4 µg/g) exhibited the most significant concentrations of flavonoid compounds. Gas chromatography–mass spectrometry analysis revealed that n -hexadecanoic acid (53.7%), 9-octadecenoic acid (26.9%), 9,12-octadecadienoic acid ( Z , Z ) (8.67%), palmitic acid, and TMS derivative (4.36%) were the predominant compounds in the extract. Consequently, the H. salicornicum aqueous methanolic extract could be used for the first time as an environmentally safe antimicrobial pesticide agent against plant pathogens to reduce the excessive use of chemical pesticides.

Mesoporous MgAl 2 O 4 + LnFe 0.7 Ni 0.3 O 3 (Ln = La, Pr) nanocomposites were prepared by a cost-effective one-pot procedure with the Pluronic P123 copolymer and Ni + Ru active components were supported on them by wet impregnation. The real structure of samples was studied by X-ray diffraction and transmission electron microscopy with energy-dispersive X-ray spectroscopy, surface properties were determined by Fourier transform infrared spectroscopy of adsorbed CO, reactivity was evaluated by temperature programmed reduction by H 2 , and catalytic activity was tested in ethanol steam reforming (ESR). Disordering of the real structure of nanocomposite supports due to incorporation of transition metal cations into MgAl 2 O 4 results in the development of a metal–support interface and domination of single surface metal centers. This provides a high catalytic activity in the ESR reaction in the intermediate temperature range ∼550°C, close to that of the best known catalysts, and stability to coking. A higher activity for the Pr-containing catalyst is provided by the high reactivity of surface oxygen species bound with Pr cations.

Mercury ions represent hazardous contaminants with significant adverse effects on human health, wildlife, and vegetation. Therefore, it is crucial to create a sensitive and trustworthy technique for identifying mercury ions. In this study, nitrogen and boron co-doped carbon dots (N,B-CDs) were created via a one-step hydrothermal approach, employing citric acid, polyethyleneimine, and boric as precursors. The resulting N,B-CDs exhibited spherical morphology with an average diameter of 2.60 nm and emitted blue fluorescence with peak emissions at 442 nm ( λ em ) upon excitation at 360 nm ( λ ex ), yielding a fluorescence quantum yield of 27.34%. Remarkably, N,B-CDs, without any surface modifications, functioned as a direct “turn-off” probe, enabling swift, highly selective Hg 2+ detection. The N,B-CDs probe could measure Hg 2+ in the linear ranges of 0.40–22 μM and 22–208 μM , with a detection limit of 0.12 μM. The detection mechanism was attributed to dynamic quenching interactions between N,B-CDs, and Hg 2+ . Additionally, the probe was used to detect Hg 2+ in both tap and river water, and the recovery rates ranged from 87.20 to 108.20% (RSD <4.89%). These findings highlighted the method’s considerable practical potential for detecting Hg 2+ in environmental water.

Heavy metals (HMs) in urban road dust could cause human health risk through potential pathways, especially in industrial areas. To identify pollution sources and propose countermeasures, the seasonal distribution of five HMs (Cu, Cr, Zn, Pb, and Cd) were analyzed from 27 sites of Qingshan Industrial District (QSD) and their induced human health risk was assessed using a developed bioaccessibility-based risk assessment model. Results showed that: (1) The concentrations of five HMs were Zn > Cr > Pb > Cu > Cd. Compared with the background values of each element, the dust enrichment capacity in summer was Zn > Pb > Cd > Cu > Cr, and in winter was Cd > Zn > Pb > Cu > Cr. (2) There was no non-carcinogenic risk in road dust in QSD and children’s total non-carcinogenic risk was higher than adults. The non-carcinogenic exposure of each HM was ingested > dermal contact > respiratory inhalation. (3) Cu-Zn-Pb-Cd mainly came from the combined pollution of traffic and industry, and Cr came from the pollution of the steel industry and natural sources. (4) Based on the assessment results, Cr, Zn, Pb, and Cd were determined as the priority control HMs.

This study examined the phytochemical composition and biological activities of Cannabis sativa L. extracts, focusing on their antioxidant and anti-inflammatory properties. Advanced techniques such as high-performance liquid chromatography with a diode-array detector and gas chromatography-mass spectrometry were used to identify and quantify phytochemicals. The hexane extract contained the highest concentrations of phenolics (175 ± 4 mg GAE/g DWE), flavonoids (14 ± 1.5 mg GAE/g DWE), flavones (2.2 ± 0.4 mg GAE/g DWE), and tannins (0.51 ± 0.08 mg GAE/g DWE). Delta-9-tetrahydrocannabinol (THC), the cannabinoid responsible for psychoactive effects, was predominant in the hexane extract, whereas cannabidiol (CBD), a non-psychoactive cannabinoid, was more abundant in the chloroform extract. Both extracts demonstrated significant antioxidant activity in 1,1-diphenyl-2-picrylhydrazyl, 2,2-azino-bis-3-ethylbenzothiazoline-6-sulphonic acid, ferric reducing antioxidant power, and total antioxidant capacity assays. Anti-inflammatory effects were observed through the inhibition of protein denaturation (IC 50 ∼350 μg/mL) and membrane stabilization (IC 50 185–470 μg/mL, depending on the assay). The results underscore the in vitro antioxidant and anti-inflammatory potential of Cannabis sativa extracts, supporting their traditional medicinal use. Molecular docking studies suggest that phytochemicals, particularly CBD and THC, may assist in managing inflammation by inhibiting The nuclear factor Kappa B and lipoxygenase pathways. These findings enhance the understanding of the therapeutic potential of Cannabis sativa in managing oxidative stress and inflammation.

The study presents a straightforward, eco-friendly method for removing toxic dyes, such as methylene blue (MB) and acid red (AR), from aqueous solutions through solid-phase extraction using adsorption on surface-modified montmorillonite nanoclay. The nanoclay, containing 25–30 wt% methyl dihydroxyethyl hydrogenated tallow ammonium (MM-MDH nanoclay), functions as the environmentally benign adsorbent. The physical properties of MM-MDH nanoclay were characterized utilizing scanning electron microscopy, transmission electron microscopy, X-ray diffraction, Fourier transform infrared spectroscopy, and surface area analysis. Optimal conditions for dye removal, including solution pH, nanoclay dosage, contact time, solution temperature, and ionic strength, were systematically investigated. Experimental results demonstrated that MM-MDH nanoclay effectively removed the majority of dyes within 90 min. Isotherm data indicated an adsorption capacity of 34.33 mg/g for AR dye and 20.19 mg/g for MB dye under optimal conditions. The adsorption process was analyzed kinetically and thermodynamically, revealing that the pseudo-second-order kinetic model accurately described the adsorption behavior. Thermodynamic analysis confirmed that the process was spontaneous and exothermic for AR dye and spontaneous and endothermic for MB dye. The effectiveness of MM-MDH nanoclay was further validated by removing dyes from three different real samples, demonstrating high performance in dye removal over four consecutive cycles.

The objective of this investigation was to assess the inhibitory effects of extracts derived from Pterospermum heterophyllum on bacteria and fungi, as well as their capacity to impede the proliferation and migration of HepG2 liver cancer cells. Extracts from the leaves and stems of P. heterophyllum revealed the ability to resist all three bacterial strains, including Escherichia coli , Pseudomonas aeruginosa , and Streptococcus aureus ( p < 0.05). Additionally, P. heterophyllum also inhibited the growth of three fungal strains: Aspergillus brasiliensis , Candida albicans , and Aspergillus flavus . Evaluation of anticancer activity showed that extracts from P. heterophyllum significantly reduced the proliferation of HepG2 cells, with IC 50 values for leaf and stem extracts being 35.5 and 47.17 µg/mL, respectively. Remarkably, the extract of this herbal species inhibited the migration ability of HepG2 cells after 24 h of treatment. Fluorescence analysis of cells using 2-HDCFDA showed a considerable elevation in reactive oxygen species production within HepG2 cells treated with extracts, which is hypothesized to contribute to a reduction in cell viability. Subsequent chemical compound analysis utilizing GC-FID spectra identified some main compounds present in the extracts from P. heterophyllum . This study highlights the potential antimicrobial and anticancer activities of P. heterophyllum .

With an emphasis on improving the membrane’s long-term durability and filtering efficiency, this study examines how well nanoparticle-modified polyvinylidene fluoride (PVDF) membranes perform in postponing membrane aging. The functionalization of PVDF membranes with mesoporous silica nanoparticles (MSNs) to increase their resistance to fouling and degradation makes this study novel. Sol–gel synthesis was used to create MSNs, which were then included in the PVDF membrane matrix. Brunauer–Emmett–Teller surface area analysis, X-ray diffraction, and scanning electron microscopy were used to analyze the structural characteristics of the modified membranes. The findings showed that adding MSNs improved the mechanical strength and permeability of the membrane by increasing its surface area and pore volume. Comparing the modified PVDF membranes to the unmodified membranes, aging tests revealed a slower drop in filtering performance and increased resilience to fouling and chemical degradation. According to these results, MSN-modified PVDF membranes are a promising material for water treatment and other filtering applications since they have a great deal of potential to increase the longevity and effectiveness of filtration systems.

Vitamin E acetate (VEA) is commonly used in manufacturing pharmaceuticals, food additives, and animal feeds. However, VEA possesses disadvantages, including low water solubility, low bioavailability, and susceptibility to degradation and oxidation. This study investigated the use of cocoliposomes for encapsulating VEA (VEACL). The cocoliposomes consisted of coconut phospholipids (CocoPLs) and cholesterol (Chol). Several parameters, such as functional groups, transition temperature, encapsulation efficiency (EE), release profile, particle size, polydispersity index, and zeta potential, were analyzed to evaluate the impact of cholesterol inclusion on the cocoliposome membrane. The results show that the Fourier transform infrared spectra of VEACL do not exhibit any new, distinct peaks that differ from the peaks of its constituent composition. Therefore, it confirmed that no chemical reactions occurred during the manufacturing of VEACL. Cholesterol in the system raises the transition temperature of phospholipids and enhances the stability of VEACL. The EE remains above 80% despite a 20% increase in cholesterol levels. The release rate of VEA from cocoliposomes was slower with VEACL–20%Chol compared to VEACL–0%Chol. The cholesterol level leads to a decrease in particle size and an increase in the negative zeta potential of the cocoliposomes. Data show that cocoliposomes are effective carriers for VEA encapsulation.

This article covers 26 Pt( ii ) complexes of compositions Pt(η 3 -X 1 N 1 X 2 )(PL) (X 1,2 = O, C, or Se) and Pt(η 3 -N 1 N 2 X 1 )(PL) (X 1 = C, S, or Se). These complexes crystallized in two crystal classes: monoclinic (14 examples) and triclinic (12 examples). The heterotridentate ligand with monodentate PL builds up a distorted square-planar geometry around each Pt( ii ) atom. Each heterotridentate ligand Pt(η 3 -X 1 N 1 X 2 )(PL) creates two metallocyclic rings with a common N 1 atom of the O 1 C 2 N 1 C 3 O 2 , O 1 C 3 N 1 C 3 O 2 , O 1 C 2 NN 1 C 3 O 2 , C 1 C 2 N 1 C 2 C 2 , and Se 1 C 2 N 1 NC 2 Se 2 types. In Pt(η 3 -N 1 N 2 X 1 )(PL) complexes, the tridentate ligand with a common N 2 atom forms the following types of metallocyclic rings: N 1 C 2 N 2 C 2 C 1 , N 1 C 2 N 2 NCS 1 , and N 1 CNN 2 NCSe 1 . The total mean values of τ 4 for respective complexes as it grows in the sequence: 0.056 (Pt(η 3 -O 1 N 1 O 2 )(PL)) < 0.091 (Pt(η 3 -Se 1 N 1 Se 2 )(PL)) < 0.161 (Pt(η 3 -N 1 N 2 S 1 )(PL)) < 0.174 (Pt(η 3 -N 1 N 2 Se 1 )(PL)) < 0.188 (Pt(η 3 -C 1 N 1 C 2 )(PL)) < 0.211 (Pt(η 3 -N 1 N 2 C 1 )(PL)). The distortion of the square-planar geometry increases in the given sequences. The structural data (Pt–L, L–Pt–L) are analyzed and discussed with attention to the distortion of a square-planar geometry about the Pt( ii ) atoms as well as of trans -influence. Graphical abstract Structure of [Pt(η 3 -C 22 H 11 F 6 N 3 O 2 )(PPh 3 )]

Biocorrosion, or microbiologically influenced corrosion, is a phenomenon where microorganisms deteriorate the metals. While corrosion is generally considered undesirable due to its negative impact on the integrity and lifespan of materials, the significance of biocorrosion is a major problem because it can cause material deterioration, financial losses, and environmental issues. Conventional corrosion protection techniques frequently use chemicals, which come with risks to human health and the environment. Biosurfactants are surface tension-reducing agents with a low molecular weight that attract many researchers and industrialists due to their excellent chemical properties and stability at extreme temperatures, pH, and under alkaline conditions. These compounds reduce the surface tension of liquids, leading to improved wetting and spreading on metal surfaces. This can help to create a more uniform and protective layer, preventing the accumulation of corrosive agents. This review explores different types of biosurfactants, which include lipopeptides, glycolipids, phospholipids, etc., and how they work to prevent corrosion. The investigation of biosurfactants in corrosion protection not only addresses environmental concerns but also holds promise for innovation in the development of efficient and long-lasting corrosion mitigation strategies for a variety of metal substrates, given the growing demand for green and sustainable technolo gies. Graphical abstract

Metal–organic frameworks (MOFs) have attracted chemical and material research interests in recent years due to their incredibly prominent properties and unique structures. Although MOFs have many unique characteristics, including tunable pore structures and functionality, their application performances are hindered by their powdered crystalline state, intrinsic fragility, poor processability, and stability. Recent studies have shown that the incorporation of MOFs into hydrogel outperforms the MOFs in their crystalline state. This article presents the current development of stimulus-responsive MOF–hydrogel composites in terms of synthesis of MOF and preparation of MOF–hydrogel, characterization, and advancement of stimulus-responsive MOF–hydrogel composite in drug delivery and wound management. The article also discusses prospective study directions, delineating potential avenues for further exploration and innovation in this dynamic field. Graphical abstract

The titanium electrode was polarized under the influence of alternating current (AC) at 50 Hz. The current density was varied between 100 and 5,000 A m −2 . Initially, the titanium electrode oxidized, and then, titanium oxides were reduced during the cathodic half-cycle of the AC. When the cathodic half-cycle changes to the anodic half-cycle, titanium is oxidized to the trivalent state: Ti − 3 e ̄ → Ti 3 + {{\rm{Ti}}-3{\rm{e}}{\rm{&#x0304;}}\to {\rm{Ti}}}^{3+} . The direction of the AC changes depending on its frequency, causing the processes occurring on the electrodes to be periodically repeated. The current efficiency of the titanium electrode dissolution depends on the sulfuric acid concentration and electrolyte concentration, reaching up to 63.4% under optimal conditions. Bipolar electrodes were used during AC electrolysis. It was found that the decrease in the mass of titanium electrodes increases almost linearly at first, from 400 to 1,600 A m −2 , and then more intensively within the current densities from 1,800 to 2,500 A m −2 . It was shown that when using a bipolar electrode, the total mass loss of the electrodes is 1.38 times greater than the total mass loss during polarization without a bipolar electrode. The composition of the titanium dioxide obtained as a result of electrolysis was identified using physico-chemical analysis methods.

This research is dedicated to investigating the antioxidant potential and phytochemical composition of three distinct extracts derived from Vitex agnus-castus L. These extracts, prepared through aqueous (EXA), ethanolic (EXE), and methanolic (EXM) maceration, were chosen based on prior assessments of total polyphenol content in extracts obtained from five solvents with differing polarities: water, methanol, ethanol, acetone, and butanol. The study initiated with a comprehensive phytochemical analysis focusing on the determination of total polyphenols and flavonoids. The quantification of total polyphenols was carried out using the Folin–Ciocalteu method, while the AlCl 3 method was employed to assess flavonoids. In evaluating the in vitro antioxidant activity, we employed two well-established methods, 2,2-diphenyl-1-picrylhydrazyl (DPPH) and ferric-reducing antioxidant power (FRAP). The preliminary tests, gauging the efficacy of solvents, demonstrated that the order of optimal solvent selection was as follows: aqueous, methanolic, ethanolic, butanolic, and acetone. Consequently, the first three solvents were chosen for the preparation of the extracts. The phytochemical analysis unveiled that EXA exhibited the highest total polyphenol content, with an impressive value of 126.84 ± 1.24 mg EAG/g extract, whereas EXE exhibited the lowest concentration of total polyphenols, measuring at 117.26 ± 0.18 mg EAG/g extract. In contrast, EXM showcased a notably high flavonoid content, registering at 33.65 ± 1.04 mg EQ/g extract, while EXA displayed a comparatively lower flavonoid content at 14.93 ± 0.14 mg EQ/g extract. When assessing antioxidant properties, EXA emerged as the most potent against both DPPH and FRAP, recording values of 78.94 ± 1.84 and 203.27 ± 0.17 μg/ml, respectively. In contrast, the ethanolic extract exhibited relatively lower antioxidant activity, with values of 204.16 ± 1.87 μg/ml for DPPH and 307.10 ± 1.15 μg/ml for FRAP.

Chenopodium ambrosioides , a member of the Chenopodiaceae family, is renowned for its toxic properties. Despite its toxicity, it has been traditionally utilized in various communities, particularly in pediatric contexts, for its vermifuge, antispasmodic, and antipyretic attributes. This study aims to unravel the phytochemical composition present in organic fractions and aqueous extracts obtained from the aerial components of C. ambrosioides . Furthermore, our objective is to evaluate the antioxidant activity of these extracts and fractions, coupled with a comprehensive examination of their toxicological effects. Polyphenols were quantified using the Folin–Ciocalteu reagent, flavonoids via the aluminum trichloride reagent AlCl 3 , and tannins using the vanillin method. Identification of bioactive compounds within the plant specimen was accomplished through GC-MS spectrophotometric analysis. The assessment of antioxidant activity employed DPPH, ferric (Fe 3+ ) ion antioxidant reducing power (FRAP), ABTS, and TAC methods, with quercetin, catechin, and ascorbic acid serving as standards. Dermoprotective activity was studied using the ultraviolet absorption test. The GC-MS analysis conducted on the aqueous extracts (EAI and EAM) and assorted fractions (FCH, FE, FB, and FA) revealed the presence of diverse chemical families encompassing alcohols, acids, terpenes, steroids, and phenolic compounds. The components identified in the investigated samples, including trans -ascaridol glycol, palmitic acid, phenol, octadecadienoic acid, isoascaridol, eicosanoic acid, 2-methoxy-4-vinyl phenol, mexiletine, and thymol, are postulated as potential contributors to the observed antioxidant activity inherent in the plant extracts and fractions. Our findings highlight the remarkable antioxidant potential of Chenopodium ambrosioides , with the ethyl acetate fraction exhibiting the highest activity (IC 50 = 0.54 mg/ml) in the DPPH test. In the FRAP and ABTS tests, the n -butanolic and ethyl acetate fractions demonstrated superior activity (IC 50 = 4.43 mg/ml, 12.9 mg/ml and IC 50 = 1.6 mg/ml, 4.54 mg/ml, respectively). Conversely, the TAC test revealed that the macerated aqueous extract displayed the highest activity (316.33 mg Eq AG/g), followed closely by the n- butanolic fraction (250.67 mg Eq AG/g). These outcomes can be attributed to the abundant presence of phenolic compounds in the n- butanolic and ethyl acetate fractions, as well as the macerated aqueous extract, playing a pivotal role in the observed antioxidant activity. Additionally, our investigation of the dermoprotective activity demonstrated robust efficacy in the ethyl acetate fraction (FE) and the n- butanolic fraction (FB) compared to the standard agents employed (ZnO and methyl salicylate). Overall, our comprehensive studies affirm that the extracts and fractions derived from C. ambrosioides manifest moderate antioxidant activities alongside significant dermoprotective potential, elucidated by the presence of phenolic compounds in moderate quantities within the plant.

The green synthesis pathway for silver nanoparticles (AgNPs) used in bacterial treatment is regarded as crucial because of its cost-effectiveness, nontoxicity, and eco-friendliness. During the present work, the mangliculous marine fungi Amarenographium solium isolated from the Arabian Gulf Coast of Saudi Arabia were utilized for the synthesis of AgNP, through the bio-reduction of aqueous silver nitrate (AgNO 3 ) solution. The success in AgNP synthesis was visually identified by the development of dark brown color in the cell-free filtrate and was further confirmed by ultraviolet–visible spectroscopy, which showed a peak at 425 nm. The AgNPs produced were further characterized using X-ray diffraction data analysis that proved the bioreduction of silver to 20 nm, and transmission electron microscopy revealed the formation of well-dispersed spherical nanoparticles with an average mean size of 12 nm. The optimization reaction parameters of temperature, pH, and metal salt concentration were carried out and resulted in a combination of 30°C, 7 and 1.5 mM, respectively, for rapid and maximum yield production. The antibacterial activity of the produced nanoparticles was evaluated using the two-fold microdilution method and showed a minimum inhibitory concentration of 9.375 μg/mL of AgNP against multiple drug-resistant bacterial strains.

The olive trituration activity is one of the most important industrial activities in Fez, Morocco. These effluents are highly loaded with organic, inorganic, and phenolic compounds without any preliminary treatment that affects water quality. In this sense, the waters of Oued Fez are deteriorating due to the discharge of wastewater from oil mills and the excessive proliferation of Pistia stratiotes L., an invasive macrophyte that represents a significant stress to the aquatic ecosystem, eutrophication, and a reduction in biodiversity. This ecological situation has prompted us to carry out phytotoxicity bioassays based on the detection of the lethal concentration of P. stratiotes in the wastewater from the olive oil mill to evaluate the sensitivity and tolerance of macrophytes to the different concentrations of total polyphenols (TPP) present in the olive mill wastewater. To estimate their impact on the environment. Fresh whole plants of P. stratiotes were exposed to varying concentrations of olive oil mill wastewater with a series of TPP concentrations (0–30 mg/l) for 1 week in the natural environment. The results also show that P. stratiotes is able to grow rapidly in culture with 20 mg/l of TPP; the highest growth of wet weight of P. stratiotes occurred at 20 mg/l treatment with an average of 13 g wet weight increase. At 0 mg/l, treatment is known to cause very slow growth with an average of 2 g. Olive oil mill wastewater was toxic to the plant at concentrations higher than 30 mg/l, and the phytotoxic effect was manifested by retardation of growth, detachment of roots, wilting, and chlorosis of leaves. This indicates that polyphenols have great potential to inhibit the proliferation of P. stratiotes in aquatic environments.

Lablab ( Lablab purpureus L.) Sweet “white” is a vegetable crop belonging to the Fabaceae family, and it has been used in many ways as food, ornamental plant, green manure, and medicinal. In contrast, zinc oxide nanoparticles (ZnO NPs) play an important role in plant growth and development. The aim of this current study was to investigate the impact of biogenic ZnO NPs on the growth, development, and antioxidant system of L. purpureus (Sweet). Thus, different concentrations (0.0, 10, 25, 50, and 100 mg/L) of biogenic ZnO NPs were used. The seeds of Lablab were immersed into the concentrations of ZnO NPs for 24 h and cultivated in sterilized soil. Next, after 2 months of growth under greenhouse conditions, the morphological and physico-biochemical parameters were evaluated. In general, the recorded results showed that the biogenic ZnO NPs have a significant impact on germination, fresh and dry biomass of the Lablab crop. The same results were observed with photosynthetic pigments, carotenoids, total protein content, enzyme activity, and phenolic comments. Also, the accumulation of nutrients such as nitrogen and zinc in edible tissue was increased in response to the addition of ZnO NPs. Moreover, the scavenging ability of sample methanolic extract to diphenyl-2-picryl-hydrazyl, azino-bis-3-ethylbenzothiazoline-6-sulfonic acid, and hydrogen peroxide was affected by the addition of biogenic ZnO NPs. Furthermore, the level of gene expression under ZnO NPs can be investigated for a better understanding of the process that leads to improving the growth and development of crops.

Nanomaterials have become integral in various aspects of agricultural practices, including the development of nano-fertilizers for optimized crop nutrition. This study explores the application of green-synthesized iron (Fe) and molybdenum (Mo) nanoparticles, as well as their composites, using a guava leaf extract (GLE). The focus is on assessing their impact on nitrogen fixation and growth in tomato plants ( Solanum lycopersicum ). The nanoparticles were characterized through Fourier Transform Infrared Spectroscopy, Ultraviolet Diffused Reflectance Spectroscopy, Raman Spectroscopy, and X-ray diffraction analysis. The experiment involved two application methods (soil and direct plant spraying) with varying nanoparticle concentrations. Results indicate that the 1% composite nanoparticles applied to the soil and 3% Mo directly on plants yield the most favorable growth and nitrogen uptake in S. lycopersicum . Notably, the 1% composite treatment demonstrated significant enhancement in shoot length, number of branches, and shoot diameter at all three growth stages. Conversely, the 3% Mo treatment when applied directly to plants exhibited optimal results showing substantial shoot length, number of branches, and shoot diameter. Post-experimental soil nutrient analysis further revealed the nuanced effects of nanoparticle applications with 1% composite treatments enhancing nutrient availability compared to control and other concentrations. This research contributes to the evolving field of agri-nanotechnology emphasizing the importance of nanoparticle concentration and application method in influencing plant development and nutrient uptake, paving the way for sustainable agricultural practices.

Recent advances in nanoscience and nanotechnology have revolutionized the medical field, particularly in the treatment and prevention of disease. Silver nanoparticles (AgNPs) are considered one of the best supreme and most important nanomaterials with a variety of compulsive nanomaterial having diverse array of multifunctional bioapplications. The current study focuses on the green biosynthesis of AgNPs using polysaccharides extracted from Olea europaea leaves. The synthesized AgNPs were thoroughly analyzed and characterized using various spectroscopic and microscopic techniques including, UV-Vis spectroscopy, Fourier transform infrared spectroscopy (FTIR), X-ray diffraction, Energy dispersive X-ray (EDX), and Scanning electron microscopy (SEM). The absorption peak at 440 nm showed a high plasmon resonance band, confirming the formation of green AgNPs by the reduction of Ag + ions to Ag 0 . FTIR analysis showed the appearance and extension of different functional groups. The results of EDX and SEM confirmed the synthesis of AgNPs with spherical shape, crystalline structure, and an average size of 64.42 nm. The biosynthesized AgNPs possessed improved antimicrobial activities, indicating the importance of biosynthesized NPs in the pharmaceutical industry. In addition, the biosynthesized AgNPs were biocompatible and exhibited anti-inflammatory activity (86.29%), almost similar to that of a standard drug (87.78%) at a concentration of 500 µL/mL. The polysaccharides obtained from O. europaea could be considered as effective reducing agent, leading to an environmentally friendly synthesis of stable and biologically important AgNPs with a wide range of applications.

This comprehensive and quantitative research offers a thorough analysis of how metal oxides and nanocomposites are used in the photocatalytic treatment of organic dyes. It explores the challenges and opportunities of employing photocatalytic conversion technologies, discussing the optimal conditions for efficient degradation. The mechanisms of photocatalytic degradation are elucidated, highlighting the steps involved in transforming organic dyes into harmless by-products. Additionally, the article examines the factors that enhance the overall efficiency of photocatalytic conversion and compares its cost-effectiveness to other treatment methods. Various photocatalysts, with a focus on metal oxides and nanocomposites, are analyzed in terms of their advantages and limitations in degrading organic dyes. This article serves as a valuable resource for researchers and practitioners seeking sustainable and economical wastewater treatment solutions through efficient and eco-friendly photocatalytic approaches.

The build-up of synthetic dyes in the environment and aquatic ecology is a significant environmental issue due to their inability to break down naturally. The overuse of chemical fungicides also poses a threat to the environment due to their accumulation and fostering of fungal resistance. Hence, the study was conducted to detect the antifungal properties and photocatalytic activity of greenly synthesized iron oxide nanoparticles (IONPs) prepared using the Hibiscus sabdariffa flower extract. The biogenic IONPs showed the highest photocatalytic activity against rhodamine B dye at a concentration of 4.0 mg/ml. The biogenic IONPs also demonstrated effective antifungal properties against Penicillium digitatum and Aspergillus niger strains, with relative inhibition percentages of mycelial growth being higher than those with the metalaxyl + mancozeb fungicide at 800 ppm concentration. The efficient photocatalytic activity of the biogenic IONPs against rhodamine B dye and their effective antifungal properties suggest their potential use as safe substitutes for commercial fungicides.

This research aimed to explore the protective and therapeutic properties of safranal in mitigating inflammation and oxidative stress induced by elevated acetaminophen (APAP) doses in a rat model. The protective and therapeutic effects of safranal were determined by histopathologically and examining some biochemical parameters such as aspartate transaminase (AST), alanine transaminase (ALT), glutathione, glutathione peroxidase, catalase, malondialdehyde, interleukin-6, tumor necrosis factor-α, and interleukin-1β. Male Wistar–Albino rats were subject to random allocation, forming five groups, each comprising seven rats ( n = 7) in the study. Group 1 was the control group. APAP was administered in Group 2 to induce hepatotoxicity. Rats in Groups 3, 4, and 5 received intraperitoneal injections of safranal at doses of 0.025, 0.05, and 0.1 mL/kg/day for 14 days, respectively. On the 15th day, to induce APAP-induced hepatotoxicity, four groups (Groups 2, 3, 4, and 5) acquired a single intraperitoneal injection of 600 mg/kg APAP. The presence of APAP-induced hepatotoxic effect was proven by elevated AST and ALT levels, which are typical biomarkers of liver function in addition to the demonstration of histopathological changes. The findings suggest that pre-treatment with safranal may offer a protective effect against hepatotoxicity by attenuating oxidative stress and the inflammatory response.

The Lamiaceae family contains bioactive medicinal compounds mostly used as ornamental plants and traditional medicine, as well as in the food, cosmetics, and pharmaceutical sectors. Common uses include treating high cholesterol, diabetes, respiratory diseases, heart disease, and food poisoning. These medicinal uses were linked to their components and numerous biological properties, including antimicrobial and antioxidants. The goal of this study was to investigate the phytochemicals and biological activities of the petroleum ether extract of Thymus capitatus plant from two different regions of eastern Algeria (Souk ahras and Guelma), as well as to extract volatile oils using a Clevenger device and then analyze by using GC-MS. The results revealed that the total amount of phenolic compounds was better in the phenolic extract of Souk Ahras (3.41 mg GAE g −1 ), while the amount of flavonoid compounds was higher in the region of Guelma (26.31 mg QE g −1 ). Following the quantification of phenolic compounds by HPLC, we observed that the phenolic extracts contained most of the standard compounds in variable proportions. Furthermore, we tested the antioxidant activity of the phenolic compounds electrochemically with the cyclic voltammetry method. We concluded that the highest antioxidant content was recorded in the Guelma region extract (3.17 mg GAE g −1 ). We have also evaluated the antioxidant activity by a chemical method using 2,2-diphenyl-1-picrylhydrazyl, and the results showed that the Guelma extract exhibited a high effectiveness in terms of IC 50 % values. When extracting the volatile oils, it was found that the highest yield was in the Guelma region

Saussurea costus ( S. costus ) is a medicinal plant from the Asteraceae family that is widely used in traditional medicine in Saudi Arabia. This study examines S. costus root extract for its chemical composition and its antioxidant, anti-cancer, and antibacterial properties. The results of the study on the methanol root extract of S. costus reveal a rich chemical composition, as identified by GC-MS/FID analysis. The extract also showed high levels of total phenolic content (188.2 ± 2.1 mg GAE/g DM) and total flavonoid content (129 ± 2.6 mg QE/g DM). In antioxidant tests, the extract exhibited strong activity, with the half-maximal inhibitory concentration (IC 50 ) values of 137.15 μg/mL for ABTS and 175.5 μg/mL for DPPH as compared to positive control’s IC 50 values of 45.5 ± 0.3 μg/mL for ABTS and 55.3 ± 0.1 μg/mL for DPPH. The cytotoxic assessment against MCF-7 and A549 cell lines showed notable effects, particularly at higher concentrations. Additionally, the extract induced apoptosis in these cell lines, evidenced by changes in gene expression. Antibacterial tests revealed significant activity against various strains, with MIC values ranging from 7.81 to 125 μg/mL. The study underscores the importance of plant extracts in modern healthcare and suggests future research directions, including clinical applications and compound identification.

Dysphania ambrosioides (L.) holds a prominent place in Moroccan folk medicine due to its therapeutic attributes. Despite its widespread use, instances of inadvertent intoxication linked to its consumption have been reported. This study aims to evaluate the potential cytogenotoxic effects of D. ambrosioides leaf aqueous extract (DAAE) and explore the prospective protective role of vitamin C ( l -ascorbic acid) through the micronucleus test conducted on (1) Vicia faba root-tip meristem and (2) mouse bone marrow cells. In addition, antioxidant enzyme activities, specifically superoxide dismutase (SOD) and catalase (CAT), were evaluated in V. faba treated with DAAE. After a 7-day daily administration of DAAE to mice, serum biochemical parameters (aspartate aminotransferase, alanine aminotransferase, alkaline phosphatase, creatinine, and uric acid) were measured, and histological examination of liver and kidney tissues was performed. The results indicated that DAAE had dose-dependent cytotoxic and genotoxic effects on both biological models. Furthermore, V. faba treated with DAAE showed significant increases in the activities of SOD and CAT enzymes. Mice treated with DAAE exhibited significant elevations in serum biochemical parameters compared to the control group. Histological examination of liver and kidney tissues revealed hepatic degeneration, glomerular shrinkage, and distinct vacuolated tubular epithelial cells. The cotreatment with vitamin C demonstrated a significant protective effect against DAAE-induced cytogenotoxicity. These findings underscore the importance of vitamin C as a protective agent against oxidative stress and cytogenotoxicity induced by DAAE and recommend its use in any DAAE-based preparation.

In the Algerian desert, individuals often enjoy a soothing cup of herbal tea made from Ephedra alata Decne before bedtime; this aids in their relaxation. Our previous and earlier investigations demonstrated the richness of the shrub in terms of polyphenols and flavonoids and their effective medicinal properties. In the light of that fact, our interest has been aroused to check for other types of metabolites and for the protective ability of the shrub crude extract (SCE) regarding chemically induced edema and subacute toxicity (following a formalin-induced paw edema model and using a carbamate pesticide “pirimicarb” as a toxic agent, in Wistar male rats, respectively). Evidently, the SCE was used as a preventive agent. Swelling of formalin-injected foot was measured, and the anti-edematous ability was expressed as a percent of paw edema. At the end of induced subacute toxicity procedure, many investigations were carried, namely, checking for biochemical several parameters (hepatic, renal), hematological parameters, oxidative stress status (OSS), and histological examining of liver, spleen, and kidney tissues. The results revealed a remarkable anti-edematous effect. Furthermore, the association of the SCE effect has clearly minimized the OSS, the tissue aberrations, and the disturbance of the other metabolic parameters, along with a reduced immunodepression that was provoked under the effect of pirimicarb. In conclusion, pirimicarb has an important deleterious impact on metabolic and immune functions, and the studied shrub has exhibited an amazing protective potential against chemically induced inflammation and toxicity.

Plant-derived bioactive compounds displayed major therapeutic and chemo-preventive roles in the pathogenesis of numerous chronic malignancies such as cancer and enhanced oxidative stress and inflammation. Antioxidants found in food, such as genkwanin, may reduce oxidative stress and the release of cytokines or pathways that promote inflammation. The goal of this work is to summarize the potential for anticancer effects of genkwanin, a methoxyflavone that is present in a variety of plant species. This review examined and analyzed numerous research studies on identifying, isolating, measuring, and analyzing anticancer properties of genkwanin. The mechanisms involved cellular and molecular activities at various levels, including apoptosis induction and cancer cell growth and proliferation inhibition. Preclinical studies have demonstrated genkwanin’s effects and mechanism of action; however, further research is required to investigate its therapeutic potential thoroughly. Additional research is needed to further our understanding of the pharmacodynamic effects of genkwanin. Additional toxicological study is necessary to evaluate the clinical efficacy and safety of genkwanin, which would help scientists to elucidate a potent drug candidate for cancer management.

Breast cancer (BC) continues to be a primary worldwide health concern despite the tremendous efforts made to deploy novel chemotherapeutic techniques for the treatment of BC. It is, therefore, essential to elucidate better plant-based compounds targeting deregulated signaling components in various cancer cell types. Our objective was to elucidate a potent targeted therapeutic approach by exploiting the anticancerous potential of carvacrol in MDA-MB-231 cells via employing silicon and in vitro approaches. In silico analysis was executed to identify the anticancer potential of carvacrol against BC via targeting crucial signaling component of the NOTCH pathway, namely Jagged-1 and its downstream target cyclin D1. In vitro , assays were also employed to display the antiproliferative potential of carvacrol at the mRNA level in MDA-MB-231 cells via targeting Jagged-1 and cyclin D1 genes. Docking studies using CB DOCK displayed better binding energy of carvacrol (Jagged-1: −5.0 and cyclin D1: −5.8) in comparison to the standard drug, 5-fluorouracil (Jagged-1: −4.5; cyclin D1: −4.6) against these crucial targets. Carvacrol potentially downregulated the expression of these crucial genes along with caspase-mediated apoptosis induction. However, more in vitro assays must be employed to validate its candidature for drug development against BC. This study provided a novel insight into the targeted therapeutic approach using natural products and deregulated signaling components for managing breast carcinoma.

Globally, healthcare is concerned about the rising prevalence of type 2 diabetes. Phytochemicals from medicinal plants have shown great promise in improving human health. The present study aimed to determine the secondary metabolites of Ziziphus oenopolia (L.) fruit extract that contribute to its anti-diabetic activity. The anti-diabetic properties were assessed by in vitro and in silico approaches using α-amylase and α-glucosidase inhibitory assays. Gas chromatography and mass spectroscopy analyses were used to profile Z. oenopolia fruit contents, and a total of four bioactive chemicals and eight phytocompounds were tentatively identified, including flavonoids, terpenoids, phenols, steroids, tannins, and saponins. The Z. oenopolia fruit hydroalcoholic extract inhibits α-amylase and α-glucosidase enzymes in a dose-dependent manner (IC 50 = 328.76 and 337.28 µg/mL, R 2 = 0.979 and 0.981). Additionally, phytochemicals found in Z. oenopolia fruit exhibit the ability to inhibit anti-diabetic targets, specifically α-amylase and α-glucosidase (2QV4 vs 3A4A; correlation coefficient, r = 0.955), as demonstrated by computational analysis. This establishes the fruit as a promising and environmentally friendly option for treating hyperglycemia, highlighting the positive correlation between anti-diabetic objectives. Graphical abstract The evaluation of in vitro and in silico anti-diabetic activity of wild edible fruit Ziziphus oenophilia (L.) extract: molecular docking and statistical analysis.

Graphical abstract Abstract During the current study, the phenolic and flavonoid contents were measured in Physalis acutifolia extracts with Folin–Ciocalteu and AlCl 3 methods, respectively. Various antioxidant assays, including 1,1-diphenyl-2-picrylhydrazyl, ABTS, reducing power, Fe 2+ -phenanthroline reduction, and silver nanoparticle assays, were also conducted, along with anti-enzymatic assays. The cytotoxicity of the ethanolic extract was assessed on cancer cell lines (i.e., CAPAN-1 and dld-1) and a healthy cell line (i.e., L929). Optimal parameters for polyphenol extraction were determined: extraction time of 72 h, solvent-to-plant ratio of 10 mL/1 g, and plant concentration of 90%. The n -butanol extract showed the highest phenolic and flavonoid contents (i.e., 263.84 mg GAE/g dw and 72.03 QE/g dw, respectively), along with superior antioxidant and anti-enzymatic activities with IC 50 values of 49.77 and 187.12 µg/mL with acetylcholinesterase and butyrylcholinesterase assays, respectively. LC-ESI-MS/MS analysis revealed 12 components, with hesperidin being the most abundant (i.e., 1829.0001 µg/g). The ethanolic extract exhibited cytotoxic effects on cancer cell lines, with an IC 50 value of 0.959 mg/mL for dld-1, but with no effect on healthy cells. The bioavailability scores of the identified components support the in vitro findings and confirm the different assessed therapeutic effects.

The present study evaluated the potential of Salvia balansae from the Aures Mountains as a source of natural bioactive compounds. Leaves, flowers, and stems were extracted separately using methanol, ethanol, and acetone. Phenolic compounds were quantified colorimetrically and identified using liquid chromatography coupled with mass spectrometry (LC-MS). Antioxidant capacity was assessed using six different in vitro assays, 2,2′-azinobis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt, 1,1-diphenyl-1-picrylhydrazyl, cupric reducing antioxidant capacity, ferric reducing antioxidant power, ferrous ion chelating, and phenanthroline assay, while the photo-protective capacity was evaluated using the sun protective factor. The methanolic flower extracts revealed the highest O-diphenol and phenolic levels (287.9 ± 0.50 and 147.87 ± 0.21 µg GAE/mg, respectively), whereas the acetonic and ethanolic leaf extracts contained the highest flavonoid (72.17 ± 0.12 μg QE/mg) and flavonol (35.28 ± 0.05 μg QE/mg) levels, respectively. LC-MS was used to identify 18 phenolics, including quinic acid (5.051–69.69 ppm), luteolin-7- o -glucoside (7.802–44.917 ppm), apigenin-7- o -glucoside (3.751–68.507 ppm), and cirsiliol (2.081–15.608 ppm), distinguishing this Aures taxon. Principal component analysis and unweighted pair-group method with arithmetic mean revealed variability in phytochemicals, antioxidant properties, and photo-protective activity influenced by biological activities and the compound content. Overall, S. balansae demonstrated promising photo-protective capacity, the presence of key bioactive compounds, and wide-ranging antioxidant potential, presenting this endemic plant as a valuable source of natural antioxidants and photo-protective agents with pharmaceutical and cosmetic applications.

Aloe species are known for the treatment of various conditions including diabetes mellitus, hypocholesteremia, and glycation end products. Nevertheless, the biological activity of Aloe armatissima is yet to be reported. It is a first-time report to evaluate the Aloe armatissima leaves (AAL) extract for its antioxidant, anti-glycation, anti-hyperglycemic, and anti-hyperlipidemic potential. In vitro tests of 1,1-diphenyl-2-picrylhydrazyl for the antioxidant and HSA for the antiglycation activity whereas in vivo models were used to assess the toxicity, antihyperglycemic, and anti-hypercholesteremic effects. The volatile profile was determined via gas chromatography-mass spectrometry. The IC 50 values of 116 ± 0.66 (μg/mL) for antioxidant activity and 0.21 ± 0.009 (mg/mL) for antiglycation activity were observed for the AAL extract. The acute toxicity in the animal model revealed a lack of toxicity for the extract. The in vivo models exhibited a dose-dependent hypoglycemic and anti-hyperglycemic effects with significant ( P < 0.01) blood glucose levels reduction. Moreover, a profound decrease in serum cholesterol, triglyceride, and LDL along with a significant ( P < 0.05) increase in HDL and serum insulin levels was recorded. The statistical analysis demonstrated the values of F (24,125) = 23.95, P = 0.001, effect size = 1.95 (normoglycemic mice), F (24,125) = 143.21, P = 0.001, effect size = 4.79 (glucose loaded mice), and F (24,125) = 82.69, P = 0.001, effect size = 3.6 (diabetic model). GCMS showed the presence of eleven compounds with tetratetracontane (100%), β -sitosterol (27.76), and vitamin E (18.68) in major amounts. The results underscore the extract’s capacity to effectively combat various ailments; however, the active phytochemicals need to be isolated and the pharmacological activities may be established at the molecular level.

Nanotechnology has revolutionized the drug delivery approaches to improve the existing issues of conventional drug delivery systems, especially, the green synthesis of nanoparticles is becoming more suitable for different activities. In this study, phyto-fabricated gold nanoparticles (GNPs) were synthesized using Zanthoxylum armatum aqueous extract. GNPs were characterized by different techniques using UV-Vis absorption spectroscopy, X-Ray diffraction (XRD), Fourier transformation infrared spectroscopy (FTIR), Dynamic light scattering (DLS), and scanning electron microscopy (SEM). UV-Vis spectroscopy showed peak at 550 nm. XRD confirmed the crystalline nature of nanoparticles. FTIR showed presence of different functional groups such as C–O, N–H, C═O, C–H, and O–H. SEM and DLS have shown particle size of 30 nm. The antibacterial activity of plant extract and green synthesized GNP were tested against Staphylococcus aureus, Bacillus cereus, Escherichia coli , and Klebsiella pneumonia which revealed remarkable inhibition of these microorganisms. Burn wound was created on 16 rats and randomized into four groups. Group I was untreated. Group II rats were treated by applying topical ointment cream. Group III rats were treated by applying Zanthoxylum armatum cream, and group IV rats were treated by applying GNPs-based cream. Treatment was carried out for 14 days. Wounds treated with GNPs-based cream decreased consistently and almost completely. It can be concluded that GNPs-based cream can be used as an ointment to treat wounds especially burn wounds. Graphical abstract

Geraniaceae are typically used as diuretic, anti-diarrhoeal, stomachic, and anti-hemorrhagic drugs. This study examined the phytochemicals and bioactivities in methanolic extract (ME) and petroleum ether extract (PEE) of the Erodium trifolium aerial part. Inductively coupled plasma mass spectrometry was used to assess the mineral profiles, high-performance liquid chromatography coupled with mass spectrometry (HPLC-MS) and high-performance liquid chromatography with diode-array detection (HPLC-DAD) were used to assess the phenolic content of ME, and gas chromatography-mass spectrometry (GC-MS) was used to assess the fatty acid and volatile composition of the PEEs. In addition, the bioactivities of extracts were evaluated by using the 1,1-diphenyl-2-picrylhydrazyl, ABTS, and cupric reducing antioxidant capacity assays, including enzyme inhibition against acetylcholinesterase (AChE), butyrylcholinesterase (BChE), α-amylase, α-glucosidase activities, and antibacterial properties. HPLC-MS identified eight compounds in ME: rutin, catechin, and caffeine were the major phenolic compounds detected. HPLC-DAD analysis showed that 11 compounds detected among epicatechin, catechin, chlorogenic acid, and gallic acid were predominant. GC-MS analysis revealed 30 fatty acids in PEE, with palmitic acid and oleic acid being predominant. The mineral content showed that Fe was the abundant microelement, and Ca and K were the abundant macroelements. The ME exhibited the highest activity compared to the PEE in all tests regarding antioxidant and antibacterial activities. Furthermore, all the extracts showed moderate inhibition against AChE, BChE, α-amylase, and α-glucosidase. In conclusion, E. trifolium may be employed to separate novel bioactive metabolites with potential pharmaceutical activities. Graphical abstract

Substantial research is currently conducted focusing on the development of promising antiviral drugs employing in silico screening and drug repurposing strategies against SARS-CoV-2. The current study aims at identifying lead molecules targeting SARS-CoV-2 by the application of in silico and molecular dynamics (MD) approaches from phytoconstituents present in Homalomena aromatica . The main protease (M pro ) enzyme of SARS-CoV-2 is taken as the target protein to perform the docking analysis of 71 molecules reported from H. aromatica by the application of different modules of Discovery Studio 2018. Five molecules were taken as prospective leads namely dihydrocuminaldehyde, p -cymen-8-ol, cuminaldehyde, p -cymene, and cuminol. In the absence of known inhibitors, a comparative study was performed with the compounds reported in the literature and potent terpenoid–metal complexes were taken into account based on known efficacy as anti-viral molecules. After performing the docking studies with Mpro enzyme of SARS-CoV-2, it was observed that the –CDocker Energy of cuminaldehyde thiosemicarbazone was 29.152, indicating a significant affinity toward Mpro. The same was also supported by the MD study. Taken together, our results provided in silico evidence that secondary metabolites derived from H. aromatica could be employed as potent antiviral agents targeting SARS-CoV-2. Our findings warrant further validation of their in vitro and in vivo efficacies prior to their development into bona fide therapeutic agents.

6-Methoxyflavone (6-MOF) is a flavonoid that has been reported to be a GABA-A receptor agonist and reverses cisplatin-induced hyperalgesia and allodynia. Considering the varied neuropharmacological profile of 6-MOF, this study was intended to determine the pharmacological effects of 6-MOF on locomotion, anxiety, novel object recognition (NOR), depression, spatial memory, socialization behavior, nest-building behavior, and depression in various groups of mice. Selected groups of mice were injected with 25, 50, and 75 mg/kg 6-MOF. Using HPLC-UV, the frontal cortex, striatum, and hippocampus of the sacrificed mice were analyzed for the levels of vitamin C, dopamine, serotonin, noradrenaline, adenosine, and its metabolites. Statistical analysis showed significant results in socialization behavior and elevated plus maze with 75 mg/kg. In Y-maze, NOR 6-MOF showed significant results at all three doses, while in tail suspension test (TST), 50 and 75 mg/kg showed significant results; however, no statistical significance was observed in nest-building behavior; 50 and 75 mg/kg 6-MOF showed significant results in the Morris water maze. 6-MOF raised vitamin C levels in the frontal cortex and hippocampus. Serotonin, dopamine, and nor-adrenaline levels were raised in the hippocampus and striatum. It has also imparted region-specific neuroprotection by improving adenosine and its metabolite levels. In silico studies performed using PyRx have shown that the minimum binding energy of 6-MOF with antioxidant enzyme is −7.1 k/cal/mol. The binding energy showed that 6-MOF was successfully docked with an anti-oxidant enzyme. In conclusion, in silico and behavioral studies showed that 6-MOF can be a potential candidate for the treatment of cognitive decline, anxiety, and depression.

Several varieties of Solanum lycopersicum L. are consumed in Saudi Arabia, including the most expensive Ramis tomato, which is claimed to be rich in antioxidants. However, there is a lack of studies on the extraction and quantification of antioxidants in tomatoes marketed in Saudi Arabia. Therefore, this study aimed to develop a straightforward method to extract and quantify phenolics and carotenoids in tomatoes consumed in Saudi Arabia. The developed method used glass coverslips for homogenisation and a methanol-petroleum ether mixture for extraction. In 15 investigated varieties, antioxidants were abundantly present in the skin part (2.0 ± 0.72 mg/g of phenolics and 229.50 ± 21.10 μg/g of carotenoids) compared to the pulp (0.67 ± 0.20 mg/g of phenolics and 107.70 ± 21.10 μg/g of carotenoids). Generally, the Saudi varieties contained higher amounts of antioxidants than the imported varieties. The antioxidant content of the Ramis cultivar depends on the cultivation location. For instance, Ramis Awjam shows high amounts of phenolics (2.72 mg/g in the skin extract and 0.63 mg/g in the pulp) and carotenoids (338.04–388.41 μg/g in the skin and 173.93–205.75 μg/g in the pulp). This study provides valuable insights that can assist in selecting the cultivar and location of tomatoes with the maximum antioxidant quantities.

Leishmaniasis is one of the global health issues and is still being handled with costly and sometimes unsuccessful compounds having serious side effects, highlighting the importance of seeking new potent antileishmanial compounds. Herbal medicines have been considered as the main source of prevention and treatment for a wide variety of diseases as well as other photogenetic diseases over the last few centuries. The current study was designed to investigate the in vitro and in vivo antileishmanial efficacy of ethanolic and methanolic extracts of Berberis vulgaris root collected from Kurez region of District Orakzai, Khyber Pakhtunkhwa, Pakistan. Stationary growth-phase metacyclic promastigotes form of Leishmania tropica was incubated in vitro in methanolic and ethanolic extracts using amphotericin B as a positive control. The antileishmanial activity of B. vulgaris extracts was measured after the incubation period using methoxynitrosulfophenyl-tetrazolium carboxanilide assay. For the in vivo study, BALB/c mice were infected with metacyclic L. tropica promastigotes, and lesions appeared after 28 days of inoculum. The results of study research showed that B. vulgaris extract had a powerful antileishmanial activity on promastigotes of L. tropica at different concentrations (5, 10, 25, 50, and 75 μg/mL). The inhibition concentration 50 values for ethanolic and methanolic extracts of B. vulgaris were determined to be 15.37 and 17.55 μg/mL, respectively. In the in vivo activity, it was observed that B. vulgaris ethanolic extract at the concentration of 1.5 mg/kg decreased the lesion diameter in BALB/c infected mice. The ethanolic extract topically and orally reduced the lesion size 0.51 ± 0.023 and 0.56 ± 0.008 mm, while methanolic extract both topically and orally decrease the lesion diameter of 0.63 ± 0.008 and 0.68 ± 0.009 mm relatively, in comparison with negative control (1.45 ± 0.016 mm). Hematological parameters of mice including blood red blood cells, hematocrit, and hemoglobin in mice groups (infected non-treated) were found to be decreased, while the mice group treated with extract demonstrated nearly similar results to non-infected group. It is concluded from the current study that antileishmanial activity of B. vulgaris from Pakistan against L. tropica in both in vitro and in vivo showed a promising antileishmanial activity. This study might be helpful in the control strategies of cutaneous leishmaniasis caused by L. tropica .