Band 18, Heft 1

In this study, an electrochemical biosensor based on guanine and chitosan immobilized MoS 2 nanosheet modified glassy carbon electrode (guanine/CS/MoS 2 /GCE) was developed and employed for antioxidant screening and antioxidant capacity evaluation. The oxidation peak current of guanine was improved and nearly tripled after modifications of chitosan and MoS 2 nanosheet. The immobilized guanine could be damaged by hydroxyl radicals generated in Fenton solution. However, in the presence of antioxidants, the guanine was protected and the oxidation peak current of guanine increased. This process mimics the mechanism of antioxidant protection in human body. The factors affecting preparation of sensor and detection of antioxidant capacity were optimized. At the optimum conditions, the guanine/CS/MoS 2 /GCE showed wide linear range, low detection limit, satisfactory reproducibility and stability for detection. Ascorbic acid was used as a model antioxidant to evaluate the antioxidant capacity. A good linearity was observed with a correlation coefficient of 0.9959 in the concentrations between 0.5 and 4.0 mg L -1 . The antioxidant capacities of three flavonoids were also tested and the rank of antioxidant capacities was ascorbic acid (51.84%), quercetin (45.82%), fisetin (34.39%) and catechin (16.99%). Due to the rapid measurement and low cost, this sensor could provide an available sensing platform for antioxidant screening and evaluation.

Vanillic acid is used in the food industry and perfumery, and the optimization of its extraction process from the natural source is important for saving time and money. The presence of vanillic acid in pumpkin seeds was proven using HPLC analysis. Computational optimization of the extraction shows that for the concentration of ethanol 40% and solmodul: V/m=20, the optimum condition for the extraction of vanillic acid from pumpkin seeds was 100 min and 450C. The estimation of fitting for each kinetic model to the experimental kinetic data was performed using the root mean square, standard deviation, and the correlation coefficient. Ponomarev model was shown as the most suitable with the highest accuracy among the six considered kinetic models. The enthalpy and entropy changes were positive, while the Gibbs free energy was negative and decreased when temperature increased during the thermodynamic analysis. Therefore, the extraction of vanillic acid from pumpkin seeds was endothermic, spontaneous, and irreversible.

For a simple graph G , the atom–bond connectivity index ( ABC ) of G is defined as ABC ( G ) = ∑ uv∈ E(G)d(u)+d(v)− 2d(u)d(v), $\sum_{uv\in{}E(G)} \sqrt{\frac{d(u)+d(v)-2}{d(u)d(v)}},$where d ( v ) denotes the degree of vertex v of G . In this paper, we prove that for any bipartite graph G of order n ≥ 6, size 2 n − 3 with δ ( G ) ≥ 2, ABC(G)≤ 2(n− 6)+23(n− 2)n− 3+2, $ABC(G)\leq{}\sqrt{2}(n-6)+2\sqrt{\frac{3(n-2)}{n-3}}+2,$and we characterize all extreme bipartite graphs.

There is limited literature on the antioxidative properties of food of animal origin. Measurements of antioxidative properties are usually performed using the reaction of reduction of colored 2,2-diphenyl-1-picrylhydrazyl (DPPH) radials. Changes of the DPPH color are tracked photometrically. These measurements are interfered by both, the tested samples and reduced DPPH. This study aims to demonstrate the ability to separate different forms of DPPH (DPPH • and DPPH-H) by thin-layer chromatography (TLC). Further, it has been practically applied in the study of the determination of antioxidative properties of the meat samples. It was found that TLC can be used for the separation of different forms of DPPH as well as for measurement of TAP (total antioxidant potential) values related to the DPPH • . The strongest antioxidant properties were observed for pork neck extracted in buffer pH 2 and for smoked salmon fish extracted in acetone, the lowest for veal and turkey fillet extracted in methanol.

Molecular dynamics (MD) analysis of methane hydrate is important for the application of methane hydrate technology. This study investigated the microstructure changes of sI methane hydrate and the laws of stress–strain evolution under the condition of compression and tension by using MD simulation. This study further explored the mechanical property and stability of sI methane hydrate under different stress states. Results showed that tensile and compressive failures produced an obvious size effect under a certain condition. At low temperature and high pressure, most of the clathrate hydrate maintained a stable structure in the tensile fracture process, during which only a small amount of unstable methane broke the structure, thereby, presenting a free-motion state. The methane hydrate cracked when the system reached the maximum stress in the loading process, in which the maximum compressive stress is larger than the tensile stress under the same experimental condition. This study provides a basis for understanding the microscopic stress characteristics of methane hydrate.

To assess trace element concentrations (Zn, Cu, Pb, Cr, Cd and Ni) in the mangrove swamps along the Saudi coast of the Arabian Gulf, thirteen samples of surface sediment and leaves of grey mangrove, Avicennia marina were collected and analyzed. The detected trace element contents (μg g -1 ) in surface sediments were in the following descending order according to their mean values; Cr (49.18) > Zn (48.48) > Cu (43.06) > Pb (26.61) > Ni (22.88) > Cd (3.21). The results showed that the average concentrations of Cd and Pb exceeded their world average concentration of shale. The geo-accumulation, potential ecological risk and toxicity response indices demonstrated that trace elements have posed a considerable ecological risk, especially Cd. The inter-relationships between physico-chemical characters and trace elements suggests that grained particles of mud represent a noteworthy character in the distribution of trace elements compared to organic materials. Moreover, the results revealed that Zn was clearly bioaccumulated in leaf tissues A. marina . Dredging, landfilling, sewage effluents and oil pollution can be the paramount sources of pollution in the area under investigation.

Amino-functionalized graphene oxide (GO-NH 2 ) was synthesized by grafting (3-aminopropyl) triethoxysilane on the graphene oxide (GO) surface. The GO-NH 2 with high surface area and numerous active sites can efficiently adsorb Cr(VI), Cu(II), Pb(II) and Cd(II) ions. The maximum adsorption capacities of GO-NH 2 for Cr(VI), Cu(II), Pb(II) and Cd(II) were 280.11, 26.25, 71.89 and 10.04 mg g −1 , respectively. The pseudo-first-order and pseudo-second-order kinetic models were employed to describe the kinetic processes. The experimental data agreed well with the pseudo-second-order kinetic equation, and the adsorption of heavy metals onto GO-NH 2 occurs via chemical adsorption. The characteristics of Cr(VI), Cu(II), Pb(II) and Cd(II) in the GO-NH 2 adsorption processes were analyzed using the Langmuir and Freundlich isotherm models. The adsorption processes of Pb(II) and Cd(II) on GO-NH 2 were fit by the Langmuir model. The Freundlich isotherm model was well correlated to Cr(VI) and Cu(II). The GO-NH 2 is a promising material for the removal of heavy metal ions from industrial wastewater. This study provides an effective pathway to process industrial wastewater, and the GO-NH 2 has a good adsorption effect for the treatment of heavy metals in industrial wastewater.

The purpose of this research was to investigate the chemical composition of essential oils (EOs) from: Origanum vulgare L., Satureja hortensis L., Thymus serpyllum L. and Thymus vulgaris L. (Lamiaceae) cultivated in Poland, and to study their antifungal activity towards clinical isolates of oral Candida spp. The hydrodistilled essential oils were analyzed using the GC-MS method. The antifungal activity was evaluated in vitro against oral isolates and reference strains of Candida albicans and C. glabrata , using the broth microdilution method according to the European Committee on Antimicrobial Susceptibility Testing (EUCAST) and Clinical and Laboratory Standards Institute (CLSI) guidelines, allowing for estimation of minimal inhibitory concentration (MIC) and minimal fungicidal concentration (MFC). GC-MS analysis revealed that carvacrol was the main EO compound in oregano and summer savory, while thymol and linalool were the major ingredients of thyme and wild thyme oils, respectively. The EOs possessed fungicidal activity against C. albicans and C. glabrata , including oral isolates, with MIC = 125 – 2000 mg/L, MFC = 250 – 4000 mg/L and MFC/MIC = 1 – 4, depending on the yeast and plant species. The most active was thyme oil – with MIC = 125 – 500 mg/L, MFC = 250 – 500 mg/L and MFC/MIC = 1 – 2.

190 children aged 7-18 years from an endemic fluorotic village “Talab Sarai (n = 130) and a non-fluorotic, control, village “Ottawa” (n = 60) were selected for comparison. Children were examined for fluoride (F-) concentration in drinking water, urine, and serum as well as Dental fluorosis (DF) and thyroid hormone levels. The mean concentration of water fluoride (WF) in the sample group was 6.23 mg/L, urine fluoride (UF) 3.38 mg/L, and serum fluoride (SF) 0.21 mg/L, while DF was 93.07%. Significant elevations ( P = 0.000) in the concentration of all these four variables were observed in sample group children as compared to control. Mean Free Tetra-iodothyronine (FT4), Free Tri-iodothyronine (FT3) and Thyroid Stimulating Hormone (TSH) concentrations in the sample group were 16.64pmol/L, 5.57 pmol /L and 4.41 mlU/L, respectively. No marked difference in FT4 ( P = 0.1) was noted, while significant elevations in FT3 and TSH ( P = 0.000) were found in the sample relative to the control group. 80% of the children displayed clear thyroid hormonal derangements, with 36.92% having high TSH and 43.07% with FT3 and FT4 disorders. A moderate to strong correlation among WF, UF, SF and DF (r = 0.94, 0.60, 0.60, 0.72) and a very strong correlation between WF and TSH (r = 0.9) were observed. Our results suggest that excess F- level that is four times greater than the “safe limit” is not only increasing fluoride concentration in body fluids but is also affecting thyroid hormones in 4 out of 5 children which could lead to abnormal physical and mental growth in later developmental stages.

Sixteen new isoxazole tagged indole compounds have been synthesized via copper (I) catalyzed click chemistry of the aryl hydroxamoyl chloride and an indole containing alkyne moiety. The chemical structure of the synthesized compounds has been established using various physicochemical techniques. X-ray single crystal analysis of Ethyl 1-((3-phenylisoxazol-5-yl) methyl)-1 H -indole-2-carboxylate (8a) has been analyzed. All compounds were tested for their antibacterial and anticancer activities. The activities for the new compounds were weak against both bacterial strains and the cancer cell lines.

Intracellular pyridoxal 5´-phosphate (PLP) -dependent recombinant phosphoserine aminotransferases (PSATs; EC 2.6.1.52) from two alkaliphilic Bacillus strains were overproduced in Escherichia coli , purified to homogeneity and their enzymological characteristics were compared to PSAT from neutralophilic E. coli . Some of the enzymatic characteristics of the PSATs from the alkaliphiles were unique, showing high and sharp pH optimal of the activity related to putative internal pH inside the microbes. The specific activities of all of the studied enzymes were similar (42-44 U/mg) as measured at the pH optima of the enzymes. The spectrophotometric acid-base titration of the PLP chromophore of the enzymes from the alkaliphiles showed that the pH optimum of the activity appeared at the pH wherein the active sites were half-protonated. Detachment of PLP from holoenzymes did not take place even at pH up to 11. The kinetics of the activity loss at acid and alkaline pHs were similar in all three enzymes and followed similar kinetics. The available 3-D structural data is discussed as well as the role of protons at the active site of aminotransferases.

Different benzylic compounds were efficiently oxidized to the corresponding ketones with aqueous 70% tert- butyl hydroperoxide (TBHP) and the catalytic system composed of CuCl 2 .2H 2 O and 2,2’-biquinoline-4,4’-dicarboxylic acid dipotassium salt (BQC). The catalytic system CuCl 2 /BQC/TBHP allows obtaining high yields at room temperature under organic solvent-free conditions. The interest of this system lies in its cost effectiveness and its benign nature towards the environment. Benzylic tert butylperoxy ethers and benzylic alcohols were observed and suggested as the reaction intermediates. Analysis of organic products by atomic absorption did not show any contamination with copper metal. In terms of efficiency, CuCl 2 /BQC system is comparable or superior to the most of the catalytic systems described in the literature and which are based on toxic organic solvent. Graphical Abstract

The essential oil of Ducrosia ismaelis Asch. (Apiaceae) that grows wild in Saudi Arabia was investigated utilizing gas chromatography (GC), and gas chromatography-mass spectrometry. Fifty constituents were characterized, representing 96.1% of the total oil. The D. ismaelis essential oil (DIEO) was distinguished by a high composition of oxygenated monoterpenes (51.6%). Decanal (40.6%), α-pinene (15.1%) and dodecanal (13.7%) were the fundamental components. Additionally, DIEO was evaluated for its cytotoxic, antibacterial, antifungal and antioxidant activities. DIEO revealed a great cytotoxic effectiveness against the tested cancer cell lines with IC 50 values between 66.2 and 137.3 μg/mL particularly against MCF-7 cancer cells. Furthermore, the induction of apoptosis against MCF-7 cells has been asserted using staining assay (annexin VFITC and/or propidium iodide (PI) dyes) and flow cytometry technique. The DIEO possessed a strong antimicrobial activity against Gram-positive bacterial and fungal strains with MIC-values between 0.07 and 0.31 mg/ml. The values of MBC or MFC were almost once higher than those of MIC’s. Moreover, the β-carotene-bleaching and DPPH free radical-scavenging tests showed that DIEO had a moderate activity (68%) as an antioxidant agent in decolouring of the β-carotene at 1.0 mg/mL and a moderate radical scavenging for DPPH (66 and 72%) at 0.50 and 1.0 mg/mL.

Initially made for medical treatment for Parkinsonism, obesity, and depression, cathinones have become illegal drugs for the “recreational use”. The mechanism of action of synthetic cathinones consists of the inhibition of monoamine transporters. DFT (Density Functional Theory) calculations on the selected cathinones (3-FMC, 4-FMC, 4-MMC, Buphedrone, Butylone, Ethylone, MDPV, Methcathinone, and Methylone) were performed using B3LYP level of the Gaussian 09 program suite. The unscaled B3LYP/6–31G vibrational wavenumbers are in general larger than the experimental values, so the use of selective scaling was necessary. The calculated spectra of selected cathinones are in good correlation with the experimental spectra which demonstrates that DFT is a good tool for the prediction of spectra of newly synthesized and insufficiently experimentally characterised cathinones. Also, HOMO-LUMO (Highest Occupied Molecular Orbital-Lowest Unoccupied Molecular Orbital) analysis shows that 3-FMC possesses the minimum energy gap of 3.386 eV, and the molecule 4-FMC possesses the maximum energy gap of 4.205 eV among the investigated cathinones. It indicates that 3-FMC would be highly reactive among all the cathinones under investigation.

Solute transport through the clay liner is a significant process in many waste landfills or unmanaged landfills. At present, researchers mainly focus on the test study about semi-membrane property of clay material, however, the influence of chemical osmosis caused by membrane effect on solute transport and fluid velocity is insufficient. In this investigation, based on the classical advection-diffusion equation, a one-dimensional solute transport model for low-permeable clay material has been proposed, in which the coupled fluid velocity related with hydraulic gradient and concentration gradient is introduced, and the semi-membrane effect is embodied in the diffusion mechanism. The influence of chemical osmosis on fluid velocity and solute transport has been analyzed using COMSOL Multiphysics software. The simulated results show that chemical osmosis has a significant retarded action on fluid velocity and pollutant transport. The proposed model can effectively reveal the change in process of coupled fluid velocity under dual gradient and solute transport, which can provide a theoretical guidance for similar fluid movement in engineering.

The aim of this work was to evaluate in vitro antiradical scavenging activity of propolis from Nkambe (North-West, Cameroon). The polyphenol content of the acetone extract was evaluated using the Folin-Ciocalteu reagent as 0.166±0.008 gGAE/100 gRM. Antiradical scavenging activity of hexane and acetone extracts was carried out on DPPH using ascorbic acid as standard. The results showed that the extracts possess antiradical activity with IC 50 of 141 μg/mL and 267 μg/mL for acetone and hexane extracts, respectively. The column chromatography separation on silica gel of the hexane fractionyielded compounds 1 to 3 . The structures of these compounds were elucidated by NMR and mass spectrometry data as Lupenone ( 1 ), a mixture of α and ß -Amyrin ( 2 ) and lastly Hexatriacontanoic acid ( 3 ) which was described for the first time from propolis.

Three stigmastane steroids: 6-hydroxystigmast-4-en-3-one (1), stigmast-4-en-3-one (2), and 3-hydroxystigmast-5-en-7-one (3) were successfully isolated from the acetone extract of Dryobalanps oblongifolia stem bark. The structural determination of isolated compounds was carried out on the basis of data analysis of NMR and MS spectra. In order to identify the antiplasmodial activity, the isolated compound was put to test against Plasmodium falciparum 3D7. Antiplasmodial activity of the isolated compounds showed that the IC 50 values of 6-hydroxystigmast-4-en-3-one were 37.29 μg/mL while the IC 50 values of stigmast-4-en-3-one were 43.54 μg/mL and the IC 50 values of 3-hydroxystigmast-5-en-7-one were 13.34 μg/mL (chloroquine phosphate was used as a positive control, IC 50 0.006 μg/mL). Judging from the results, the isolated compounds were proven to demonstrate mediocre antiplasmodial activity. Compound ( 3 ) indicated a better antimalarial activity than compound ( 1 ) and ( 2 ), even though there was no satisfactory activity that indicated its ability to combat chloroquine. Therefore, it might not be developed as an antimalarial drug.

Extracts of Cyclocarya paliurus (CP) leaves, a popular sweet tea, inhibit pancreatic β cell apoptosis and have potent hypoglycemic effects, but the identities of the anti-apoptotic bioactive components are still unknown. In the present study, a method using UPLC-Q-TOF/MS based on serum pharmacochemistry combined with target cell extraction was established to rapidly identify direct-acting pancreatic protectants from CP. After orally administering a set amount of CP extract to rats, blood samples were collected to characterize the components that can be absorbed into the blood using UPLC-Q-TOF/MS. Also, target cells (pancreatic β NIT-1 cells) were incubated with CP extract for 24 hours, and cells were collected to identify the components that can bind to the cells using UPLC-Q-TOF/MS. Finally, to evaluate the protective effect of the bioactive components of CP, MTT and TUNEL assays were performed on treated NIT-1 cell induced by streptozotocin (STZ). Three potential direct-acting pancreatic protectants -- kaempferol, quercetin, quadranoside IV -- were identified, and anti-apoptotic effects of kaempferol and quercetin were confirmed in STZ-induced NIT-1 cells. The findings indicate that this combined approach is a feasible, rapid, and expedient tool for capturing potential direct-acting components from natural products such as those from CP leaves.

In the present work, a novel continuous flow system (CFS) is developed for the preconcentration and determination of Cr (VI) using Pseudomonas aeruginosa static biomass immobilized onto an effective and low-cost solid support of powdered eggshells. A mini glass column packed with the immobilized biosorbent is incorporated in a CFS for the preconcentration and determination of Cr (VI) from aqueous solutions. The method is based on preconcentration, washing and elution steps followed by colorimetric detection with 1,5-diphenyl carbazide in sulphuric acid. The effects of several variables such as pH, retention time, flow rate, eluent concentration and loaded volume are studied. Under optimal conditions, the CFS method has a linear range between 10 and 100 μg L -1 and a detection limit of 6.25 μg L -1 for the determination of Cr (VI). The sampling frequency is 10 samples per hour with a preconcentration time of 5 mins. Furthermore, after washing with a 0.1 M buffer (pH 3.0), the activity of the biosorbent is regenerated and remained comparable for more than 200 cycles. Scanning electron microscopy reveals a successful immobilization of biomass on eggshells powder and precipitation of Cr (VI) on the bacterial cell surface. The proposed method proves highly sensitive and could be suitable for the determination of Cr (VI) at an ultra-trace level.

Detoxification and management of environmental contaminants is an exigent issue of current times. Sulfonylurea herbicide, Bensulfuron-methyl was investigated for its degradation demeanour in soils, through biotic and abiotic modes (biodegradation and hydrolysis). Solid-liquid extraction of the herbicide was followed by GC-MS and UV-visible spectrophotometry analysis. The main metabolites observed were pyrimidinamine [149 m/z] and benzylsulfonamide [182 m/z]. The rate of biodegradation achieved by Aspergillus niger and Penicillium chrysogenum was 95% and 71%, respectively. The maximal decline in Bensulfuron-methyl concentration through hydrolysis was 48%. Furthermore, hydrolytic elimination was also evaluated based on time and pH. Both these parameters had a strong influence on the rate of transformation. Soils with lower pH exhibited an increased rate of degradation while a temperature of 27±2°C gave ideal conditions for herbicide decomposition. Percentage degradation and rate constant (k) followed first order reaction kinetics. Non-inoculated soils displayed less amounts of degradation. Furthermore, relative standard deviations were calculated for the residuals extracted in all soils. Analysis of variance (ANOVA) provided a p value < 0.05 for both strains with R 2 closer to 1 signifying the significance of the results. Both fungal strains proved their potential for Bensulfuron-methyl remediation in soils.

Fisetin is a polyphenolic compound with anti-inflammatory and antioxidant properties. Inflammation and reactive oxygen species play a major role in the pathophysiology of the dry eye syndrome (DES). Patients with DES undergo symptomatic treatment using eye drops known as artificial tears. Addition of fisetin into the eye drops could result in a better recovery of the eye surface. This experimental study examines the stability of fisetin in selected eye drops (Arufil, Hypromelóza-P, Ocutein, Refresh). Absorption spectra of fisetin were measured in selected eye drops, dimethylsulphoxide (DMSO), deionized water and normal saline solution (NSS) during a period of four weeks. The fisetin absorption maximum was placed at 350 – 390 nm depending on the solvent. Good stability of fisetin solutions were observed in DMSO and deionized water. The highest stability of fisetin in selected eye drops was observed in Hypromelóza-P. Irreversible fisetin structural changes were detected in Arufil, Ocutein, Refresh and NSS. For further clinical evaluation, fisetin solution in Hypromelóza-P could be examined. Graphical Abstract

In this study, the characteristics of a bioflocculant produced by using activated sludge as raw materials were investigated. The performance of this bioflocculant in the removal of Pb(II) from aqueous solution and the corresponding mechanisms were determined as well. After cultivating a bioflocculant-producing strain in an alkaline thermal pre-treatment sludge for 60 h, approximately 4.45 g of bioflocculant containing a protein backbone was harvested from 1 L of fermentation broth. This bioflocculant can remove 98.5% of Pb(II) from aqueous solutions under optimal conditions, which include a bioflocculant dosage of 6 mg/L and a CaCl 2 concentration of 70 mg/L at a pH of 6.5.

Graph theory assumes an imperative part in displaying and planning any synthetic structure or substance organizer. Chemical graph theory facilitates in conception of the chemical graphs for their atomic properties. The graphical structure of a chemical involves atoms termed as vertices and the line segment between two different vertices are called edges. In this manuscript, our concentration is on the chemical graph of carbon graphite and cubic carbon. Additionally, we also define a procedure and calculate the degree based topological indices namely Zagreb type indices, Balaban, Forgotten and Augmented indices.

In this study, a procedure for producing calcium carbonate whisker through yellow phosphorus slag carbonation without adding any crystal control agents was proposed. The influence of process parameters on the crystal phase and morphology of the product was discussed. The content of aragonite in the product was more than 90% under optimal conditions. The whiteness of the product was 97.6%. The diameter of a single particle was about 1.5–3 μm, and the length of a single particle was about 8–40 μm. Various polymorphs and morphologies of CaCO 3 could be formed by adjusting the production conditions. The by-products produced during the whole preparation process could also be reused. The whole preparation process of fibrous aragonite from yellow phosphorus slag without using any chemical additives was also proposed. These indicated that the production strategy had a good application prospect.

Catechin – a natural polyphenol substance – has excellent antioxidant properties for the treatment of diseases, especially for cholesterol lowering. Catechin can reduce cholesterol content in micelles by forming insoluble precipitation with cholesterol, thereby reducing the absorption of cholesterol in the intestine. In this study, to better understand the molecular mechanism of catechin and cholesterol, we studied the interaction between typical catechins and cholesterol by the density functional theory. Results show that the adsorption energies between the four catechins and cholesterol are obviously stronger than that of cholesterol themselves, indicating that catechin has an advantage in reducing cholesterol micelle formation. Moreover, it is found that the molecular interactions of the complexes are mainly due to charge transfer of the aromatic rings of the catechins as well as the hydrogen bond interactions. Unlike the intuitive understanding of a complex formed by hydrogen bond interaction, which is positively correlated with the number of hydrogen bonds, the most stable complexes (epicatechin–cholesterol or epigallocatechin–cholesterol) have only one but stronger hydrogen bond, due to charge transfer of the aromatic rings of catechins.

A stability-indicating hybrid micelle liquid chromatography accompanied by UV detection was developed for the simultaneous analysis of either paracetamol (PCA) or pseudoephedrine hydrochloride (PSU) with their synthetic impurities. Mixture I contains PCA with p -amino phenol and p -nitro phenol, while mixture II involves the estimation of PSU with benzaldehyde and benzoic acid. Both mixtures were separated using a C18 column that was thermostatically maintained at 40°C and operating under a flow rate of 1.5 mL/min, applying UV detection at 240 nm for mixture I and 220 nm for mixture II. In both cases, the mobile phase consisted of 0.1 M sodium dodecyl sulfate, acetonitrile, and triethylamine (90:10:0.3, v/v/v) and adjusted to pH 4 (mixture I) or pH 3.7 (mixture II) using 2.0 M O -phosphoric acid. The proposed method was validated and successfully applied to assay different pharmaceuticals containing PCA or PSU. Moreover, the stability-indicating nature of the proposed method was proved through applying photolytic degradation procedures for PCA.

Two novel mixed-ligand coordination polymers, {[Co(tdc)(btrp)]·0.67DMF} n (1) and {[Zn 2 (bimb) 2 (tdc) 2 ]·2H 2 O} n (2) involving 2,5-thiophenedicarboxylate (H 2 tdc), and bitopic flexible N-donor ligands, 1,3-bis(1,2,4-triazol-1-yl)propane (btrp) and 1,4-bis((1 H -benzo[ d ]imidazol-1-yl)methyl)benzene (bimb), have been synthesized by the hydrothermal method and characterized via IR, elemental analysis, thermal analysis, and powder X-ray diffraction. The biological functional studies were performed; the treatment activity of the compounds on periodontitis and the specific mechanism was explored. First, the real-time RT-PCR was carried out to determine the inflammatory genes nf-κb and p53 relative expression in periodontal mucosal cells after treating with compounds 1 and 2 . Then, the level of the inflammatory cytokine in the gingival crevicular fluid after treating with compounds was also determined by the ELISA detection kit.

A unique method was used to synthesize extremely stable silver stearate nanoparticles (AgStNPs) incorporated in an organic-based monolith. The facile strategy was then used to selectively isolate hemeproteins, myoglobin (Myo) and hemoglobin (Hb). Ethyl alcohol, silver nitrate, and stearic acid were, respectively, utilized as reducing agents, silver precursors, and capping agents. The color changed to cloudy from transparent, indicating that AgStNPs had been formed. AgStNP nanostructures were then distinctly integrated into the natural polymeric scaffold. To characterize the AgStNP–methacrylate polymeric monolith and the silver nanoparticles, energy-dispersive X-ray (EDX), scanning electron microscopy (SEM), and Fourier-transform infrared (FT-IR) spectroscopy were used. The results of the SEM analysis indicated that the AgStNP–methacrylate polymeric monolith’s texture was so rough in comparison with that of the methacrylate polymeric monolith, indicating that the extraction process of the monolith materials would be more efficient because of the extended surface area of the absorbent. The comparison between the FT-IR spectra of AgStNPs, the bare organic monolith, and AgStNP–methacrylate polymeric monolith confirms that the AgStNPs were immobilized on the surface of the organic monolith. The EDX profile of the built materials indicated an advanced peak of the Ag sequence which represented an Ag atom of 3.27%. The results therefore established that the AgStNPs had been successfully integrated into the monolithic materials. Extraction efficiencies of 92% and 97% were used to, respectively, recover preconcentrated Myo and Hb. An uncomplicated method is a unique approach of both fabrication and utilization of the nanosorbent to selectively isolate hemeproteins. The process can further be implemented by using other noble metals.

The main objective of this study was to develop an ultrasound-assisted dispersive solid-phase microextraction (UADSPME) method for separation and preconcentration of tellurium (Te) and thallium (Tl) in environmental samples prior to inductively coupled plasma-optical emission spectrometry determination. The MPC@SiO 2 @Fe 3 O 4 nanocomposite was used as a nanoadsorbent in the UADSPME method. The nanocomposite was prepared using a coprecipitation and sol–gel method, and it was characterized using scanning electron microscopy/energy-dispersive X-ray spectroscopy, transmission electron microscopy and X-ray powder diffraction techniques. The Box–Behnken design and response surface methodology were used for the optimization of experimental parameters (such as pH, extraction time and mass of adsorbent) affecting the preconcentration procedure. Under optimized conditions, the limits of detection were 0.05 and 0.02 µg L −1 and the limits of quantification were 0.17 and 0.07 µg L −1 for Te and Tl, respectively. The precision expressed as the relative standard deviation (%RSD) was 2.5% and 2.8% for Te and Tl, respectively. Finally, the developed method was applied for the analysis of Tl and Te in real samples.

Manganese( ii ) complexes of oxalic dihydrazones { N , N ′-bis[2-hydroxynaphthylidene]amino]oxamide (BHO) and N , N ′-bis[2-methoxybenzylidene]amino]oxamide (BMO)} have been synthesized by a general methodology. Hydrazone ligands (BHO and BMO) were obtained by the condensation of oxalic dihydrazide with 2-hydroxynaphthalene-1-carbaldehyde and 2-methoxybenzaldehyde. From the data obtained from the spectral (mass, IR, 1 H-NMR, UV-Vis, ESR), magnetic and thermal measurements in addition to the elemental analyses (CHNM), the structures of ligands and their complexes have been determined. The scanning electron microscope (SEM) was used to characterize the morphology of the complex surface. The ligands coordinated with the metal center in a bi-dentate way forming binuclear Mn–BHO and mononuclear Mn–BMO complexes. The manganese complexes are proposed to have octahedral stereochemistry. The ligands and manganese( ii ) complexes have been assessed for their antibacterial and antileukemia activities. The proliferation hindrance for the free ligands was enhanced upon coordination with the manganese( ii ) ions.

The objective of the study was to determine the content of cadmium (Cd), lead (Pb), arsenic (As), aluminium (Al), thallium (Tl), antimony (Sb) and uranium (U) in the apple and orange juices and black currant nectar in relation to the kind of packaging. Also, probabilistic risk assessment (non-carcinogenic) was estimated by models including target hazard quotient (THQ and THQ*). Aluminium (Al) was present at the highest concentration in the analysed juices and nectars, with average concentration ranging from 1.34 mg/kg in orange juices (glass) to 4.26 mg/kg in black currant nectar (glass). Fruit juices and nectars kept in tetra pack packaging were characterised by elevated concentrations of Al and Sb, while the products in glass packaging contained significantly higher concentrations of As compared with the products in tetra pack packaging. Although the average concentrations of trace elements were lower than the standard limit, exposure to non-carcinogenic factors was demonstrated.

Ammonium benzyldithiocarbamate, represented as NH 4 L, was prepared and used in the complexation reaction involving three organotin( iv ) salts, represented as R 2 SnCl 2 (R = CH 3 , C 4 H 9 , and C 6 H 5 ). The structures of the synthesized complexes [(CH 3 ) 2 SnL 2 ] ( 1 ), [(C 4 H 9 ) 2 SnL 2 ] ( 2 ), and [(C 6 H 5 ) 2 SnL 2 ] ( 3 ) were established using various spectroscopic techniques (Fourier transform infrared spectroscopy, 1 H NMR, 13 C NMR, and 119 Sn NMR) and elemental analysis. Thermal decomposition of the complexes using thermogravimetric analysis under nitrogen showed no definite pathway in the pattern of the complexes even though they are structurally related. X-ray diffraction studies of the final residue showed a common diffraction pattern for the complexes and confirmed SnS as the product of the thermal treatment. Cytotoxicity studies of these complexes against the human tumor cell lines (HeLa and MCF-7) compared favorably with the used standard 5-fluorouracil drug, with complexes 2 and 3 showing very good activity toward the used cell lines.

Prurigo nodularis (PN) is a highly pruritic chronic inflammatory dermatosis with unknown pathogenesis. It is characterized by the existence of many hyperkeratotic, erosive papules and nodules, and the development of lesions may be associated with hyperproliferation and aberrant differentiation of keratinocytes. Keratin 17 (K17) is overexpressed selectively in human proliferative skin diseases, promoting keratinocyte proliferation not found in normal epidermis. In this study, we investigated the mRNA levels and protein levels of K17 in lesional and perilesional skin using quantitative real-time polymerase chain reaction and western blot. We demonstrate that K17 is induced in lesional and perilesional skin in PN. The mRNA expression level of K17 was upregulated in PN lesions ( P < 0.01), with multifold changes in the PN lesion (normalized to glyceraldehyde-3-phosphate dehydrogenase as the housekeeping gene) showing a median positive correlation with PRUNOSI ( P < 0.05). The protein level of K17 was also markedly increased in PN lesions ( P < 0.01). In conclusion, K17 is highly induced in PN lesions, which may contribute to the proliferation of keratinocytes and the pathogenesis of PN. Graphical Abstract

A popular polyherbal formulation prepared from five plants (PHF5) may have anticancer effects. However, there is a lack of adequate scientific evidence. We assessed the anticancer, antioxidant, and acute toxicity effects of PHF5. Cancer cells were treated with 0 to 300 μg/mL PHF5 extract. Established assays were used to assess cytotoxicity, apoptosis, and radical scavenging activities. In the acute toxicity study, mice were administered a single oral dose (2,000 mg/kg) of PHF5, and biochemical and histopathological parameters were assessed. The IC 50 values of PHF5 on LoVo, HepG2, MCF-7, and MDA-MB 231 cells were 71.8, 64.8, 45.3, and 47.3 μg/mL, respectively. Fluorescence staining demonstrated that PHF5 induced MCF-7 cell apoptosis. After 48 h, the percentage of late apoptotic cells increased significantly compared with the control cells (74.16 ± 0.64 vs 3.7 ± 2.05, P < 0.05). No mortality or behavioral alterations were observed in mice treated with a single dose (2,000 mg/kg) of PHF5, indicating that the LD 50 value exceeded 2,000 mg/kg. However, histopathological changes were observed in the liver tissues. PHF5 has potential as a therapeutic agent for the treatment of human carcinoma. Further safety data will be necessary before clinical use.

LaCoO 3 samples were obtained by the hydrothermal and citrate methods. The dynamics of the phase transformations of the initial hydroxo compounds into the oxide state and the subsequent reduction in a hydrogen-containing mixture were studied by the differential thermal analysis and X-ray diffraction methods. The results of the catalytic tests in the syngas conversion showed that the path of conversion depends on the phase composition of the catalyst in the oxide state. In contrast to the standard CoAl sample, alcohols prevail in the liquid products formed on LaCoO 3 catalysts.

In this study, two ethanolic extracts, from Stokesia aster (Slae26) and Geranium pratense (Gpre36) respectively, were evaluated in order to assess the cytotoxic activity and potential antiproliferative activity upon the nontumorigenic human epithelial cell line derived from the mammary gland (MCF-12A) and the human breast tumor cell line (BT-20). The selection of the plant species was done on the basis of their chemical composition, specifically combinations of luteolin derivatives with caffeic and gallic acid derivatives. Therefore, the S. laevis ethanolic extract proved its capacity to inhibit the viability of both normal and tumor breast cell lines (i.e., up to 90% cell viability inhibition, IC 50 = 42 µg/mL). On the contrary, the G. pratense ethanolic extract proved weak stimulatory effects on the viability of the two human breast cell lines studied. The obtained results were discussed in the contexts of computational studies and drug-likeness bioactivity of seven common luteolin derivatives: luteolin, luteolin-7- O -glucoside/cynaroside, luteolin-5- O -glucoside/galuteolin, luteolin-6- C -glucoside/isoorientin, luteolin-8- C -glucoside/orientin, luteolin-3′,4′-di- O -glucoside and luteolin-7,3′-di- O -glucoside. Computational studies have revealed that the hydrophilic behavior of luteolin derivatives (log  P values) does not follow other tested parameters (e.g., polar surface area values), possibly explaining different efficacy concerning the biological properties in vitro . These predictions could be a starting point for studies on the biochemical mechanism by which luteolin derivatives induce biological effects. Graphical Abstract The localization of frontier molecular orbitals (FMOs) for LUTEOLIN: HOMO (the highest occupied molecular orbital) and LUMO (the lowest unoccupied molecular orbital).

The fragmentation pattern of certain isatin-based compounds was carried out using collision-induced dissociation inside the triple quadrupole mass analyzer. These data were used as a clue for the identification of metabolites of the recently reported isatin-based antiproliferative agent, namely, N ′-[5-bromo-1-methyl-2-oxo-1,2-dihydro-3 H -indol-3-ylidene]-5-methoxy-1 H -indole-2-carbohydrazide ( 1 ) in rat liver microsomes (RLMs) using liquid chromatography-tandem mass spectrometry (LC-MS/MS). Prediction of the vulnerable sites for metabolic pathways in compound 1 was performed by WhichP450 module of StarDrop software. In vitro metabolites for compound 1 were identified with the aid of rat liver microsomes. The in silico data were utilized as a guide for the practical work. Compound 1 was metabolized into three (hydroxylated, reduced and O -demethylated) metabolites in RLMs in the presence of NADPH. The chemical structures of those metabolites were elucidated, and the metabolic pathways were proposed by comparing the fragmentation pattern of the isatin–indole conjugates 1–7 . The data presented in this paper provided useful information on the effect of different substituents on the ionization/fragmentation processes and can be used in the characterization of isatin derivatives. In silico toxicity assessments for the title compounds 1–7 and for the metabolites of compound 1 were conducted utilizing the deductive estimation of risk from existing knowledge (DEREK) module of StarDrop software.

Liver plays vital role in detoxification of exogenous and endogenous chemicals. These chemicals as well as oxidative stress may cause liver disorders. This study was aimed to evaluate the hepatoprotective effects of various fractions of Aconogonon alpinum methanolic extract against carbon tetrachloride (CCl 4 )-induced liver toxicity in mice. First, hepatoprotective potential of various fractions of A. alpinum was assessed and then antioxidant activity and profiling of polyphenolic compounds were assessed. A total of 78 male albino mice (BALB/c) were randomly divided into 13 groups ( n = 6); Group I (normal control), Group II (CCl 4 only), Group III (CCl 4 + silymarin 100 mg/kg) and Groups IV–XIII (CCl 4 + various fractions [200 and 400 mg/kg]). Hepatic biochemistry and liver injury were assessed by analysis of serum levels of hepatic enzymes and histopathological analysis, respectively. Results showed that polar fractions (ethyl acetate, n -butanol and aqueous fractions) exhibited highly significant ( P < 0.01) reduction in increased level of liver biochemical parameters in a dose-dependent manner with consistent histopathological findings. Likewise, these fractions revealed strong antioxidant potential and polyphenolic compound contents. In conclusion, the present work has revealed promising antioxidant activity, polyphenolic profiling and potential hepatoprotective efficacy. Thus, the significant results unveil the study as a step forward towards evidence-based phytomedicine.

Amyloid cascade, one of pathogenic pathways of Alzheimer’s disease (AD), was focused as one of drug discovery targets. In this study, β-secretase (BACE1) inhibitors were designed aiming at the development of multifunctional compounds targeting amyloid pathogenic cascade. Tryptophan was used as a core structure due to its properties of the central nervous system (CNS) penetration and BACE1 inhibition activity. Three amino acid residues and guanidine were selected as linkers to connect the tryptophan core structure and the extended aromatic moieties. The distance between the aromatic systems of the core structure and the extended moieties was kept at the optimal length for amyloid-β (Aβ) peptide binding to inhibit its fibrillation and aggregation. Sixteen designed compounds were evaluated in silico . Eight hit compounds of TSR and TGN series containing serine and guanidine linkers, respectively, were identified and synthesized based on docking results. TSR2 and TGN2 were found to exert strong actions as BACE1 (IC 50 24.18 µM and 22.35 µM) and amyloid aggregation inhibitors (IC 50 37.06 µM and 36.12 µM). Only TGN2 demonstrated a neuroprotective effect in SH-SY5Y cells by significantly reducing Aβ-induced cell death at a concentration of 2.62 µM. These results support the validity of multifunctional approaches to inhibition of the β-amyloid cascade.

Barbary fig called prickly pear is a plant belonging to family Cactaceae growing under hard climate conditions. A spiny variety of prickly pear named “Drbana” ( Opuntia megacantha ) and two non-spiny varieties named “Akria” and “Mlez” ( Opuntia ficus - indica ) growing in the Rhamna region (Morocco) were studied in terms of physicochemical characteristics. The physicochemical characterization (humidity, water activity, pH, total titratable acidity, Brix, and ash content) and the biochemical characterization (total carotenoid content, betalain content, total polyphenolic content, and ascorbic acid content) of the fruit pulp of prickly pear were performed according to the previously reported methods. The finding of physicochemical characterization of all studied varieties showed that the fruit pulp also contained an interesting bioactive compound classes in humidity, water activity, pH, total titratable acidity, Brix, and ash content. Regarding the biochemical characterization, the obtained finding showed the fruit pulp also contained an interesting bioactive compound classes particularly the total betalains, polyphenols, carotenoids, and ascorbic acids. Based on the obtained results in the current research work, we can affirm that the fruits of all studied varieties meet the requirement for being exploited in food, cosmetic, and pharmaceutical industries.

Electronic structural properties of the three different imidazolium-based ionic liquids, namely, 1-butyl-3-methyl imidazolium bromide (C 4 mimBr), 1-(4-hydroxybutyl)-3-methylimidazolium bromide (C 4 OHmimBr), and 1-(4-aminobutyl)-3-methylimidazolium bromide (C 4 NH 2 mimBr), were investigated with density functional theory at the B3LYP/6-311++G(d,p) level. The conformations of the mentioned cations were fully studied first using CONFLEX 8.A program. The quantum theory of atoms in molecules was used to investigate the nature of intramolecular interactions. The counterpoise-corrected ion pairs binding energies were obtained at the same level of theory. Natural bond orbital analyses show that the largest intra-molecular interaction comes from the orbital overlap between n(N1) and π* (N4–C5) in the mentioned compounds. The energy levels of frontier molecular orbitals (FMOs) are displayed. The global quantum chemical descriptors are also calculated based on the energy values of FMOs.

The purpose of this work was to prepare Schiff base ligands containing quinoline moiety and using them for preparing Cu( ii ) and Zn( ii ) complexes. Four bidentate Schiff base ligands (SL 1 –SL 4 ) with quinoline hydrazine scaffold and a series of mononuclear Cu( ii ) and Zn( ii ) complexes were successfully prepared and characterized. The in vitro antibacterial and antifungal potential experimentation revealed that the ligands exhibited moderate antibacterial activity against the Gram-positive bacterial types and were inactive against the Gram-negative bacteria and the fungus strains. The metal complexes showed some enhancement in the activity against the Gram-positive bacterial strains and were inactive against the Gram-negative bacteria and the fungus strains similar to the parent ligands. The complex [Cu(SL 1 ) 2 ] was the most toxic compound against both Gram-positive S. aureus and E. faecalis bacteria. The in silico physicochemical investigation revealed that the ligand SL 4 showed highest in silico absorption (82.61%) and the two complexes [Cu(SL 4 ) 2 ] and [Zn(SL 4 ) 2 ] showed highest in silico absorption with 56.23% for both compounds. The in silico pharmacokinetics predictions showed that the ligands have high gastrointestinal (GI) absorption and the complexes showed low GI absorption. The ligands showed a good bioavailability score of 0.55 where the complexes showed moderate to poor bioavailability.

Nonviral targeting technology has become promising as a form of gene therapy for diseases and injuries, such as Achilles tendon injuries. In this study, we used avidin–biotin bridge and positive–negative charge attractions to load the intercellular adhesion molecule-1 (ICAM-1) antibody and the basic fibroblast growth factor (bFGF) plasmid onto the surface of the microbubbles. The saturated loading capacity for 1.1 × 10 8 microbubble was 6.55 ± 0.53 µg. We established the ICAM-1 antigen microenvironment using tumor necrosis factor-alpha-stimulated human umbilical vein endothelial cells and found the targeting ability of the prepared microbubbles in vitro . In vivo , we also found that the injected targeted bFGF gene microbubbles expressed the bFGF gene better when compared with that of the control group. Furthermore, we evaluated adhesions after Achilles tendon injuries in rabbits using hematoxylin and eosin and immunohistochemical (IHC) staining methods. The collagen fibers were properly arranged in the tendon, and there was greater cellularity inside the tendon sheath and a clearer boundary between the internal and external tendon sheath than that of the control group. IHC staining showed greater ICAM-1 expression inside the tendon sheath when compared with outside the tendon sheath. In conclusion, targeted microbubbles can be a useful carrier of genes to provide gene therapy for the prevention of adhesions after tendon injury.

Orotic acid, a natural product, is involved in many biological processes. Human mesenchymal stem cells (hMSCs) have the potential of self-renewable and proliferation. They are commonly isolated from the bone marrow aspirates of large bones. The osteogenic potential of these stem cells has been extensively exploited by scientists in the past to evaluate the performance of synthetic scaffolds developed for tissue engineering. In this study, N -arylhydrazone derivatives of orotic acid have been synthesized, and their potential as stimulators of human mesenchymal stem cells has been evaluated. Some of the analogs exhibit well to moderate effect on the proliferation rate. Graphical abstract Orotic acid esters and several N -arylhydrazones derivatives were synthesized and evaluated for their stem cell proliferation potential with human stromal stem cells (hMSCs) which was never studied before. Some of the derivatives exhibit convincing upregulation of proliferation which is believed to be due to substitution on the aromatic ring.

β 2 -Agonists (β 2 -adrenergic agonists, bronchodilatants, and sympathomimetic drugs) are a group of drugs that are mainly used in asthma and obstructive pulmonary diseases. In practice, the substances used to contain one or more stereogenic centers in their structure and their enantiomers exhibit different pharmacological properties. In terms of bronchodilatory activity, ( R )-enantiomers showed higher activity. The investigation of stereoselectivity in action and disposition of chiral drugs together with the preparation of pure enantiomer drugs calls for efficient stereoselective analytical methods. The overview focuses on the stereoselectivity in pharmacodynamics and pharmacokinetics of β 2 -agonists and summarizes the stereoselective analytical methods for the enantioseparation of racemic beta-agonists (HPLC, LC-MS, GC, TLC, CE). Some methods of the stereoselective synthesis for β 2 -agonists preparation are also presented.

In this study, Fe 3 O 4 @urea/HITh-SO 3 H MNPs as a new, efficient, and recyclable solid acid magnetic nanocatalyst was synthesized and characterized using various methods including Fourier transform infrared spectroscopy, thermogravimetric analysis, scanning electron microscopy, transmission electron microscopy, vibrating sample magnetometry, energy-dispersive X-ray spectroscopy, and X-ray powder diffraction. After the characterization of this new magnetic nanocatalyst, it was efficiently utilized for the promotion of the one-pot synthesis of 7-aryl-8 H -benzo[ h ]indeno[1,2- b ]quinoline-8-one and indeno[2′,1′:5,6]pyrido[2,3- d ]pyrimidine derivatives via three-component reaction of the 1,3-indanedione, aldehyde, and 1-naphthylamine/1,3-dimethyl-6-aminouracil under solvent-free conditions at 80°C. The procedure gave the desired heterocyclic structures in high-to-excellent yields and short reaction times. Also because of the magnetic nature of the nanocatalyst, it can be separated with an external magnetic field and reused at least six runs without any considerable decrease in the catalytic behavior.

Molybdenum (Mo) adsorption by acidic yellow-brown soil was investigated as a function of a pH (1–13) and the equilibrium of P solution (0, 3.1, and 31 mg L −1 ) concentration. Mo adsorption by acidic yellow-brown soil increased within the pH range from 1 to 4. Above pH 4, Mo adsorption decreases with an increase in pH. The maximum adsorption was found between pH 2 and 4. Competitive adsorption experiments showed that the equilibrium sorption data fitted into Langmuir and Freundlich isotherms. The sorption data of Mo on the acidic yellow-brown soil fitted well with the Langmuir isotherm model due to the higher R 2 value. A reduction in Mo adsorption by the acidic yellow-brown soil was noticed at higher addition levels of P (3.1 and 31 mg L −1 ). Therefore, P increasing the bioavailability of Mo and enhancing Mo uptake by plants might be related to the inhibition of Mo absorption by the acidic yellow-brown soil.

The thermal properties of bio-based phase change material (PCM) microcapsules and their separate components, core and shell, were investigated considering the influence of used thermal enhancer. As a core, bio-based PCM, capric acid (CA), was used. Biodegradable material, such as polylactic acid (PLA), was used as a shell. To improve the thermal conductivity of PLA/CA microcapsules, the multiwall carbon nanotubes (MWCNTs) were used as a thermal enhancer. Composites of PCM with different concentrations of MWCNT as well as composites of PLA with these carbon compounds were prepared and investigated to assess how MWCNT influences the thermal conductivity of the core and the shell. The heat storage and release capacity, as well as the phase change temperatures of CA/MWCNT composites and manufactured PCM microcapsules, were determined using differential scanning calorimetry. To evaluate the thermal conductivity of prepared composites and to compare it with the conductivity of pure materials (without MWCNT), their thermal resistance was measured using the guarded-hotplate test method. To obtain the supplementary information and to assess the dynamic behavior of used PCM during the temperature changes, another technique, such as monitoring of a cold/hot plate with an IR camera, was used. The results of these measurements showed that introduced MWCNT increases the thermal conductivity of PCM used for the core and the conductivity of films prepared from PLA. Consequently, with reference to the results obtained, it could be stated that the introduction of MWCNT into PLA/CA microcapsules improved the thermal properties of these microcapsules. However, it was determined that too large concentration of MWCNT reduces an enthalpy of melting and crystallization of tested PCM and PCM microcapsules. Therefore, during the investigation, an optimal concentration of MWCNT additives has been determined.

Clopidogrel (CLOP) is widely used worldwide for cardiovascular complications. CLOP is highly metabolized in the liver to its active metabolite by cytochrome P450 enzymes. Studies have shown that khat, an addictive substance, is a powerful inhibitor of cytochrome P450 enzymes and can influence the metabolism of drugs that are concomitantly used. Therefore, this study was designed to evaluate the effects of khat on the pharmacokinetics of CLOP in rats. In this study, rats were administered either CLOP alone or CLOP combined with khat and their plasma were obtained at different time intervals and analyzed using the newly developed and validated liquid chromatography with tandem mass spectrometry (LC-MS/MS) method using foretinib (FTB) as the internal standard. The corresponding peak area of the analyte versus FTB was used for calculating the peak ratio. The validated LC-MS/MS method resulted in the separation of the well-defined quantifiable peaks of CLOP, FTB, and CLOP metabolite within 7 min. Results showed a significant influence of khat on the peak ratio of CLOP metabolite, which was found to be significantly decreased ( P < 0.05) in comparison to CLOP alone, suggesting significant decrease in the conversion of CLOP to its active metabolite due to the inhibition of CYP450 enzymes by khat. Therefore, there might be a need for dose adjustment for regular khat chewers using CLOP.

Rheum tanguticum is a traditional Chinese herbal medicine, which contains abundant anthraquinones. In this study, anthraquinones were efficiently extracted from Rheum tanguticum by subcritical water extraction (SWE). The parameters of extraction time (33–67 min), temperature (100–200°C), and SW flow rate (1.4–4.6 mL/min) were optimized so as to achieve a high yield of the target product. A high yield of the total anthraquinones was achieved under the optimized SWE conditions of extraction time 54 min, extraction temperature 170°C, and the flow rate 2.0 mL/min. The comparison between the SWE and traditional extraction techniques implied that the SWE is an efficient and green alternative method for the extraction of anthraquinones. Four anthraquinone glycosides were purified from the SWE extract by high-speed counter-current chromatography and identified as emodin-1-O-β-D-glucoside, physcion-8-O-β-D-glucopyranoside, chrysophanol-1-O-β-D-glucoside, and chrysophanol-8-O-β-D-glucoside.

This study investigated the effect of cadmium (Cd) chloride on the uptake of N, P, and K and evaluate the effect of Cd-resistant bacterium “N3” on reducing the adverse effect of Cd in grafted and nongrafted plants. The shoot and total dry weights of the nongrafted muskmelon plants decreased under 50 and 100 µM Cd treatments. The scion and shoot dry weights of the grafted plants increased significantly, whereas their root dry weight increased by nearly onefold compared with those of the CK-grafted plants regardless of Cd concentration. The N, P, and K contents in the nongrafted plants decreased under Cd treatments but increased under 50 µM Cd treatment when inoculated with “N3”. The N, P, and K contents in the grafted plants were lower than those treated with only Cd. The grafted and nongrafted plants exhibited low Cd accumulation in the scion or shoot part compared with the root tissues. “N3” inoculation reduced the Cd concentration in all tissues of the grafted and nongrafted plants. Our results demonstrated great variation in Cd accumulation in the grafted and nongrafted muskmelon plants, thereby promoting food safety under Cd contamination conditions.

The vermicompost collected from dewatered domestic sludge as packing material in biofilter was investigated for hydrogen sulfide (H 2 S) removal. No nutrients or microbial inoculation was added throughout the experiment. The corresponding bacterial community characteristics in the vermicompost biofilter of different spatial levels were evaluated by Miseq high-throughput sequencing technique. The results showed that the vermicompost biofilter performed well during operation. The H 2 S removal efficiency reached nearly 100% under condition of the inlet concentration <350 mg m −3 and 0.25−0.35 m 3 h −1 gas flow rate. The maximum elimination capacity of 20.2 g m −3 h −1 was observed at a flow rate of 0.35 m 3 h −1 . Furthermore, the amounts of biodegraded products and pH varied accordingly. In addition, the results from high-throughput sequencing revealed pronouncedly spatial variation of the vermicompost, and the Rhodanobacter, Halothiobacillus, Mizugakiibacter as well as Thiobacillus , which can play an important role in removing H 2 S, were predominant in the final vermicompost. These results imply that the vermicompost with diverse microbial communities has a good potential for eliminating H 2 S.

Previously, a series of pyridotriazolopyrimidines ( 1–6 ) were synthesized and fully described. The target compounds ( 1–6 ) were evaluated for their cytotoxicity against MCF-7, HepG2, WRL 68, and A549 (breast adenocarcinoma, hepatocellular carcinoma, embryonic liver, and pulmonary adenocarcinoma, respectively) cell lines using MTT assay. The tested compounds demonstrated cytotoxicity, but no significant activity. To elucidate the structure–cytotoxicity relation of the prepared pyridotriazolopyrimidines, several chemical descriptors were determined, including electronic, steric, and hydrophobic descriptors. These chemical descriptors were calculated in the polarizable continuum model (water as solvent) using density functional theory calculations at B3LYP/6-31+G(d,p). By employing simple linear regression (SLR) and multiple linear regression (MLR) analyses, the impact of the selected descriptors was assessed statistically. The obtained results clearly reveal that the cytotoxicity of pyridotriazolopyrimidines depends on their (i) basic skeleton and (ii) the type of the tested cell. Interestingly, SLR and MLR analyses show that the impact of the selected descriptors is strongly related to the tested cells and basic skeleton of the tested compounds. For instance, the cytotoxicity of subclasses 2a and 2c–2f against A459 shows strong correlation with ionization potential, hardness ( η ), and hydrophobicity (log  P ) with a correlation coefficient of 99.86% and a standard deviation of 0.53.

Lost circulation is a frequently encountered problem during workover operations of a low-pressure reservoir. Many lost circulation materials (LCM) have been used to solve the problem, but various disadvantages still exist, for example, oil-soluble materials are easy to get stuck in the pipe string as the temperature drops and gel time and gel strength of the cross-linking gel systems are difficult to control in the occasion of inadequate stirring. A self-breaking supramolecular plugging system used to control lost circulation of workover operations is developed, and it can encounter the aforementioned disadvantages of the traditional LCM. The system forms a space grid structure by non-covalent bonds between the molecules without adding a cross-linking agent. Sand beds plugged with the supramolecular plugging system had a pressure bearing capacity of 4.5 MPa. The self-breaking rate of the supramolecular system was 100% after 7 days at a temperature of 120°C. The core permeability recovery of the self-breaking liquid was 91.9%, indicated that the plugging system is compatible of the reservoir. The supramolecular plugging system has been used in four wells in the Jidong oilfield of East China. Field practice showed that the supramolecular LCM can effectively control lost circulation at different rates during workover operations. The increase in the daily fluid after operations indicated that the slurry has not damaged the reservoir.

Thioureas and their derivatives are organosulfur compounds having applications in numerous fields such as organic synthesis and pharmaceutical industries. Symmetric thiourea derivatives were synthesized by the reaction of various anilines with CS 2 . The synthesized compounds were characterized using the UV-visible and nuclear magnetic resonance (NMR) spectroscopic techniques. The compounds were screened for in vitro inhibition of α-amylase, α-glucosidase, acetylcholinesterase (AChE), and butyrylcholinesterase (BuChE) enzymes and for their antibacterial and antioxidant potentials. These compounds were fed to Swiss male albino mice to evaluate their toxicological effects and potential to inhibit glucose-6-phosphatase (G6Pase) inhibition. The antibacterial studies revealed that compound 4 was more active against the selected bacterial strains. Compound 1 was more active against 2,2-diphenyl-1-picrylhydrazyl and 2,2’-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) free radicals, AChE, BuChE, and α-glucosidase. Compound 2 was more potent against α-amylase and G6Pase. Toxicity studies showed that compound 4 is safe as it exerted no toxic effect on any of the hematological and biochemical parameters or on liver histology of the experimental animals at any studied dose rate. The synthesized compounds showed promising antibacterial and antioxidant potential and were very active (both in vitro and in vivo ) against G6Pase and moderately active against the other selected enzymes used in this study.

An analytical method for the quantification of anticancer agents such as imatinib, sorafenib, gefitinib and bosutinib using conductometry was developed. Each drug solution was mixed with measured concentration of metal ion (Cu 2+ ) solution resulting in drug–metal ion complexation in the titration cell. Conductance was progressively decreased on addition of the analyte solution up to a point of maximum reduction, that is, the end point. Corrected conductance values were calculated from the observed conductance and used to plot a graph against the volume of drug solution added. No interferences were observed from blank and placebo as they gave no clear inflection in the conductivity during titration. The precision and the accuracy of the developed method was established by the analysis of quality control samples; %RSD of corrected conductance values <2% and recovery results within 100 ± 2% were achieved. The calibration graphs obtained were linear over the concentrations 1.0–1.4 mM for all the drugs ( R 2 > 0.99). The drugs were successfully analyzed in their respective dosage forms prepared in-house. The method has offered easier, faster and cost-effective analysis of the selected drugs and can be used for routine determinations in the quality control laboratories. More importantly, it is an environmental friendly procedure, as no organic solvent was used throughout the analysis.

Chitosan was grafted with polyorthoethylaniline through oxidative polymerization using ammonium persulfate as oxidant, resulting in the formation of a biocomposite of chitosan-grafted-polyorthoethylaniline (CH- g -POEA). The synthesized biocomposite (CH- g -POEA) was characterized by FTIR, SEM, and TGA. Adsorption of methyl orange (MO) dye by CH- g -POEA was studied, wherein the Langmuir isotherm model with a R 2 of 0.9979 and adsorption capacity of 45.7 mg/g was evaluated. Graphical abstract

Urine reflects the renal function and urinary and kidney systems, but it may also reflect the presence of cancer in other parts of the body. Urine also has potential for providing prognostic information during therapeutic treatments thanks to non-invasive monitoring. A quick and reproducible protein purification procedure is essential to allow data comparison between proteomic studies in urine biomarker discovery. The article describes a simple, reproducible and cheap sample preparation procedure with a maximum protein yield (400 µg) obtained from only 10 mL of urine utilising cut-off filter desalting and digestion. The reported procedure removes yellowish background coloration residues and thus prevents the errors in spectrophotometric protein concentration determination. Different extraction solvents used in the presented procedure point to the possibility of partial elimination of abundant proteins (albumin and keratin family), as well as to the improvement of the sequence coverage of proteins identified, which helps to reveal changes in the urinary proteome. With this workflow, proteins can be easily obtained on standard laboratory equipment within 3 h. Data are available via ProteomeXchange with identifier PXD019738.

Using the density functional theory (DFT) formalism, we have investigated the properties of some arylsulphonyl indazole derivatives that we studied previously for their biological activity and susceptibility to interactions of azoles. This study includes the following physicochemical properties of these derivatives: electronegativity and polarisability (Mulliken charges, adjusted charge partitioning, and iterative-adjusted charge partitioning approaches); free energy of solvation (solvation model based on density model and M062X functional); highest occupied molecular orbital (HOMO)–lowest occupied molecular orbital (LUMO) gap together with the corresponding condensed Fukui functions, time-dependent DFT along with the UV spectra simulations using B3LYP, CAM-B3LYP, MPW1PW91, and WB97XD functionals, as well as linear response polarisable continuum model; and estimation of global chemical reactivity descriptors, particularly the chemical hardness factor. The charges on pyrrolic and pyridinic nitrogen (the latter one in the quinolone ring of compound 8 , as well as condensed Fukui functions) reveal a significant role of these atoms in potential interactions of azole ligand–protein binding pocket. The lowest negative value of free energy of solvation can be attributed to carbazole 6 , whereas pyrazole 7 has the least negative value of this energy. Moreover, the HOMO–LUMO gap and chemical hardness show that carbazole 6 and indole 5 exist as soft molecules, while fused pyrazole 7 has hard character.

This study aims to prepare ultrasound-targeted glial cell-derived neurotrophic factor (GDNF) retrovirus-loaded microbubbles (M pLXSN-GDNF) to verify the properties of the microbubbles and to study the therapeutic effect of the GDNF retrovirus-loaded microbubbles combined with ultrasound (U) to open the blood–brain barrier (BBB) in a Parkinson’s disease (PD) model in rats, allowing the retrovirus to pass through the BBB and transfect neurons in the substantia nigra of the midbrain, thereby increasing the expression of GDNF. The results of western blot analysis revealed significant differences between U + MpLXSN-EGFP, U + M + pLXSN-GDNF, and M pLXSN-GDNF ( P < 0.05) groups. After 8 weeks of treatment, the evaluation of the effect of increased GDNF expression on behavioral deficits in PD model rats was conducted. The rotation symptom was significantly improved in the U + MpLXSN-GDNF group, and the difference before and after treatment was significant ( P < 0.05). Also, the content of dopamine and the number of tyrosine hydroxylase-positive (dopaminergic) neurons were found to be higher in the brain of PD rats in the U + M pLXSN-GDNF group than in the control groups. Ultrasound combined with GDNF retrovirus-loaded microbubbles can enhance the transfection efficiency of neurons in vivo and highly express the exogenous GDNF gene to play a therapeutic role in PD model rats.

New derivatives were obtained from natural nordentatin ( 1 ) previously isolated from the methanol fraction of Clausena excavata by an acylation method. Herein, we report ten new pyranocoumarin derivatives 1a–1j . Their structures were elucidated based on UV-vis, FT-IR, NMR, and DART-MS data. The α-glucosidase inhibition and anticancer activities of nordentatin ( 1 ) and its derivatives were also evaluated. The α-glucosidase inhibition assay exhibited that the derivatives 1b , 1d , 1e , 1f , 1h , 1i , and 1j possess higher inhibitory activity for α-glucosidase with IC 50 values of 1.54, 9.05, 4.87, 20.25, 12.34, 5.67, and 2.43 mM, whereas acarbose was used as the positive control, IC 50 = 7.57 mM. All derivatives exhibited a weak cytotoxicity against a cervical cancer (HeLa) cell line with the IC 50 between 0.25 and 1.25 mM. They also showed moderate to low growth inhibition of a breast cancer (T47D) cell line with IC 50 values between 0.043 and 1.5 mM, but their activity was lower than that of the parent compound, nordentatin ( 1 ) (IC 50 = 0.041 mM).

Malignant melanoma (MM) is a cancerous transformation of melanocytes. It is a disease with the worst response to therapy and, compared to other malignancies, presents much earlier with metastases. MM still belongs to relatively late-detected malignant diseases. Even so, the MM mortality rate is up to 96% for a relatively small incidence (5%). The gold standard for MM diagnosis is a histopathological examination that requires invasive surgery. An invasive sampling method of a biological material can be a stressful factor for the patient, which is often the reason why patients do not seek medical assistance as soon as possible. Our goal was to find a link between metabolites in urine and the stage of MM. Two excitation peaks at 360–370 nm and 450 nm were characterised in spectra of urine samples. The emission spectra have shown one significant peak at 410–460 nm. After addition of glutathione reductase to the samples, fluorescence dropped down only in patient samples and hidden fluorophores appeared. Malignant diseases are associated with the presence of specific metabolites that can be detected fluorescently in biological material such as urine, which can be a suitable alternative for an early detection of cancer or for tracking changes during and after treatment.

The passivation effects of blast furnace slag, fly ash, corncob biochar, and phosphate fertilizer in Pb-contaminated soil was evaluated against the soil pH, available Pb content, Pb fractions, and bioactivity coefficient. Blast furnace slag and fly ash could increase soil pH, while corncob biochar and phosphate fertilizers lowered soil pH. The available Pb content in the blast furnace slag and phosphate fertilizer treatment groups was significantly lower than in other treatments. Also, blast furnace slag and phosphate fertilizer could significantly convert nonresidual Pb into residual Pb. Combined with the environmental impact after application and cost of the material, it is recommended that blast furnace slag can be used as a passivation agent for low-concentration Pb-contaminated soil.

Early diagnosis is a key to improve the prognosis of renal cell carcinoma (RCC); however, reliable RCC biomarkers are lacking in clinical practice. In this study, we used isobaric tags for relative and absolute quantification-based mass spectrometry to identify salivary proteins as biomarkers for the diagnosis of RCC. The objective of this study is to discover biomarkers from saliva by utilizing high-throughput quantitative proteomics approaches. Saliva proteins from 124 RCC patients and healthy individuals were identified and quantified. RCC putative biomarkers were verified by real-time polymerase chain reaction or enzyme-linked immunosorbent assay in a prevalidation sample set. Seventy-one differentially expressed salivary proteins were identified. Serotransferrin, haptoglobin, KRT9, and S100A9, which in previous studies were found to be most closely related to cancers, were selected as putative RCC biomarkers. Haptoglobin and S100A9 were significantly elevated in RCC compared with healthy control samples, although the expression of serotransferrin and KRT9 did not differ between the groups. Furthermore, receiver operating characteristic curves with a cut-off value of 75.49 ng/mL for S100A9 revealed a sensitivity of 87.10% and a specificity of 91.94% for discriminating RCC patients from healthy individuals. Salivary haptoglobin differentiated RCC patients from healthy controls with a sensitivity of 85.48% and specificity of 80.65% (cut-off value 43.02 µg/mL). These results provide experimental evidence to support S100A9 and haptoglobin as potential novel, noninvasive biomarkers for the diagnosis of RCC.

Withania frutescens ( W. frutescens ) is a medicinal plant that is largely used in the Morrocan pharmacopeia for disease treatment. This work was conducted to investigate the chemical characterization, analgesic, anti-inflammatory, and healing activities of W. frutescens . The chemical characterization of W. frutescens extract was done using HPLC; the anti-inflammatory test was performed with doses 300, 400 and 450 mg/kg, and the healing activity was assessed using two creams (extract 5% and extract 10%). Phytochemical analysis revealed the presence of phenolic compounds. The results of the anti-inflammatory test were more pronounced when compared with the reference drug with a maximum inhibition percentage of 82.20% ± 8.69 obtained at the dose of 450 mg/kg. Local application of 10% plant cream induced 80.17% ± 7.89 of inflammation inhibition when compared with the indomethacin drug 92.33% ± 11.27. The studied plant extract showed a promising healing activity with the following percentage: 99.03% ± 0.76 (extract 10%), 98.61% ± 1.91 (extract 5%), and 57.43% ± 2.97 (control); meanwhile, the value reached to 100% ± 0.02 for the drug that was used as a reference within the first 2 weeks. The plant studied in this work would be a promising source for conceptualizing effective drugs against inflammatory diseases.

A series of novel (−)-verbenone hydrazones was designed and synthesized via condensation of terpenoid with hydrazides derived from phenoxyacetic acid. The structure of target compounds was confirmed by 1 H-NMR and 13 C-NMR analysis, Raman and FT-IR spectroscopy, electrospray ionization method and fast atom bombardment (FAB) mass spectrometry. Thermal properties of (−)-verbenone hydrazones 3a – 3e were estimated by differential scanning calorimetry and their purity by HPLC coupled to mass spectrometry. Verbenone hydrazones were revealed to exist as Z / E geometrical isomers about C═N bond and cis / trans amide conformers. Verbenone derivatives were estimated as potential anticonvulsant agents after their oral administration against pentylenetetrazole and maximal electroshock-induced seizures in mice. Analgesic effect of hydrazones was studied by topical application on models of allyl isothiocyanate and capsaicin-induced pain. The present findings indicate that verbenone hydrazones contribute to seizure protection both at short (6 h) and long (24 h) time periods by blocking chemical- and electroshock-induced convulsions. Binding of compounds 3a – 3e to TRPA1/TRPV1 ion channels was suggested as a feasible mechanism explaining their significant analgesic activity.

Various morphologies of magnesium carbonate hydrate had been synthesized without using any organic additives by carefully adjusting the reaction temperature and time during the talc carbonation process. At lower temperatures, magnesium carbonate hydrate was prone to display needle-like morphology. With the further increase of the carbonation temperature, the sheet-like crystallites became the preferred morphology, and at higher aging temperatures, these crystallites tended to assemble into layer-like structures with diverse morphologies, such as rose-like particles and nest-like structure. The reaction time had no effect on the crystal morphology, but it affected the particle size and situation of the crystal growth. X-Ray diffraction results showed that these various morphologies were closely related to their crystal structure and compositions. The needle-like magnesium carbonate hydrate had a formula of MgCO 3 ·3H 2 O, whereas with the morphological transformation from needle-like to sheet-like, rose-like, and nest-like structure, their corresponding compositions also changed from MgCO 3 ·3H 2 O to 4MgCO 3 ·Mg(OH) 2 ·8H 2 O, 4MgCO 3 ·Mg(OH) 2 ·5H 2 O, and 4MgCO 3 ·Mg(OH) 2 ·4H 2 O.

A rapid and specific method was developed for simultaneous quantification of hydrocortisone 21 acetate (HCA), dexamethasone (DEX), and fluocinolone acetonide (FCA) in whitening cream formulations using reversed-phase high-performance liquid chromatography. The effect of the composition of the mobile phase, analysis temperature, and detection wavelength was investigated to optimize the separation of studied components. The analytes were finally well separated using ACE Excel 2, C18 AR column having 150 mm length, 3 mm internal diameter, and 2 µm particle size at 35°C using methanol with 1% formic acid and double-distilled deionized water in the ratio of 60:40 (v/v), respectively, as the mobile phase in isocratic mode. Ten microliters of sample were injected with a flow rate of 0.5 mL/min. The specificity, linearity, accuracy, precision, recovery, limit of detection (LOD), limit of quantification (LOQ), and robustness were determined to validate the method as per International Conference on Harmonization guidelines. All the analytes were simultaneously separated within 8 min, and observed retention times of HCA, DEX, and FCA were 4.5, 5.5, and 6.9 min, respectively. The proposed method showed good linearity with the correlation coefficient, R 2 = 0.999 over the range of 1–150 µg/mL for all standards. The linear regression equations were y = 12.7 x + 118.7 ( r = 0.999) for HCA, y = 12.9 x + 106.8 ( r = 0.999) for DEX, and y = 12.9 x + 96.8 ( r = 0.999) for FCA. The LOD was 0.25, 0.20, and 0.08 µg/mL for HCA, FCA, and DEX and LOQ was 2.06, 1.83, and 1.55 µg/mL for HCA, FCA, and DEX, respectively. The recovery values of HCA, DEX, and FCA ranged from 100.7–101.3, 102.0–102.6, and 100.2–102.0%, respectively, and the relative standard deviation for precision (intra- and interday) was less than 2, which indicated repeatability and reproducibility. The novelty of the method was described by forced degradation experimentation of all analytes in the combined form under acidic, basic, oxidative, and thermal stress. The proposed method was found to be simple, rapid, and reliable for the simultaneous determination of HCA, DEX, and FCA in cosmetics.

In this study, a new lactose biosensor has been developed in which the 3,4-ethylenedioxythiophene/thiophene (EDOT/Th) copolymer is used as a transducer. The EDOT/Th copolymer was deposited on the glassy carbon electrode to be used as the working electrode. In addition to the working electrode, the three-electrode system was used in both the electrochemical synthesis and in the biosensor measurements. Lactase (β-galactosidase) that catalyzes the breakdown of lactose into monosaccharides (glucose and galactose) and galactose oxidase that catalyzes the oxidation of the resulting galactose were attached to the copolymer by a cross-linker on the modified working electrode. The response of the enzyme electrode to lactose was determined by cyclic voltammetry (CV) at +0.12 V. Enzyme electrode optimization parameters (pH, temperature, enzyme concentration, etc.) were performed. Fourier transform infrared spectroscopy, scanning electron microscopy and CV methods were used to support copolymer formation. In addition, the characteristics of the enzyme electrode prepared in this study ( K m , 0.02 mM; activation energy E a , 38 kJ/mol; linear working range, up to 1.72 mM; limit of detection, 1.9 × 10 −5  M and effects of interferents [uric acid and ascorbic acid]) were determined.

Citrullus colocynthis (L.) Schrad ( C. colocynthis) called colocynth is a wild species that belongs to the family cucurbitaceae. The present research work aimed to study the phytochemical composition, cytotoxic and antioxidant activities of C. colocynthis seed extract. The chemical characterization of C. colocynthis seeds was effectuated using a gas chromatograph coupled to a mass spectrometer (GC-MS). The cytotoxic activity of C. colocynthis seed extract against breast cancer cell lines (MDA-MB-231) and colon cancer cell lines (HT-29) was assessed using the WST-1 bioassay. The antioxidant power was evaluated by the DPPH assay. The phytochemical characterization of C. colocynthis seed extract showed the richness of C. colocynthis seed extract in several families of bioactive compounds. Regarding the cytotoxic activity, the IC 50 (the half-maximal inhibitory concentration) of C. colocynthis seed extract in inhibiting MDA-MB-231 and HT-29 were 170.34 and 132.31 µg/mL, respectively. The cancerous cell lines MDA-MB-231 seem to be more sensitive to C. colocynthis seed extract than HT-29 cell lines. C. colocynthis seed extract exhibited a strong antioxidant power with an IC 50 value of 1.37 mg/mL. Insight into the results obtained, C. colocynthis seed extract may be used as a promising weapon to fight against cancer and free radicals’ damage.

In this work, an HPLC-DAD method was developed for the residual analysis of some estrogens such as estrone (E1), 17-β estradiol (E2), estriol (E3), natural estrogens, and 17-α ethinylestradiol (E4), an exoestrogen, in meat samples of different categories (chicken, n = 155, beef, n = 124, sheep, n = 122, and camels, n = 40), collected from the Saudi Market. Although banned, the use of E4 as a growth promoter in the black market is still encountered. Symmetry C18 column (3.5 µm, 4.6 mm × 150 mm) was used with a mobile phase consisting of 50% aqueous acetonitrile. Protein precipitation with acetonitrile was used for the sample preparation. The method was fully validated, as per the ICH guidelines, in the concentration ranges of 0.35–125 µg/g (E1, E2), 0.188–125 µg/g (E3), and 0.188–450 µg/g (E4). The method allowed the trace analysis of estrogens with LOD values of 0.094 (E3, E4) and 0.126 µg/g (E1, E2), and LOQ values of 0.188 (E3, E4) and 0.350 µg/g (E1, E2). The analyzed samples contained different levels of estrogens. Within the same category, processed products contained the highest levels of E4, while the internal organs contained the least estrogen content. Finally, the estimated daily intake, µg/kg bw/day, of estrogens through the consumption of meat-based food products was calculated.

The aim of this study was to detect the concentrations of PCSK9 in various subclinical stages of atherosclerosis and to highlight its relationship with inflammation. One hundred and fifty-nine healthy patients were divided into three groups, based on the extent of atherosclerotic changes in the carotid artery: a group without identifiable atherosclerosis, cIMT >75‰ and an asymptomatic plaque group. The PCSK9 was measured by ELISA and hsCRP by the immunoturbidimetric method. Vascular changes were identified by a carotid ultrasound. PCSK9 was elevated, when comparing the healthy group with the cIMT >75‰ group; however, no significant increase was detected between cIMT >75‰ and the asymptomatic plaque group. A positive linear correlation of the PCSK9 concentration and atherosclerotic changes was found; however, after the re-analysis in each group, this correlation persisted only in the group with still normal values. Additionally, a significant linear correlation was found between the PCSK9 concentrations and lipid parameters. However, no significant association was found with hsCRP. PCSK9 was found to be elevated only in cIMT >75‰ , but not in the later plaque stage. A linear correlation of PCSK9 values was detected only in the group with still reference values. Based on this fact, we assumed the direct linear role of PCSK9 in initiating atherosclerosis; however, in the later phases, the relationship, which highlights other risk factors such as inflammation, is not linear.

Alkyl methanesulfonates are genotoxic impurities that should be limited to an intake of not more than 1.5 µg/day, as regulated by the International Council for Harmonization guideline M7. We herein report a trace analysis of methyl methanesulfonate (MMS), ethyl methanesulfonate (EMS), and isopropyl methanesulfonate (IPMS) in the delgocitinib drug substance using liquid–liquid extraction, with an ionic liquid as the sample-solving medium, and direct injection gas chromatography detected with a flame-ionization detector. The proposed method takes advantage of the fine solubility of ionic liquids toward the drug substance, the good extraction efficiency of alkyl methanesulfonates in liquid–liquid extraction using the Chem Elut cartridge with low-polar organic solvents, and the ability of alkyl methanesulfonates to concentrate in minimum amounts of organic solvent, resulting in excellent sensitivity and selectivity. Specifically, for the preparation of the sample solution, a mixture of 1-butyl-3-methylimidazolium chloride, water, and acetonitrile was used as the sample-solving media, extracted with diethyl ether, and the eluent was concentrated to 1 mL. The method showed good linearity, accuracy, and precision from 1 to 5 ppm, and the limits of detection of MMS, EMS, and IPMS were 0.1, 0.05, and 0.05 ppm, respectively.

An electrochemical sensor based on guanine-, polythionine-, and nitrogen-doped graphene modified glassy carbon electrode (G/PTH/NG/GCE) was fabricated and applied for antioxidant capacity evaluation of natural compounds and complexes in electrochemical method since natural sources of active compounds exhibited various antioxidant activities. When the antioxidants existed in the system, the generated hydroxyl radicals were scavenged and the damage to guanine immobilized on the electrode was reduced less resulting in the oxidation peak current increased in square wave voltammetry. After the modifications of polythionine- and nitrogen-doped graphene, the oxidation peak current was improved. The effects of pH, incubation time, and concentrations of guanine and Fe 2+ ions on the performances of the electrode were investigated and optimized. The G/PTH/NG/GCE showed good linearity, reproducibility, and storage stability for antioxidant capacity evaluation of ascorbic acid at the optimum conditions. The antioxidant capacities of three flavonoids and three plant extracts were measured using the G/PTH/NG/GCE and DPPH methods. Myricetin showed the highest antioxidant capacity in both electrochemical and DPPH methods. The proposed G/PTH/NG/GCE exhibited easy fabrication procedure, rapid detection time, and low cost for the detection of antioxidant activity for various kinds of samples.

A dysprosium( iii ) organic framework, {[Dy(H 2 O)(BTCTB)]·2H 2 O} n ( 1 , H 3 BTCTB = 3,3′,3′′-[1,3,5-benzenetriyltris(carbonylimino)]tris-benzoic acid), was synthesized through the hydrothermal reaction of Dy(NO 3 ) 3 with the C 3 -symmetric organic ligand H 3 BTCTB at 160°C for 96 h. At the same time, the sensitivity of picric acid in water medium was tested with material 1 as the fluorescent sensor. The detection limit was 0.71 µM and K SV of this experiment was 8.55 × 10 4  M −1 , which might be attributed to the presence of abundant amide groups in the framework of 1 . In addition, the treatment effect of compound 1 against the NCI-H292 lung cancer cells was evaluated. The Cell Counting Kit-8 (CCK-8) method was conducted to measure the viability of cancer cell after treated through the compound 1 . The DCFH-DA was applied for the determination of ROS. The relative expression of the inflammatory genes was measured with RT-PCR. The western blotting was conducted to detect the effect of the compound against MDM-2 levels in NCI-H292 lung cancer cells. The possible binding interactions in terms of binding poses are probed by performing molecular docking simulations.

[Zn 6 (L) 4 (DMF) 2 (H 2 O) 4 ](1,4-Dioxane) 2 (DMF) 10 (H 2 O) 4 ( 1 , L  =  4,4′,4″-(benzene-1,3,5-triyltris(oxy))tribenzoate), the metal-organic cage, was produced via Zn(NO 3 ) 2 ·6H 2 O reacting with the H 3 L ligand in the mixed solvent of DMF and water. The heterogeneous catalytic activities of the complex 1 for the aldehydes cyanidation under the conditions of free solvent were studied, which indicates that the removal of coordination solvents could greatly improve the catalytic activities. Furthermore, the inhibitory effect of the compound against the ovarian cancer cells was assessed. The mi-RNA16 relative expression level was measured after exposure to the compound with real-time reverse transcription-polymerase chain reaction. The invasion and migration of cells after compound treatment were also detected by the transwell method.

The aim of the study was to compare the content of selected phytochemicals as well as the antioxidant and antimicrobial potential of the leaves of Prunus padus L. and Prunus serotina L., as there is very little research on this subject in the literature. Therefore, it is used to deepen knowledge on this subject. In addition, an electrochemical test was also carried out, which was not yet available for the above plants. Antibacterial studies have also been deepened to include the analysis of new strains of bacteria and fungi, which has not been studied earlier. The water extracts of P. padus using the utra-performance liquid chromatography (UPLC) system showed a higher content of both phenolic acids and flavonols (651.77 b ± 18.12 mg/100 g dw for acids and 3.85 b ± 0.08 mg/100 g dw for flavonols, respectively). Ferulic and p -coumaric acids were the dominant polyphenols in leaves. Extracts from P. padus showed higher activity against DPPH radical, which was 6.62 b ± 0.06 mg TE/1 g dw, as well as higher antioxidant capacity, measured using 2,2′-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt (ABTS) cation radical (37.39 b ± 3.81 mg TE/g dw). The higher antioxidant potential of P. padus was confirmed based on the oxidizing potentials of electroactive compounds present in them. Stronger inhibition against Enterococcus faecium and Klebsiella pneumoniae was found for P. padus , whereas P. serotina extract was more potent against Enterococcus faecium bacterium. It has been shown that P. padus can be an attractive raw material with antioxidant and antimicrobial properties that can be used on a much wider scale in food technology than its current application.

This study aims to compare the quality of fat extracted from different priced dry pet food for adult cats through classical and instrumental methods: pressure differential scanning calorimetry (PDSC), Fourier transform infrared spectroscopy (FT-IR) or gas chromatography (GC). Fat extracted from pet food was examined for induction time (IT), fatty acid composition, free fatty acid (FFA) content and peroxide value with the use of PDSC, GC, acid–base and iodometric titration, respectively. FT-IR data from the selected spectral regions correlate with the value of oxidation IT or the content of FFA. This resulted in construction of a reference model for IT with the following statistical features: R calibration = 0.917 (RMSEC = 28.0) and R validation = 0.841 (RMSEP = 34.6). For fatty acid content, model statistics were as follows: R calibration = 0.912 (RMSEC = 0.61) and R validation = 0.856 (RMSEP = 0.75). Discriminant model that uses spectral data alone, calculated with performance index 83.7 allowed distinguishing the studied pet food samples due to the price. Studies conducted proved PDSC and IR as reliable analytical techniques to control and monitor the quality of dry pet food for cats. Considering quality of the studied samples, it was proved that low-priced pet foods can be stored longer than premium-priced ones, while former is nutritionally more beneficial for adult cats.

This research aimed to identify differences in polypeptide/protein profiles of the unstimulated whole saliva between patients with temporomandibular joint disorders (TMDs) and healthy individuals. A fraction of the polypeptides/proteins (<30 kDa) was analyzed by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry. The spectra were recovered from methanoic acid/acetonitrile salivary samples overlaid with an α-cyano-4-hydroxy-cinnamic acid matrix in positive linear mode at an interval of 1,500–20,000  m / z mass acquisition range. The data were analyzed for the selection of characteristic peaks by using the ClinProTools 3.0 software. Discriminative classification models were generated by using a quick classifier, supervised neural network, and genetic algorithms. From the 23 peaks exhibiting the highest discriminatory power, the ten top-scored peaks with the area under the receiver operating characteristic >0.8 were selected. A panel of salivary markers that predicted the patients with TMDs was selected (2728.0, 4530.2, 5174.2, 5193.3, 6303.4, 6886.7, 8141.7, 8948.7, 10663.2, 10823.7 and 11009.0  m / z ). Although carried out on relatively small datasets, the classification algorithm used in this study allows the differentiation between salivary samples from subjects with TMDs and healthy individuals and confirms the usefulness of a proteomic profiling approach in the monitoring of the disease.

The study aimed to assess the concentration of dioxins, furans, and dioxin-like polychlorinated biphenyls (PCBs) in natural feed additives used in animal nutrition. The research material consisted of four natural sorbents used as feed additives registered in the EU. The samples were analysed for the content of six octachlorodibenzo- p -dioxins (OCDDs) congeners, nine octachlorodibenzofurans (OCDFs) and fourteen dL-PCBs, and seven PCB congeners. Detailed analysis was performed using gas chromatography with high-resolution mass spectrometry. Analysing the results of congeners of individual sorbents, it was found that they were below the limit of detection or quantification and can be used as feed additives.

Deionized, tap and two kinds of commercially available mineralized water, after supplementation with ammonia, were treated with low-pressure, low-temperature glow plasma (GP) of low frequency. Treating hard water with ammonia provided the removal of permanent and temporary water hardness already at room temperature. On such treatment, mineralized water supplemented with ammonia was partly demineralized. Precipitated rhombohedral deposit from hard water did not turn into scale even when maintained in suspension for 3 days at around 90°C. In such manner, the use of other chemicals for prevention from the scale formation and/or for the scale removal is entirely dispensable. The rate and yield of precipitation depended on the concentration of admixed ammonia and the GP treatment time. Ammonia served as a ligand of calcium, magnesium and ferric central atoms of corresponding salts constituting the hardness. Moreover, ammonia constituting the atmosphere of the treatment was arrested inside aqueous clathrates. So, stabilized ammonia solutions could potentially be utilized as an environmental-friendly nitrogen fertilizer. The precipitate could also be utilized for the same purpose.

The aim of this study is to explore the kidney-targeting capability of mesoscale nanoparticles (MNPs)-emodin (Em-MNPs) and its potential antifibrosis in the animal model. First, MNPs and Em-MNPs were synthesized via nanoprecipitation method, and their diameters were both ∼400 nm with the uniform size. The entrapment efficiency of MNPs was 45.1% when adding emodin at the concentration of 12 mg/mL. Moreover, cytotoxicity assay showed that Em-MNPs presented excellent biocompatibility in rat proximal tubular cells. Cellular uptake assay demonstrated that Em-MNPs had high-efficiency uptake, especially in the cytoplasm. Ex vivo organ fluorescence imaging revealed that Em-MNPs possessed specific kidney-targeting ability with relative long retention time in the kidney (∼24 h). In the renal unilateral ureteral obstruction model, Em-MNPs treatment could significantly alleviate kidney tubule injury and reduce extracellular matrix deposition compared with free MNPs. Herein, Em-MNPs with specific kidney-targeting and preferable antifibrosis effects in animal model may pave an avenue for treating renal diseases.

In the present study, a convenient and highly effective method was developed for the quantification of acidic drugs in wastewater and river water samples. Ultrasonic-assisted magnetic solid phase extraction employing magnetic waste tyre-based activated carbon nanocomposite functionalized with [3-(2-aminoethylamino)propyl]trimethoxysilane as a cost-effective and efficient adsorbent was used for the extraction and preconcentration of acidic drugs (naproxen [NAP], ketoprofen (KET) and diclofenac [DIC]). The quantification of target analytes was achieved by high‐performance liquid chromatography with diode array detector. Under optimum conditions, the detection limit, quantification limit and relative standard deviation obtained for the analytes of interest ranged from 0.38 to 0.76, 1.26 to 2.54 µg L −1 and 2.02 to 4.06%, respectively. The applicability of the developed method was assessed by the spike recovery tests and the relative recoveries proved that the method is reliable for the determination of acidic drugs in wastewater. Thereafter, the method was applied successfully for the determination of NAP, KET and DIC in river water, influent and effluent wastewater.

Durum wheat is commonly used in various food industry industries and cultivated worldwide. A serious problem with the species cultivation is its capability to accumulate cadmium (Cd) in the grains. The aim of this study is to investigate whether antioxidant activity may be used as a marker of Cd tolerance in durum wheat. The experiment involved three durum wheat genotypes/lines differing in salt tolerance. The plant response to Cd was appraised based on the activity of ascorbate–glutathione (AsA–GSH) cycle enzymes, ascorbate-to-dehydroascorbate ratio, reduced-to-oxidized glutathione ratio (GSH:GSSG), as well as Cd content in the seeds. The highest activity of dehydroascorbate reductase, monodehydroascorbate reductase, and glutathione reductase was noted in control plants of salt-sensitive cultivar “Tamaroi.” In the presence of Cd, activity of these enzymes was considerably reduced. “Tamaroi” plants demonstrated also the highest Cd content in the grain. In conclusion, we identified the cultivar “Tamaroi” as most susceptible to cadmium, and the level of durum wheat sensitivity to the element can be evaluated based on a significant decrease in the activity of AsA–GSH cycle enzymes and GSH:GSSG ratio.

Naphthoquinones are naturally occurring metabolites with recognized anti-cancer potential but limited clinical application. This study investigated the molecular mechanism of 8-hydroxy-2-(2-thenoyl)naphtho[2,3- b ]thiophene-4,9-dione ( 1 ), a new candidate for colorectal cancer (CRC) treatment, using different experimental settings: MTT, clonogenic, wound healing, and cell cycle assays; as well as RNA sequencing. Naphthoquinone 1 selectively reduced the viability and migration of HT-29 cells by G2/M arrest and changes in their transcriptome signature with significant effect on cellular survival, proliferation, angiogenesis, response to interferon, oxidative stress, and immune response. Impact analysis identified ferroptosis and MAPK pathways as significantly affected. In summary, our results suggest that 1 induces the selective death of CRC cells by inducing oxidative stress, ferroptosis, and MAPK inhibition. Graphical abstract

In the framework of this research, four new herbicidal ionic liquids (HILs) comprising chlorsulfuron as the anion were synthesized and characterized. The new salts with chlorsulfuron contained the following cations: tetramethylammonium, didecyldimethylammonium, benzyltrimethylammonium and cholinium. All products were obtained with high yields exceeding 90% via acid–base reaction or ion exchange reaction, by the use of environment-friendly solvents. The structures of all synthesized HILs were confirmed by FT-IR, 1 H NMR and 13 C NMR analyses. Their efficacy against weeds has been studied under field conditions in fiber flax. All HILs showed herbicidal activity but efficiency was highly dependent on the type of cation and weed species. There were no statistically significant differences in the effectiveness of HILs toward common lambsquarters compared to the reference herbicide, except for salt with cholinium cation that showed significantly lower efficiency. As regards barnyard grass control, all HILs exhibited significantly lower efficacy than that of the reference herbicide, except for didecyldimethylammonium salt that showed similar activity. The synthesized products did not cause damage to flax plants. The obtained results confirmed that the herbicidal effectiveness of the active ingredient (chlorsulfuron) in the form of an ionic liquid can be adjusted by the selection of an appropriate cation in the synthesis.

Exploring the effect of isomorphic substitution of atoms on crystal structure and features of oxide compounds is one of the main tasks of modern materials science. This paper deals with the La/Sm isovalent substitution in a two-slab perovskite-like BaLa 2 In 2 O 7 structure and its effect on the structural features and magnetic properties of BaLa 2− x Sm x In 2 O 7 indates synthesized. A complete characterization including data of scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), X-ray diffraction (XRD), structural calculations (Rietveld method), second optical harmonic generation of the laser radiation, calculations of valence bond sums (VBS), and magnetic susceptibility data of phases obtained is presented. The existence region of BaLa 2− x Sm x In 2 O 7 solid solutions with a two-slab perovskite-like structure (0 ≤ x ≤ 1.8) was established, and their coordinate parameters were refined. The character of barium and RE atoms distribution in BaLa 2− x Sm x In 2 O 7 structure has determined, and the correlation between substitution degree of lanthanum atoms and the length of Ln–O 2 interblock distance has revealed. The magnetic properties of BaLa 2− x Sm x In 2 O 7 were considered in terms of the crystal field effect.

Schiff-base ligand, 2,6-bis(benzimino)-4-phenyl-1,3,5-triazine (L), and its transition metal complexes of Co( ii ), Ni( ii ), and Cu( ii ) were synthesized by refluxing the reaction mixture and its analytical, spectral, and thermogravimetric characteristics were explored by various techniques: AAS, FT-IR, UV-vis, TG-DTG, CHNS/O, and VSM. It was observed that all the metal containing complexes are non-electrolytic, mononuclear, and paramagnetic in nature, confirmed by the molar conductance and magnetic susceptibility measurements. Optical spectral data were used to investigate the geometrical and spectral parameters of [Co(L)(ac) 2 ], [Ni(L)(ac) 2 ], [Cu(L)(ac) 2 ], [Cu(L)(acac) 2 ], and [Cu(L)(fmc) 2 ] complexes. Simultaneous thermal analyses (TG-DTG) in nitrogen atmosphere reveal that the ligand decomposes in one step, [Co(L)(ac) 2 ], [Ni(L)(ac) 2 ], and [Cu(L) (ac) 2 ] complexes are decomposed in three steps, whereas [Cu(L)(acac) 2 ] and [Cu(L) (fmc) 2 ] are decomposed in five and two steps, respectively. In addition, activation energy ( E a ) and pre-exponential factor (ln  A ) were evaluated by TG-DTG decomposition steps of compounds using the Coats–Redfern formula. Enthalpy (∆ H ), entropy (∆ S ), and Gibbs free energy (∆ G ) of the as-prepared metal complexes were also speculated by various thermodynamic equations.

A new reduction method for mixture phase stability testing is proposed, consisting in Newton iterations with a particular set of independent variables and residual functions. The dimension of the problem does not depend on the number of components but on the number of components with nonzero binary interaction parameters in the equation of state. Numerical experiments show an improved convergence behavior, mainly for the domain located outside the stability test limit locus in the pressure–temperature plane, recommending the proposed method for any applications in which the problematic domain is crossed a very large number of times during simulations.

This study compares the chemical composition of cockle ( Anadara granosa ) and some commercially important marine (Asian seabass Lates calcarifer , grouper Epinephelus bleekeri , hardtail scad Megalaspis cordyla , longtail tuna Thunnus tonggol and Indian mackerel Rastrelliger kanagurta ) and freshwater (sutchi catfish Pangasius hypophthalmus , Nile tilapia Oreochromis niloticus and eel Monopterus albus ) fishes in Peninsular Malaysia. The results show that the proximate composition and trace metal content were significantly different ( P < 0.05) among species investigated. The mean protein content was the highest in eel (19.1%) and the lowest in sutchi catfish (13.0%) and cockle (13.0%). The mean lipid content of Indian mackerel (3.9%) was higher than cockle (2.0%), followed by eel (1.3%) and longtail tuna (0.8%). The mean ash content was the highest in Indian mackerel (1.4%) and the lowest in cockle (0.9%). Zinc and manganese contents in cockle (Zn: 61.2 mg kg −1 , Mn: 22.7 mg kg −1 ) were very high compared to other species investigated. The copper content was minimum in sutchi catfish (1.0 mg kg −1 ) and a maximum in the hardtail scad (11.7 mg kg −1 ). Trace metal content in sutchi catfish, Nile tilapia, grouper, longtail tuna, eel and cockle followed an order Zn > Mn > Cu, whereas Asian seabass, hardtail scad and Indian mackerel followed a different order Zn > Cu > Mn. Trace metal content in the tissue of the fishes examined was within safe limits for human consumption except Mn content in the cockle and Cu content in the hardtail scad, which is a matter of concern. When considering the daily fish fat, mineral and trace metal intake, marine fishes and shellfish are better than freshwater fishes.

Stir bar sorptive extraction (SBSE) has been developed in 1999 to efficiently extract and preconcentrate volatile compounds, and many applications have been found after that. This technique conforms to the principles of green chemistry. Here, we used an autosampler with an online thermal desorption unit connected to CGC-MS to analyze pesticides. This study describes the development of a highly sensitive extraction method based on SBSE for simultaneous determination of ultra-trace amounts of four pesticides λ-cyhalothrin, α-cypermethrin, tefluthrin, and dimefluthrin in environmental water samples. This method was compared to the standard liquid–liquid extraction. In this study, a totally solventless SBSE was applied to river and tap water samples for the extraction and preconcentration of four pesticides. PDMS-coated SBSEs of 10 mm × 1 mm thickness were used for this purpose, and SBSEs were directly placed into a large-volume injector of a CGC-MS for thermal desorption of the analytes. In all extractions, deltamethrin was used as an internal standard. This method showed linearity in the range of 1.0–200.0 ng L −1 for cyhalothrin, tefluthrin, and dimefluthrin and 10.0–800 ng L −1 for cypermethrin. Preconcentration factors of 179, 7, 162, and 166 were obtained with very low limits of detection of 0.32, 3.41, 0.36m and 0.69 ng L −1 for cyhalothrin, cypermethrin, tefluthrinm and dimefluthrin, respectively. These detection limits are thousands of times lower than that of the standard method of liquid–liquid extraction. Reproducibility of the method, based on the relative standard deviation, was better than 7.5% and recoveries for spiked tap and river water samples was within the range of 87.83–114.45%. The application of PDMS-coated SBSE coupled with CGC-MS equipped with a large volume injector thermal desorption unit can be used for ultra-trace analysis of environmental water samples. Solventless SBSE offers several advantages over conventional traditional liquid–liquid extraction such as being very fast and economical and provides better extraction without requiring any solvents; so it can be considered as a green method for the analysis of pesticides. Graphical abstract

This article addresses the problem of controlling the growth of microalgae originating in Mexican rivers, especially in the state of Sinaloa, Culiacan River. For this purpose, a robust, high-gain nonlinear observer is proposed to estimate the unknown disturbance in the cultivation of mixotrophic microalgae with the presence of organic nutrients. Once a perturbation function related to the change of ambient light is estimated, an output feedback control for the photobioreactor is proposed, in which through Lyapunov’s convergence functions, the final boundary stability conditions are obtained. Thus, a turbidity sensor was designed for Spirulina platensis , a native microalgae of Culiacan River, which is presented using the MATLAB-Arduino programming environment. This sensor is calibrated using biomass culture and is a low-cost device. Through the numerical study, the feasibility and performance of the control and the observer are evaluated. Finally, real-time experimental evaluations are made based on the literature, studying the use of robust controllers in a photobioreactor with a mixed culture, in the presence of environmental changes in lighting.

The deep desulfurization method of sintering flue gas based on the low-temperature oxidation method is studied. Based on the analysis of the main principle of deep desulfurization of sintering flue gas, a deep desulfurization system of sintering flue gas is constructed, which is composed of an absorption washing unit and a washing solution treatment unit. Sodium hydroxide solution is used as the desulfurizing absorbent to mix with the sintering flue gas entering the reaction tower. Sulfur dioxide in the sintering flue gas reacts with sodium hydroxide to generate sodium sulfite, and sodium sulfite is oxidized to produce sodium sulfate; ozone is produced by ozone generator, nitrogen oxide compounds are oxidized by ozone to generate oxyacid, which is easy to be removed by sodium hydroxide washing solution, and the detergent is the same as that used to remove sulfur dioxide and dust. The experimental results show that the highest desulfurization rate and denitrification rate of the proposed method are 90% and over 22%, and the reaction efficiency and economy are significantly better than that of the comparative method, which shows that the method is reasonable and effective.

Traditional Chinese Medicines (TCM) can be contaminated with heavy metals, and therefore, the aim of this study is to analyze the Fe, Mn, Zn, Cu, Cd, Pb, Cr, and phenolic compounds contents in TCM plants used against civilization diseases. Metals were determined by flame atomic absorption spectroscopy (FAAS) for Fe, Mn, Zn, and Cu and inductively coupled plasma-optical emission spectroscopy (ICP-OES) for Pb, Cd, and Cr. The total phenolic, flavonoid, and phenolic acid contents were determined by HPLC and UV/vis spectrometry. The contents of the studied elements were highest in Radix Rehmanniae , whereas lowest in Fructus Lycii and Fructus Crataegi. The studied metals were assayed in the decreasing order: Fe, Zn, Mn, Cu, Cr, Pb, and Cd. Radix Rehmanniae Glutinosae Preparata showed the lowest phenolic composition, while Fructus Lycii showed the richest content. Principal component analysis (PCA) revealed that the contents of ferulic acid, caffeic acid, rutin, and Cu, Cr, and Cd were among the most important factors responsible for the differentiation between the investigated medicinal plants. Cluster analysis (CA) showed that the TCM samples originating from the same botanical plant species were often found in the same cluster, which confirms the similar level of studied elements determined within the samples. Graphical abstract

This study of peri-urban minerogenic topsoil on glacigenic or post-glacial deposits shows the influence of the site-classification approach on the differentiated median background (DMB) values of major elements and the potentially harmful elements (PHEs) Ba, Cr, Cu, Mn, Ni, Pb and Zn. Composite samples from forests and meadows were taken in 25 sites, each of which had five sub-sites. A fraction of <2 mm was used to determine the organic matter by loss on ignition (LOI), grain size by laser diffraction and the elemental contents by X-ray fluorescence. The following five site-classification approaches are compared: geochemical (G), using relative median contents of Al, K, Ti; textural (T), according to mean percentages of clay-sized fraction (CLF) and silt fraction (SIF); lithological (L), based on soil parent material texture from the soil database; soil type (S), presented in the soil database; and parent material (P), generalising the underlying Quaternary deposits. Sites were classified into four level groups in which the DMB values were estimated after eliminating anomalies. The average ranks of three scores according to SIF, CLF, LOI, Al, K, Ti, Fe, Mg, Ca and S in the respective groups revealed the highest value for the G approach. It better eliminates the CLF and SIF influences on the median assessment indices of PHEs in sites.

The properties of rice husk biochar during the ageing process in soil and the resulting impacts on sorption capacity with respect to Cu( ii ) were assessed. Rice husk-derived biochar was placed in fabric bags and buried in a plastic incubator filled with soil for 0–240 d. The aged biochar was then characterised and its sorption capacity compared with control (unaged) biochar in batch sorption experiments. The structural composition and morphology of the biochar before and after ageing were analysed based on element composition, scanning electron microscopy (SEM) coupled with energy X-ray dispersive spectroscopy (EDS), diffuse reflectance infrared Fourier transform infrared spectroscopy (DRIFTS), and X-ray photoelectron spectroscopy (XPS). The concentration of O, atomic O/C ratios, and carboxyl and hydroxyl functional groups increased at the surface of the biochar during ageing, which together indicated oxidation. Within the biochar particles, O/C ratios progressively increased towards their outer surfaces. Furthermore, ageing for more than 120 d facilitated Cu( ii ) sorption as oxygen-containing groups were able to develop. The maximum adsorption capacity ( q m ) of biochar increased by 1.24 ∼ 1.32 times after ageing in the soil for 240 d. It is suggested that biochar surface properties were gradually altered during environmental exposure and the aged rice husk biochar showed increased performance in Cu( ii ) adsorption. However, the performance of aged biochar as a soil remediator or conditioner will be affected by the ageing process and interactions among different soil components. As such, further research is required to evaluate these complex effects.

Burgeoning pesticide usage in agriculture sector required to be evaluated by assessing the adsorption rate in soils. The herbicide triasulfuron was used in this research to analyze its sorption behavior in seven distinct soils using batch equilibrium methodology. The adsorption coefficient ( K d ) values ranged from the 3.32 to 29.7 µg/mL. Peshawar soil displayed the highest K d value because of the distinct physiochemical properties when compared with the other six samples. Gibbs free energy exhibited negative values displaying less contact between soil particles and pesticides, showing the exothermic nature of the phenomena. A negative association was observed between the pH of the soil samples and K d ( R 2 = −0.71) but a direct relation with the organic content ( R 2 = 0.74). Triasulfuron mitigation was performed by the economical remediation of soils using acid-activated charcoal prepped from Saccharum officinarum husk. Activated carbon derived from biomass displayed the great potential for triasulfuron removal from soils.

Cooper( ii ) complexes represent a promising group of compounds with antimicrobial and antifungal properties. In the present work, a series of Cu( ii ) complexes containing the non-steroidal anti-inflammatory drugs, tolfenamic acid, mefenamic acid and flufenamic acid as their redox-cycling functionalities, and 1,10-phenanthroline as an intercalating component, has been studied. The antibacterial activities of all three complexes, [Cu(tolf-O,O′) 2 (phen)] ( 1 ), [Cu(mef-O,O′) 2 (phen)] ( 2 ) and [Cu(fluf-O,O′) 2 (phen)] ( 3 ), were tested against the prokaryotic model organisms Escherichia coli ( E. coli ) and Staphylococcus aureus ( S. aureus ) and their antifungal activities were evaluated towards the yeast, Saccharomyces cerevisiae (S. cerevisiae) . The antibacterial activity of both strains has been compared with the antibiotic Neomycin. The calculated IC 50 values revealed slight differences in the antibacterial activities of the complexes in the order 1 ∼ 3 > 2 . The most profound growth inhibition of E. coli was observed, at its highest concentration, for the complex 1 , which contains chlorine atoms in the ligand environment. The trend obtained from IC 50 values is generally in agreement with the determined MIC values. Similarly, the complex 1 showed the greatest growth inhibition of the yeast S. cerevisiae and the overall antifungal activities of the Cu( ii ) complexes were found to follow the order 1 > 3 ≫ 2 . However, for complex 2 , even at the highest concentration tested (150 μM), a 50% decrease in yeast growth was not achieved. It appears that the most potent antimicrobial and antifungal Cu( ii ) complexes are those containing halogenated NSAIDs. The mechanisms by which Cu( ii ) complexes cause antibacterial and antifungal activities can be understood on the basis of redox-cycling reactions between cupric and cuprous species which lead to the formation of free radicals. The higher efficacy of the Cu( ii ) complexes against bacterial cells may be due to an absence of membrane-protected nuclear DNA, meaning that on entering a cell, they can interact directly with its DNA. Contrastingly, for the complexes to interact with the DNA in yeast cells, they must first penetrate through the nuclear membrane.

Selenium (Se) and silicon (Si) are the beneficial elements that may significantly modify plants’ tolerance to various types of biotic and abiotic stress. They may be particularly important due to the current climate changes. The aim of model experiments was to assess how selenium and silicon could alleviate short-term drought stress in French marigold ( Tagetes patula L. “Pascal”). Tagetes plant species are economically important annual plants and are also very popular decorative flowering species in city parks due to its beautiful colored flowers and resistance on drought stress. Silicon was applied in the form of silica sol and choline-stabilized orthosilicic acid (ch-OSA). Selenium was applied in the form of sodium selenate (Na 2 SeO 4 ). They were tested at the following concentrations (mg dm −3 of NS): silica sol – level I (23.25), level II (31.0); ch-OSA – level I (0.21), level II (0.63); and Se – level I (0.4), level II (0.8). The experiment showed that silicon had stimulating effect on the biometric parameters of control plants cultivated under an optimal water regime. When the plants treated with selenium were exposed to stress, the values of their biometric parameters were generally higher than in the plants treated with silicon. Both silicon and selenium significantly modified the gas exchange parameters. During the growing season, the net photosynthesis activity ( P N ), stomatal conductance ( g s ), and transpiration rate ( E ) tended to decrease, but they increased significantly when selenium and silicon were applied. In general, the factors significantly modified the plants’ content of macro- and micronutrients as well as the proportions between them. Both selenium and silicon alleviated the short-term drought stress in French marigolds as a model plant, but when silicon was applied, the positive effect was modified by the source and its concentration.

Jute ( Corchorus capsularis L.) is an annual herb of the bast fiber plant and has great potentials in food and medicinal usages because of its various bioactivities. In this study, ultrafiltration coupled with high-performance liquid chromatography-mass spectrometry was established for screening xanthine oxidase inhibitors from the jute leaves extract. Under the optimum screening conditions, three inhibitors were successfully screened and identified as chlorogenic acid, echinacoside, and isorhamnetin-rutinoside with UV and MS data. The fluorescent quenching analysis showed that three inhibitors quenched the fluorescence intensities of enzyme with different binding capacities. For further exploring the bioactivity of three inhibitors, the protective effects on hydrogen peroxide-induced oxidative stress was investigated using human normal liver cell (LO2), human gastric mucosal epithelial cell (GES-1), and human umbilical vein endothelial cell (HUVEC). As a result, they exhibited protective effects on three injured cells in dose-dependent manners without cytotoxicity. To evaluate the difference among different jute species obtained in our laboratories, the amounts of three compounds in ten samples were assessed and analyzed. The results showed that it could be divided into three groups. The jute leaves showed nutrient and medical potentials and deserved further research on pharmaceutical and biochemical utilization in future.

A novel series of mixed-ligand complexes of the type, [M(L 1 )(L 2 )Cl]·2H 2 O [L 1 = 2-(α-methyl salicylidene hydrazine) benzimidazole (primary ligand), L 2 = 2,2′-bipyridine (bipy; secondary ligand), M = Co( ii ), Ni( ii ), Cu( ii ) and Zn( ii )], were based on the physicoanalytical studies. The spectroscopic findings revealed tridentate nature of the Schiff base ligand (L 1 ) and its coordination to the metal ions via azomethine nitrogen, ring nitrogen and the deprotonated phenolic oxygen atoms. Furthermore, the synthesized compounds were evaluated for antimicrobial activity against Bacillus subtilis , Escherichia coli and Salmonella typhi microorganisms. In addition, molecular docking studies were carried out against Middle East respiratory syndrome coronavirus (PDB ID: 4ZS6) and severe acute respiratory syndrome coronavirus 2 main protease (PDB ID: 6W63). Graphical abstract

In the current study, the metabolism of two novel psychoactive substances (NPSs), mephedrone and methoxetamine (MXE), was studied in vitro in pig liver microsomes to determine potential metabolites by liquid chromatography-mass spectrometry (LC-MS). Later, in vitro studies were performed using HepaRG™ cells to determine the human metabolites of these drugs using gas chromatography-mass spectrometry (GC-MS). The aim of the study was to detect metabolites from the metabolic mixture in the human cell lines using GC-MS, since this is a more readily available technique within forensic laboratories. Microsomes were prepared through a conventional ultracentrifugation method and incubated under optimized conditions with the drugs for 3 h. Subsequently, the samples were investigated using LC-MS. A similar methodology was then applied in the HepaRG™ cells, and the GC-MS conditions were optimized using N , O- bis(trimethylsilyl)trifluoroacetamide as a derivatization agent. The analysis showed two molecules from a successful in vitro metabolism, namely, hydroxytoly-mephedrone and nor-dihydro mephedrone. For MXE, two metabolites are presented produced by the O -demethylation and reduction of the ketone moiety to the corresponding alcohol, respectively. Using the human HepaRG™ cells, only nor-dihydro mephedrone could be identified by GC-MS. Since hydroxytoly-mephedrone and the MXE metabolites are more polar, it is suggested that GC-MS even with derivatization may not be suitable. In addition, cytotoxicity was studied utilizing HepaRG™ cell lines. The drugs show cytotoxic effects causing in vitro cell death, within the specified range of EC 50 0.3211 mM (79 μg/mL) and 0.6297 mM (111 μg/mL) for mephedrone and MXE, respectively. These drugs were able to cause 73–84% cell death.

This work concerns the isolation and structure elucidation of compounds obtained from the extract of leaves and stem bark of Combretum fragrans F. Hoffm. Both extracts and some isolated compounds were tested for antiproliferative activity on glioblastoma (U87MG and C6 cells) and prostate (PC-3 cells) cancer cell lines using XTT (2,3-bis[2-methoxy-4-nitro-5-sulfophenyl]-2 H -tetrazolium-5-carboxyanilide inner salt) assay. The dichloromethane/methanol (1:1) extract of the leaves led to the isolation of two new compounds such as fragransinate ( 1 ) and combretin C ( 2 ), alongside five known compounds such as combretin A ( 3 ), belamcanidin ( 4 ), cirsilineol ( 5 ), velutin ( 6 ), and a mixture of β-sitosterol-3- O -β- d -glucopyranoside ( 10a ) and stigmasterol-3- O -β- d -glucopyranoside ( 10b ), whereas the methanol extract of the stem bark led to the isolation of three known compounds betulinic acid ( 7 ), bellericagenin B ( 8 ), and a mixture of β-sitosterol ( 9a ) and stigmasterol ( 9b ). The structure of compounds was elucidated by nuclear magnetic resonance and mass spectrometry data. The methanol extract of the stem bark showed a powerful antiproliferative activity on all tested cells, as well as the extract of leaves which also showed important cytotoxicity effect. Compound ( 3 ) showed good antiproliferative activity particularly on U87MG and PC-3 cells, whereas compound ( 5 ) exhibits moderated activity. Compounds ( 2 ) and ( 8 ) were not active on all tested cells.

Sinoporphyrin sodium (DVDMS) is a novel sensitizer discovered by Professor Fang Qi-Cheng and widely used in photodynamic (PDT) and sonodynamic therapy (SDT). We searched databases including PubMed, Web of Science, CNKI, etc. for system review of its progress. We found that, both DVDMS-PDT and -SDT had been proven effective for inhibiting tumor growth and mechanisms involved reactive oxygen species, autophagy, and mitochondrial apoptosis pathways. Material advances enhanced antitumor effects and expanded its application. The safety of DVDMS in animals was evaluated, and metabolic parameters were uncovered. Additionally, DVDMS-PDT also exhibited therapeutic effects on non-neoplastic diseases like psoriasis and bacterial infections. Two phase I clinical trials of DVDMS have been documented, but recruitments had still not been completed. In conclusion, DVDMS is a promising sensitizer for both PDT and SDT; however, there are some shortcomings in previous studies like inconsistent treatment parameters, which need systematic assessments in future. Moreover, more mechanisms such as the role of autophagy need to be discovered. Further evidence of the safety and effectiveness of new materials are needed, and the application in non-neoplastic diseases like actinic keratosis and fungal infection deserves further development. Above all, promoting its clinical applications is the most important goal. Graphical Abstract

About 140 genera and more than 1,600 species belong to the Rutaceae family. They grow in temperate and tropical zones on both hemispheres, as trees, shrubs, and herbs. Casimiroa is one of the genera constituting 13 species, most of which are found in tropical and subtropical regions. Many chemical constituents have been derived from this genus, including quinoline alkaloids, flavonoids, coumarins, and N -benzoyltyramide derivatives. This article reviews different studies carried out on aromatic compounds of genus Casimiroa ; their biological activities; the different skeletons of coumarins, alkaloids, flavonoids, and others; and their characteristic NMR spectral data.

This article attempts to report native growth, plant description, phytochemical constituents and bioactivities of Syzygium aqueum , S. aromaticum , S. cumini , S. guineense and S. samarangense . Those are the large public species in the Syzygium genus and some of them have been used as traditional medicines. Different parts (leaves, seeds, fruits, barks, stem barks and flower buds) of each species plant are rich in phytochemical constituents such as flavonoids, terpenoids, tannins, glycosides and phenolics. Antioxidant, antidiabetic, anticancer, toxicity, antimicrobial, anti-inflammatory and anthelmintic activities are reported in various extracts (methanol, ethanol and aqueous) from different parts of Syzygium sp. The bioactivities were studied by using 1,1-diphenyl-2-picrylhydrazyl and ferric reducing antioxidant power assays for antioxidant, 5-(3-carboxymethoxyphenyl)-2-(4,5-dimethyl-thiazoly)-3-(4-sulfophenyl) tetrazolium and 3-(4,5-dimethylthiazol-2-yl)-2-5-diphenyltetrazolium bromide assays for anticancer, α-glucosidase and α-amylase inhibition assays for antidiabetic, agar well diffusion method for antimicrobial and brine shrimp lethality assay for toxicity. Moreover, this review shows that phytochemical constituents of each species significantly presented various bioactivities. Therefore, this review suggests that there is great potential for obtaining the lead drug from these species.

This review addresses a comparison, based on the literature, among nitrile rubber (NBR), ethylene-propylene-diene-monomer rubber (EPDM), and polyurethane (PU) elastomeric heat shielding materials (EHSM). Currently, these are utilized for the insulation of rocket engines to prevent catastrophic breakdown if combustion gases from propellant reaches the motor case. The objective of this review is to evaluate the performance of PU–EHSM, NBR–EHSM, and EPDM–EHSM as insulators, the latter being the current state of the art in solid rocket motor (SRM) internal insulation. From our review, PU–EHSM emerged as an alternative to EPDM–EHSM because of their easier processability and compatibility with composite propellant. With the appropriate reinforcement and concentration in the rubber, they could replace EPDM in certain applications such as rocket motors filled with composite propellant. A critical assessment and future trends are included. Rubber composites novelties as EHSM employs specialty fillers, such as carbon nanotubes, graphene, polyhedral oligosilsesquioxane (POSS), nanofibers, nanoparticles, and high-performance engineering polymers such as polyetherimide and polyphosphazenes.

In Asia, Monascus has been used in food fermentation for nearly a thousand years. It has attracted increasing attention in recent years due to its ability to produce a variety of important active substances such as monacolin K (MK) and pigments. MK is an effective drug widely used for lowering human blood cholesterol that functions by inhibiting the rate-limiting enzyme in cholesterol biosynthesis. Monascus strains, fermentation methods and fermentation conditions have significant effects on MK yield, and much research has been undertaken to obtain higher MK yields. In this paper, the research progress of Monascus strain breeding for high MK yield, medium optimization for MK production during Monascus fermentation, and optimization of fermentation process conditions are fully reviewed. This provides reference for future research on Monascus fermentation and industrial production for high-yield MK production.

In order to solve the problem that the total sugar content of the chlortetracycline fermentation tank can not be automatically detected online, a prediction method which combines the output recursive wavelet neural network and the Gauss process regression is proposed in this paper. A soft sensor model between the measurable parameters (inputs) and the total sugar content (output) of the chlortetracycline fermentation tank was established. The soft sensor model was trained by self updating algorithm. Based on field data, the accuracy and generalization ability of the soft sensor model were analyzed. It is shown that the prediction accuracy of the combined model proposed in this paper is better than that of other single models. The results demonstrate the superiority of the method, and MRE and RMSE are used to evaluate the performance of the soft sensor model. It shows that the prediction precision of the soft sensor model based on ORWNN-GPR combination is relatively high in the long period of fermentation, and is suitable for on-line prediction of the total sugar content of the chlortetracycline fermentation tank. The soft sensor method can effectively reduce the labor intensity of the analysts and saves the production cost for enterprise.

The purpose of this study was to investigate potential anti-gouty effect of astilbin (AS) and its possible mechanisms. In mice with hyperuricemia induced by potassium oxonate (OXO) and yeast extract powder (YEP), AS and febuxostat (FB) reduced the serum uric acid (UA) and xanthine oxidase (XO). Moreover, AS and FB reduced the levels of reactive oxygen species and increased the content of superoxide dismutase (SOD), glutathione peroxidase and catalase present in the serum. In acute gouty arthritis rats induced by intraarticular monosodium urate crystal injection, AS and Colchicine (COL) alleviated the ankle joints swelling, and reduced the inflammatory cell infiltration. AS also reduced the levels of interleukin 1β, interleukin 6, tumor necrosis factor alpha and monocyte chemoattractant protein 1 in liver. The present study first confirmed the anti-gouty effect of AS in mice with hyperuricemia and rats with acute gouty arthritis, which provides the experimental evidence for further evaluation of AS as a candidate for gout treatment.

This experiment is based on the 7-year-old dwarf and densely planted pear jujube in northern Shaanxi. The effects of applying organic fertilizer on water use, photosynthetic characteristics, and fruit quality of pear jujube are studied. The test has been carried out for two consecutive years. The results showed that fertilization treatments could promote soil moisture retention and utilization. Compared with the control (CK) in 2011, the average soil water content (SWC) of soybean cake fertilizer (SC) and sheep manure (SM) increased by 3.69 and 3.18 percentage points, respectively. The effect of SC on chlorophyll content was most significant. Fertilization can effectively improve the canopy structure of pear jujube. The transmittance of SC and SM decreased by 20.20% and 17.38%, respectively, in 2012. The gap scores were opposite to the leaf area index (LAI). Continuous application of organic fertilizer can significantly increase the net photosynthetic rate and stomatal conductance of pear jujube. The instantaneous water use efficiency of chemical fertilizer (CF), SC, SM, and biogas fertilizer (BM) increased by 0.44, 1.33, 0.96, and 0.61 percentage points, respectively. Organic fertilizer effectively increased the fruit setting rate, yield, and quality of fruits. After fertilization for two consecutive years, the quality of pear jujube fruit improved significantly. It indicated that long-term fertilization could effectively promote the growth and development, increase yield, and significantly improve the fruit quality of pear jujube in the loess hilly region of northern Shaanxi. The effect of soybean cake fertilizer was the most significant.

In this study, the root exudates of wetland plants, Pistia stratiotes , black algae , and Cyperus alternifolius , exposed to six phosphorus concentration gradients (0, 0.2, 1, 5, 10, and 20 mg/L) were characterized. The experimental seedlings were cultivated in Hoagland solutions, which were then extracted, decompressed, and concentrated with CH 2 Cl 2 ; subsequently, a gas chromatography-mass spectrometry (GC-MS) analysis was performed to study the root exudates effects under different phosphorus concentrations. Results showed the existence of several organic compounds, such as alkanes, esters, alcohols, amines, benzene, and acids (phthalic acid, cycloheptasiloxane, benzoic acid, and cyclopentasiloxane) in the root exudates of the wetland plants. The relative contents of phthalate, benzene dicarboxylic acid, and cyclohexasiloxane in the root exudates first increased, and then decreased, with the change in phosphorus concentration. The relative contents of three compounds in Pistia were the highest at 1 mg/L of phosphorus, and the lowest relative contents of phthalic acid and benzene dicarboxylic acid were observed at 20 mg/L of phosphorus. However, the relative content of cyclohexasiloxane was the lowest in the absence of P stress. In black algae , the relative contents of the three compounds were 36.66, 16.24, and 14.61%, respectively. The relative content of cyclohexasiloxane in the black algae first decreased and then increased, with its lowest relative content occurring at 5 mg/L of phosphorus and the highest at 10 mg/L of phosphorus. In Cyperus alternifolius , the highest relative concentrations of the four compounds: phthalic acid, dimethyl phthalate, octadecane, and diphenyl sulfone in Cyperus were observed at 5 mg/L phosphorus and the lowest at 10 mg/L phosphorus.

The soil water was stratified sampling and analyzed with 0–100 cm by three plantation ( Leucaena Benth Forest land, Dodonaea angustifolia Shrub land and Heteropogon contortus grassland) at the dry-hot Valley in Jinsha River, at June, September, December of 2016, which were to know about the variation and mechanism of soil water movement. The results showed that (1) soil water in different soil layers is significantly different, and the overall performance is shrub land (11.65%) > grassland (8.29%) > forest land (6.76%); (2) the δ D isotope ratio of the soil water from all samples ranged from −146.359% to −54.628% and the δ 18 O isotope ratio ranged from −20.272% to −2.148%, and there is a good linear relationship between isotope ratios of soil water of three different soils; (3) there is a change with season: the intercept of the isotopes ratio at different months decreased in turn, June < September < December. While the shrub lands and grassland had the same pattern but slightly different, the isotope ratio of soil moisture in December was lower, and the intercepts of shrub land in September were significantly larger than in December; (4) there is a change in space: the total difference isotopes ratio of soil water is larger at the shallow soil layer and changed sharply at all positions of the forestland, while those in the shrub land and grassland changed became relatively weakly. This study provides the theoretical basis for the key problems of plant water using mechanism, ecological water demand, vegetation recovery and so on.

This study was aimed to explore the composition and diurnal variation analyses of floral scent emission from Rosa rugosa Thunb. and Tulipa gesneriana L. The floral scent from the fresh flower were collected at different time points (9:00, 12:00, 15:00, 18:00, and 21:00) using dynamic headspace collection and were analyzed using autothermal desorber-gas chromatography/mass spectrometry (ATD-GC/MS). The results showed that a total of 62 volatile flavor compounds were detected from Rosa rugosa Thunb and a total of 70 volatile flavor compounds were detected from Tulipa gesneriana L. They were identified with eight functional categories: alcohols, fatty hydrocarbons, terpenes, aldehydes, ketones, esters, and other substances. The total release amount first decreased, and then increased with time, and arrived at the lowest at 15:00. The release amounts of different categories present distinct change patterns. Among the components, phenylethyl alcohol, citronellol, methylene chloride, hexane, and acetone showed relatively higher release amounts and were thought as the main components in floral scent of Rosa rugosa Thunb. Alpha-Farnesene, ethanol, pentadecane, beta-ocimene, longifolene, caryophyllene, and acetone showed relatively higher release amounts and were thought as the main components in floral scent of Tulipa gesneriana L. Research of roses and tulips in aromatic in the garden provides a theoretical basis and research and improvement of the aroma components of aroma.

Ginkgolide B (GB) and Puerarin (Pue) are active pharmaceutical ingredients for the treatment of Parkinson’s disease (PD); however, both are poorly water-soluble, which limits their bioavailability. The present study used the niosome vesicle encapsulation technique to prepare a novel GB composite drug. The conditions for GB–Pue niosomal complex preparation were as follows: a hydration temperature of 60°C, a hydrophilic–lipophilic balance of 10.5, a drug–carrier mass ratio of 8:100, and a surfactant–cholesterol mass ratio of 1.5:1. The niosomal complex suspension was uniformly distributed and milky white in color, with no stratification over a duration of 1 month. It had an average particle size of 187.3 nm, a particle-size distribution of 0.237, a GB encapsulation efficiency (EE) of 68.2%, a GB drug-loading rate of 90.1%, a Pue EE of 40.5%, and a Pue drug-loading rate of 83.3%. The optimal storage temperature for the niosomal complex suspension was 4°C. Following an intravenous injection of the niosomal complex suspension into the rat tail, the area under the curve (AUC) from 0 to 4 h was 54.1 h µg mL −1 , with a mean residence time (MRT) of 0.96 h, a distribution half-life ( T 1/2α ) of 0.195 h, and a total clearance of 0.003 L h −1  kg −1 . The AUC and MRT of the composite prescription were 1.1- and 1.4-times those of the commercial injection, respectively, showing significantly increased sustained release and bioavailability. Moreover, the distribution of GB in the brain tissue was 1.8-times that of the commercial injection. In conclusion, the novel GB niosomal composite drug, with excellent stability, improved pharmacokinetics, and brain tissue distribution, demonstrates great potential for the delivery of GB and Pue for PD therapeutics.

This study evaluated gamma radiation-enhanced sulfamethazine (SMT) degradation, which belongs to the heterocyclic sulfonamides, in different conditions in aqueous solution. The results showed that gamma irradiation could increase the SMT removal in aqueous solution, and the SMT degradation kinetic follow the modified pseudo-first-order kinetic. The degradation rate was nearly 95% at the absorbed dose of 4 kGy. The removal of total organic carbon (TOC) and total nitrogen (TN) could be also induced. When the radiation dose was 5 kGy, the removal rates were only about 6.8% and 10.5% for TOC and TN, respectively. Some ions including HCOO − , CH 3 COO − and SO 4 2− released during SMT degradation were studied. The biodegradability and toxicity of intermediate products of the SMT degradation were also proposed in this experiment. The biodegradability of the SMT can be improved by the intermediate products of SMT degradation at the radiation dose of 1, 2 and 5 kGy. Gamma radiation could be used as a pretreatment technology before the biodegradation process of pharmaceutical waste water.

To investigate the characteristics of humic acids (HAs) and the combined effects of HAs on heavy metals, three HAs derived from kitchen waste compost (KW), pig manure compost (PM), and green waste compost (GW) were exposed to Cd(II) and Zn(II). The elemental contents and functional groups of HAs were different due to different raw materials. Fulvic-, humic-like content C1, humic-like content C4, and two protein-like contents C2 and C3 were identified in three HAs by EEM-PARAFAC analysis. The effects of HAs on heavy metals were associated with the metal species and HA source. Our results reveal that titrating Cd(II) caused stronger fluorescence quenching compared to titrating Zn(II) for all HAs. C1 and C4 of KW-HAs and PM-HAs showed fluorescence quenching after Cd(II) was added, whereas negligible fluorescence quenching was found when Zn(II) was added. In addition, C1 and C4 in the GW-HAs did not show obvious fluorescence quenching regardless of whether Cd(II) or Zn(II) was added. C3 in all HAs caused significant fluorescence quenching, suggesting that C3 plays an important role affecting the mobility of heavy metals. Consequently, these results suggest that HAs from KW and PM have greater potential for Cd-contaminated soil remediation than those from GW. Graphical Abstract

In this study topsoil samples were collected from 57 sites of Dongxihu District which is a typical Chinese urban–rural combination area, to analyze the causes and effects of 6 heavy elements. (Ni, Pb, As, Cu, Cd, and Hg) Pollution of Enrichment factor, multivariate statistics, geostatistics were adopted to study the spatial pollution pattern and to identify the priority pollutants and regions of concern and sources of studied metals. Most importantly, the study area was creatively divided into central urban, semi-urbanized, and rural areas in accordance with the characteristics of urban development and land use. The results show that the pollution degree of potential ecological risk assessment is Hg>Ni>Cu>As>Cd>Pb, and semi-urban regions> city center> rural areas. Results based on the proposed integrated source identification method indicated that As was probably sourced from agricultural sources (33.99%), Pb was associated with atmospheric deposition (50.11%), Cu was related to industrial source 1 (45.97%), Cd was mainly derived from industrial source 2 (42.97%) and Hg come mainly from industrial source 3 (56.22%). The pollution in semi-urban areas in urbanization need more attention.

Synthesis of bismuth oxide synthesis through the precipitation method using H 2 C 2 O 4 and Na 2 CO 3 precipitating agents, identification of physicochemical properties and its photocatalysis activity for methyl orange degradation were conducted. The bismuth oxide synthesis was undertaken by dissolving Bi(NO 3 ) 3 .5H 2 O in HNO 3 , then added precipitating agents to form precipitate. The results showed that bismuth oxide produced by H 2 C 2 O 4 precipitating agent was a yellow powder containing a mixture of α-Bi 2 O 3 (monoclinic) and β-Bi 2 O 3 (tetragonal), porous with size of 28-85 μm. Meanwhile, the use of Na 2 CO 3 as precipitating agent resulted in bismuth oxide consisting of α-Bi 2 O 3 and β-Bi 2 O 3 and Bi 2 O 4 , irregular shape without pore being 40-115 μm in size. Bismuth oxide synthesized with H 2 C 2 O 4 precipitating agent showed higher photocatalytic activity compared to bismuth oxide synthesized using Na 2 CO 3 on degrading methyl orange dye with degradation rate constants of 2.35x10 -5 s -1 for H 2 C 2 O 4 and 1.81x10 -5 s -1 for Na 2 CO 3 .

In this study, we successfully coated cetyltrimethylammonium–silica on magnetite. The material produced is used to degrade phenol waste in the waters. The effect of the addition of cetyltrimethylammonium bromide (CTAB) on the ability of phenol adsorption was assessed through changes in CTAB concentration of 1, 5, and 10 mM. The results of Fourier-transform infrared spectroscopy explain that CTAB has electrostatic interactions with the silica surface, which is induced by opposite-loaded patches on the opposite surface of silica oxide. The results of the vibrating sample magnetometer show that the magnetite that has been coated by silica–CTA has magnetic properties that are weaker than the initial magnetite, which indicates that the silica–CTA layer has blocked the magnetite. Based on the measurement of the gas sorption analyzer, the largest pore size is in the micro-mesh region, which is between 2 and 6 nm. All magnetite-silica–cetyltrimethylammonium (MS–CTA) showed good adsorption ability of phenol and correlated with the amount of loaded CTAB and admicelle density of the adsorbent. The amount of phenol adsorbed increases proportionately with the increasing density of CTAB admicelles. The maximum phenol adsorption capacity (0.93 mg g −1 adsorbent) is achieved by MS–CTA prepared at a CTAB concentration of 10 mM.

Kinetic parameters describing continuous reaction crystallization of struvite from aqueous solutions containing also calcium ions (from 100 to 2000 mg Ca 2+ /kg) were estimated. Test results were compared with kinetic data of struvite manufactured from real cattle liquid manure. Kinetic model for ideal MSMPR (Mixed Suspension Mixed Product Removal) crystallizer was used assuming dependence of crystal growth rate G on its size L (size-dependent growth, SDG MSMPR model). Based on nonlinear regression and statistical analysis, one from within five considered G ( L ) models was selected – Rojkowski exponential (RE) model – rendering the experimental population density distributions the best. It was concluded, that calcium ions influenced all components of struvite manufacturing process disadvantageously. A rise of Ca 2+ concentration in a feed from 100 to 2000 mg/kg increased nucleation rate ca . 160-time, whereas growth rate of nuclei up to macroscopic size G 0 decreased more than 10-time. Linear (larger) crystal growth rate G ¥ was nearly two-times smaller: 1.71·10 –8 m/s (100 mg Ca 2+ /kg) – 9.10·10 –9 m/s (2000 mg Ca 2+ /kg). Resulting in a product with deteriorated quality. Mean size of the crystals decreased nearly two-times (to 18.4 μm), non-homogeneity within product population enlarged and calcium fraction in the product increased. The product, beside struvite MgNH 4 PO 4 ·6H 2 O, also contained hydrated amorphous calcium phosphate(V) Ca 3 (PO 4 ) 2 · n H 2 O (ACP). It was observed, that 5-times smaller concentration of phosphate(V) ions in a feed and magnesium ions excess in relation to phosphate(V) and ammonium ions (1.2 : 1 : 1) influenced all kinetic parameters of continuous struvite reaction crystallization advantageously.

Opoka is a silica-calcite sedimentary rock chemically and structurally similar to diatomaceous earth (DE), composed mainly of silicon dioxide (SiO2), calcium carbonate (CaCO3), amorphous SiO. Opoka occurs predominantly in South Eastern Europe and Russia. Due to these specific properties investigation on the effect of opoka-enriched diet on chemical composition and overall quality of breast and leg muscles of broilers was initiated. Working samples showed a statistically significant increase in ash content or water content and a decrease in lipid content in the leg muscles of both male and female broilers (P<0.01). Furthermore, the addition of opoka to the diet increased WHC of leg muscles in females and hardness or chewiness of these muscles in both genders (P<0.05). The supplementation of broiler diet with opoka can be effectively applied to modify texture features of leg and breast muscle tissue which might, in turn, serve to regulate the nutritional and technological value of chicken meat.

Nicosulfuron is a herbicide used for plant protection. This paper presents the results of research on the physicochemical properties of three herbicidal preparations containing nicosulfuron as the active substance by measuring and comparing its concentration by the chromatographic method. These preparations are in the form of a concentrated suspension intended for dilution with water, and due to the fact that nicosulfuron contained in the tested preparations is sensitive to water quality, while checking the physicochemical properties of the preparations, a dispersion for soft (pH: 5–7) and hard (pH: 8–9) water was also determined. It is important to note that high content of mineral salts in water may have a negative effect on the biological activity of the substance. In addition, the use of herbicides does not only apply to the use of appropriate dilutions, which are effective and not harmful to the environment. However, it is also important to consider specific farmer and equipment used, so that the preparation is easy to use and does not adversely affect the kit used for spraying. This study has shown that depending on the preparation used based on the amount of active substance 40 g/l, the amount of nicosulfuron varies. The test indicators in the form of pH and density are similar, while during the tested dispersion, differences depending on the tested water were observed (sediments were observed in only one preparation tested). Differences depending on the occurrence of sediments in the water used, both at 0 and 24 h, are signaling in favor of the soft water. Therefore, it is important to assess the hardness of the water, which in turn guarantees a reduction of the amount of deposits and protection of agricultural equipment used for spraying.

This article focused on the content of lycopene in fresh and dried tomatoes and tomato pomace, as well as in tomato paste at different harvest times (harvest 1 – August and harvest 2 – September). The lycopene content of tomatoes and tomato products was evaluated by using high-performance liquid chromatography (HPLC). The results showed that the highest content of lycopene was estimated in the tomato paste independent of the time of harvest (211.73 mg/100 g dm in August and 184.29 mg/100 g dm in September) and the lowest content in fresh pomace (20.45 and 16.11 mg/100 g dm in August and September, respectively). Good sources of lycopene are tomato by-products, in particularly dried tomato pomace (25.11 mg/100 g dm – harvest 1 and 19.30 mg/100 g dm – harvest 2). This study showed that tomato waste can be considered as a promising source of lycopene for the production of functional foods.

This paper presents the results of the mixing of a multicomponent feed for cattle. Three types of mixtures with different proportions of individual components and granulometric composition were selected. After the mixing process, the fraction of the key component (tracer) was determined. Tracer consisted of crushed grains of yellow maize, which was wet treated with a 0.01% solution of Rhodamine B. A tracer with two different average particle sizes d 1 = 2.0 mm and d 2 = 1.25 mm was introduced into the mixture. Then, the sample was illuminated with UV light, and the content of the tracer in the sample was evaluated using the computer image analysis. In addition, the tracer was separated to determine its fraction using a laboratory scale. From the obtained results, the high reliability of the fluorescence optical method for the evaluation of the homogeneity of granular multicomponent mixtures was proved. It was also observed that slightly better results were obtained for a tracer with a larger average particle size ( d = 2.0 mm), although the comparative analysis did not indicate a significant statistical difference in the results in each series of tests.

This study aimed to examine the influence of increasing doses of chromium (Cr) (26, 39, and 52 mg kg −1 soil) and elemental sulfur (S) (60 mg kg −1 soil) on growth, yield, and mineral nutrition in wheat and maize. Macro- and micronutrients and Cr concentrations were determined in the aboveground parts of plants. All examined doses of Cr caused a marked decrease in the fresh and dry weight of maize. Wheat was more tolerant than maize, and lower Cr doses caused a small but statistically significant increase in the total yield. Wheat accumulated more than twofold Cr than maize, and the concentrations increased with higher Cr concentrations in the soil. The application of S significantly improved the total biomass production and lowered the Cr content in both plants. Cr changed the mineral nutrition in both cereals, but the pattern of changes observed was not the same. Applying S alleviated some adverse effects caused by the Cr. Hence, it is concluded that the application of elemental S may be an effective strategy to reduce adverse effects in plants grown on soil contaminated by heavy metals, especially Cr.

The aim of the study was to assess the impact of the duration of the use of a biofiltration bed on the efficiency of biofiltration of sulphur compounds and on the physicochemical and microbiological properties of the bed. The study was carried out at an animal waste treatment plant. Two biofiltration chambers (beds A and B) filled with different organic mixtures (compost soil, peat, coconut fibre and oak bark) were used in the biofilter. Chromatographic analysis showed a very high rate of effectiveness in the first study period, irrespective of the packaging material used. The best effects were obtained for inorganic sulphur compounds (above 99%). The duration of use of the bed material was shown to affect the efficiency of biofiltration. After 3 years of operation, thiol degradation efficiency fell below 50%. The biological decomposition of inorganic compounds (H 2 S + SO 2 ) was 73% and 59.6% in beds A and B, respectively. Analysis of the biofiltration material indicated stabilization of its physicochemical parameters. Numbers of bacteria were not found to be depend on the duration of use or the type of filtering media.

The interest in natural fibre reinforced composites is growing in industrial applications due to natural fibres being an attractive alternative to synthetic fibres. However, it is necessary to improve the fire behaviour of the material because natural fibres have a high combustibility. The objective of this work is to evaluate the fire resistance of polymer composites reinforced with natural fibre fabric, using magnesium hydroxide as flame retardant for the polymeric matrix and alkali treatment for the fibre. The types of fabric are banana, banana with cotton and linen; and long banana fibre has been used for the formation of a nonwoven. The fire test is carried out based on ISO 9773 standard and the effect of the additive has been studied, chemical treatment, type of fabric and number of layers. Through statistical analysis, it is concluded that the flame propagation speed has a decreasing relation with respect to the percentage, but it decreases the mechanical properties considerably. In addition, the number of layers and type of fabric influence the fire properties. Finally, it is concluded that composites reinforced with linen fabric have the best mechanical properties, but banana nonwoven with 60% additive has the best fire behaviour.

The release of drugs from solid drug delivery materials has been studied intently in recent years. Quantitative analyses achieved from in vitro dissolution becomes easier if a zero-order mathematical model is used. Non-gelatin nutraceutical hard-shell capsules of zero size (approximately 0.7-0.8 cm) were produced from carrageenan-based natural polymers, namely carrageenan-alginate (CA) and carrageenan-starch (CS). Disintegration, dissolution and zero-order drug release kinetics of hard-shell capsules containing 100 mg of salicylamide were studied. The disintegration time of CA and CS were observed to be less than 30 min for both CA and CS. In vitro dissolution profile showed that the percentage dissolution of CA capsules was better at pH 4.5, while that of CS was poor at pH 1.2, 4.5 and 6.8. Determination of drug release kinetics profiles of carrageenan-based hardshell capsules utilized the Noyes-Whitney and Peppas-Sahlin modification rules for zero-order. The drug release from carrageenan-based capsules followed zero-order kinetics, especially at pH 6.8, and was compared to the Higuchi model. Salicylamide in CA hard-shell capsules at a pH 6.8 had a release rate constant (k H ) of 2.91 %(ppm/ ppm) min -1/2 , while the release rate constant of CS was 0.36 %(ppm/ppm) min -1 .

Synthesis of amorphous aluminosilicates from high impurities in Indonesian kaolin were carried out in several ways, directly from kaolin and indirectly from metakaolin (calcined kaolin), both with silica addition and without silica addition. Synthesis was conducted in a gradual temperature hydrothermal reaction and in a constant temperature hydrothermal reaction. Before being synthesized, kaolin impurities were separated according to density and/or particle size by centrifugation. X-Ray Diffraction and FTIR Spectrometry characterization of the synthesized product showed that the results of synthesis of aluminosilicates from metakaolin via hydrothermal with gradual temperature or constant temperature produced aluminosilicates with high quartz impurities, while synthesis with the addition of silica in hydrothermal conditions at 80°C for 12 hours can produce aluminosilicate with a low quartz content. Direct synthesis from kaolin with the addition of silica could produce pure aluminosilicates. Graphical Abstract

The demands of ecofriendly technologies to produce a reliable supply of renewable energy on a large scale remains a challenge. A solar cell based on DSSC (Dye-Sensitized Solar Cell) technology is environmentally friendly and holds the promise of a high efficiency in converting sunlight into electricity. This manuscript describes the development of a light harvester system as a main part of a DSSC. Congo red dye has been functionalized with metals (Fe, Co, Ni), forming a series of complexes that serve as a novel light harvester on the solar cell. Metal-congo red complexes have been characterized by UV-VIS and FTIR spectroscopy, and elemental analyses. The performance of metal complexes in capturing photons from sunlight has been investigated in a solar cell device. The incorporation of metals to congo red successfully improved of the congo red efficiency as follows: Fe(II)-congo red, Co(II)-congo red and Ni(II)-congo red had efficiencies of 8.17%, 6.13% and 2.65%, respectively. This research also discusses the effect of metal ions on the ability of congo red to capture energy from sunlight.

This research was conducted using beef extracted from Kupang (se’i meat), Indonesia. Se’i meat is a locally found food where the preferred mode of preparation is smoking the beef with the preservation using nitrites. Nitrite can cause health-related problems such as cancer. This research was carried out using a true experimental method with a complete randomized design with the aim of analyzing the effect of meat administration on the expression of wild-type p53 protein in colon cells of Balb/c mice as an indicator of carcinogenesis. The measurement of p53 is to observe the increase in the-over-capacity of p53 expression in the colon cell as a result of decrease in wild-type protein p53. This research provides scientific information about the effect of giving se’i meat on the expression of wild-type p53 in cells of Balb/c mice as an indicator of carcinogenesis. A total of 36 male mice of Balb/c strain weighing 23.8 g were divided into four groups classified as samples (P1, P2 and P3) and control (K), which were taken from modern and home industries in the city of Kupang. The results showed that consumption of nitrite-preserved beef se’i (traditional smoked meat) increased the p53 protein expression in colon cells of Balb/c strain male mice, and the least significant difference test also showed that there were differences in wild-type p53 protein expression among the four groups: P1 (mice that have been given the standard food, drinking water and se’i meat that contains no nitrite) has an average of 142 expressions, which is higher than that of P3 (mice that have been given the standard food, drinking water and se’i meat containing nitrite which come from the home industry) which has an average of 106.55 expressions and is higher than that of K (mice that have been given the standard food and drinking water) which has the total average of expression of about 78.11 expressions. The benefit of this research is to gain the scientific information about the effect of giving smoked meat on the expression of wild-type p53 in colon cells of Balb/c mice as a carcinogenic indicator.

The synthesis of collagen–hydroxyapatite composites has been carried out, and the biocompatibility and osteoconductivity properties have been tested. This research was conducted to determine the ability of hydroxyapatite–collagen composites to support the bone growth through the graft surface. Hydroxyapatite used in this study was synthesized from coral with a purity of 96.6%, while collagen was extracted from the chicken claw. The process of forming a scaffold of collagen–hydroxyapatite composites was carried out using the freeze-drying method at −80°C for 4 h. The biocompatibility characteristics of the sample through the cytotoxicity tests showed that the percentage of viable cells in collagen–hydroxyapatite biocomposite was 108.2%, which is higher than the percentage of viable cells of hydroxyapatite or collagen material. When the viable cell is above 100%, collagen–hydroxyapatite composites have excellent osteoconductivity as a material for bone regeneration.

This study was aimed to determine the effect of different boron doses (boron free, pure boron with 8 liters per decare and in 1/8 ratio diluted boron) on the rate and quality of volatile oil in musk grown in Kütahya-Gediz conditions. Essential oil from Musk Sage was obtained by hydrodistillation method (GC-MS/FID). In the analysis carried out in 2017, the rate of essential oil was found to be 0.11% in the plant grown without boron, while it was 0.44% in the plant grown with pure boron. However, this rate was found as 0.23% in the 1/8 boron ratio application. The main components of volatile oil were found as follows: for the boron-free application—spathulenol 23.75%, caryophyllene oxide 19.41%, linalool 10.10%, and sclareoloxide 9.92%; for the pure dose application—spathulenol 26.67%, sclareoloxide 18.81%, and caryophyllene oxide 16.13%; for in 1/8 ratio diluted boron dose application—spathulenol 24.82%, sclareoloxide 16.68%, and caryophyllene oxide 14.86%. It has been observed that pure boron dose has a positive effect on the essential oil ratio and components of Musk Sage.

This study is focused on the adsorption of hexavalent chromium ions Cr( vi ) using graphene oxide (GO). The GO was prepared by chemical oxidation (Hummers method) of graphite particles. The synthesized GO adsorbent was characterized by Fourier transform infrared spectroscopy and UV-Vis spectroscopy. It was used for the adsorption of Cr( vi ) ions. The theoretical calculations based on density functional theory and Monte Carlo calculations were used to explore the preferable adsorption site, interaction type, and adsorption energy of GO toward the Cr( vi ) ions. Moreover, the most stable adsorption sites were used to calculate and plot noncovalent interactions. The obtained results are important as they give molecular insights regarding the nature of the interaction between GO surface and the adsorbent Cr( vi ) ions. The found adsorption energy of −143.80 kcal/mol is indicative of the high adsorptive tendency of this material. The adsorption capacity value of GO toward these ions is q = 240.361 mg/g.

Streptococcus mutans ( S. mutans ) has been identified as a major etiologic agent of human dental caries and forms a significant proportion of oral streptococci in carious lesions. This study investigates the correlation of surface properties (effect of contact angle [CA] and free surface energy) on three restorative materials (zirconia, nickel–chromium–molybdenum alloy and composites) used in dental prosthetics with bacterial adhesion to S. mutans . Ten samples of each material (zirconia, nickel–chromium–molybdenum alloy and composites) of 8 mm diameter and 2.5 mm thickness were used. Aqueous CA measurements, free surface energy and bacterial adhesion to the sample surfaces were performed. Bacterial adhesion is determined by planting samples in the blood agar cultures and using an electron microscope (scanning electron microscopy [SEM]). The highest values of bacterial adhesion are found in composites, followed by the metal alloy, while the lowest values are observed in zirconia. Measurements show that zirconia has 17 bacteria; Ni–Cr–Mo alloy has 65, while the composite has 80 bacteria. The composites showed the highest degree of bacterial adhesion, compared to the other investigated materials, which correlates with the free surface energy of the samples (24.31 mJ/m 2 for zirconia, 31.78 mJ/m 2 for Ni–Cr–Mo alloy and 48.82 mJ/m 2 for the composite).

The corrosion behavior of copper in 0.1 M aqueous sulfuric acid medium has been studied using potentiodynamic polarization measurements, quantum chemical calculations, and molecular dynamic simulations in the presence and absence of (2 E ,5 E )-2,5-dibenzylidenecyclopentanone ( M1 ) and (2 E ,5 E )-bis[(4-dimethylamino)benzylidene]cyclopentanone ( M2 ). The compounds were freshly prepared in high yields via the Claisen–Schmidt reaction between the cyclopentanone and the corresponding aryl aldehyde. The results from the potentiodynamic measurements imply that M1 and M2 act as mixed inhibitors due to their adsorption on the copper surface. The more pronounced corrosion inhibition performance of the M2 molecule in comparison to M1 was related to the fact that this molecule contains two basic nitrogen atoms (in 4-dimethylamino group).

Diabetes mellitus type 2 (DMT2) is a severe and complex health problem. It is the most common type of diabetes. DMT2 is a chronic metabolic disorder that affects the way your body metabolizes sugar. With DMT2, your body either resists the effects of insulin or does not produce sufficient insulin to continue normal glucose levels. DMT2 is a disease that requires a multifactorial approach of controlling that includes lifestyle change and pharmacotherapy. Less than ideal management increases the risk of developing complications and comorbidities such as cardiovascular disease and numerous social and economic penalties. That is why the studies dedicated to the pathophysiological mechanisms and the treatment of DMT2 are extremely numerous and diverse. In this study, exploratory data analysis approaches are applied for the treatment of clinical and anthropometric readings of patients with DMT2. Since multivariate statistics is a well-known method for classification, modeling and interpretation of large collections of data, the major aim of the present study was to reveal latent relations between the objects of the investigation (group of patients and control group) and the variables describing the objects (clinical and anthropometric parameters). In the proposed method by the application of hierarchical cluster analysis and principal component analysis it is possible to identify reduced number of parameters which appear to be the most significant discriminant parameters to distinguish between four patterns of patients with DMT2. However, there is still lack of multivariate statistical studies using DMT2 data sets to assess different aspects of the problem like optimal rapid monitoring of the patients or specific separation of patients into patterns of similarity related to their health status which could be of help in preparation of data bases for DMT2 patients. The outcome from the study could be of custom for the selection of significant tests for rapid monitoring of patients and more detailed approach to the health status of DMT2 patients.

The similarity patterns in the physicochemical properties of copper–lead and copper–zinc borate glasses were identified by means of finding similarity within the objects of study using multivariate statistical analysis. As exploratory methods of multivariate analysis, cluster analysis, principal components analysis, and two-way clustering were applied for a set of copper–lead and copper–zinc borate glasses. Specific correlations among the physicochemical properties of copper glasses were interpreted. In particular, the effect of Pb and Zn doping metal ion in copper glasses in the structural and mechanical properties is identified. Interestingly, the degree of lead content determines two kinds of glasses with specific physicochemical properties.

The main objective of this study is to obtain some knowledge of cationic and anionic radicals in early embryo implantation in mice. The method used in this study is known as histochemical staining, in which Xylidine ponceau was used at pH 2.5 and toluidine blue was used at pH 4.0. We detected the change in glycosaminoglycans and total proteins in the endometrial stroma during the preimplantation of mice. This study revealed that the distribution patterns of cationic radicals and anionic radicals are similar on days 4 and 5 of pregnancy. However, there was a distinct difference between cationic radicals and anionic radicals on day 8 of pregnancy. The distribution pattern of cationic radicals is more concentrated in the stroma near the conceptus. Laboratory studies on histochemical stain provide more information about early embryo implantation.

Physical and chemical methods have been developed for water and wastewater treatments. Adsorption is an attractive method due to its simplicity and low cost, and it has been widely employed in industrial treatment. In advanced schemes, chemical oxidation and photocatalytic oxidation have been recognized as effective methods for wastewater-containing organic compounds. The use of magnetic iron oxide in these methods has received much attention. Magnetic iron oxide nanocomposite adsorbents have been recognized as favorable materials due to their stability, high adsorption capacities, and recoverability, compared to conventional sorbents. Magnetic iron oxide nanocomposites have also been reported to be effective in photocatalytic and chemical oxidation processes. The current review has presented recent developments in techniques using magnetic iron oxide nanocomposites for water treatment applications. The review highlights the synthesis method and compares modifications for adsorbent, photocatalytic oxidation, and chemical oxidation processes. Future prospects for the use of nanocomposites have been presented.

As fossil fuels were depleting at an alarming rate, the development of renewable energy has become necessary. One of the promising renewable energy to be used is biodiesel. The interest in using third-generation feedstock, which is microalgae, is rapidly growing. The use of third-generation biodiesel feedstock will be more beneficial as it does not compete with food crop use and land utilization. The advantageous characteristic which sets microalgae apart from other biomass sources is that microalgae have high biomass yield. Conventionally, microalgae biodiesel is produced by lipid extraction followed by transesterification. In this study, combination process between hydrothermal liquefaction (HTL) and esterification is explored. The HTL process is one of the biomass thermochemical conversion methods to produce liquid fuel. In this study, the HTL process will be coupled with esterification, which takes fatty acid from HTL as raw material for producing biodiesel. Both the processes will be studied by simulating with Aspen Plus and thermodynamic analysis in terms of energy and exergy. Based on the simulation process, it was reported that both processes demand similar energy consumption. However, exergy analysis shows that total exergy loss of conventional exergy loss is greater than the HTL-esterification process.

Microalgae have been considered as a potential candidate for biodiesel feedstock. Single-stage simultaneous extraction–transesterification process is proposed for simpler and more effective biodiesel conversion. In this study, the experiment of biodiesel production from microalgae Spirulina sp. was performed in a batch-stirred reactor using palm oil as a co-solvent of methanol and catalyzed by potassium hydroxide at a percentage of 1 wt% (w/w of palm oil). The effects of methanol–palm oil molar ratio, palm oil–microalgae weight ratio, and temperature on biodiesel yield were investigated. The results showed that the best biodiesel yield was 85.28% (99.01% of partial biodiesel yield from palm oil and 16.69% of partial biodiesel yield from dry microalgae), obtained at a methanol–palm oil molar ratio of 10:1, a palm oil–microalgae weight ratio of 5:1, and at a temperature of 60°C. Upon comparison, the overall yield increased by 34.59% (37.73% of partial biodiesel yield from palm oil and 13.00% of partial biodiesel yield from dry microalgae) than that of the two-stage (conventional) method. Single-stage simultaneous extraction–transesterification process also reduced the number of unsaturated fatty acid components in biodiesel that will lower the biodiesel quality.

Counting polynomials are mathematical functions having as coefficients the multiplicity of property partition and as exponent the extent of the corresponding partition. In this work, four counting polynomials are computed: omega, theta, sadhana, and Padmakar–Ivan (PI) polynomials of benzene ring embedded in the P-type surface on 2-D network and n -phenylene. Moreover, the closed formulas of the corresponding indices of these polynomials are also proposed. These results could help to better understand the topology of these important structures.

Chemical graph theory is a subfield of graph theory that studies the topological indices for chemical graphs that have a good correlation with chemical properties of a chemical molecule. In this study, we have computed M-polynomial of zigzag edge coronoid fused by starphene. We also investigate various topological indices related to this graph by using their M-polynomial.