Volume 17, Issue 1

LC technology is a recognized method used worldwide to evaluate the quality of traditional Chinese medicines (TCM). The quality of TCM has a direct impact on its efficacy. Therefore, in order to thoroughly reveal how TCM exerts its efficacy, first of all, it is necessary to understand the material basis for its efficacy, and then to control the quality of active compounds. The application of the spectrum-effect relationship method is crucial for determining the pharmacological material basis. The goal of this paper was to investigate the underlying correlations between the chemical profiles and oestrogenic activity of Cistanche , to reveal the active compounds. The chemical profiles of Cistanche were recorded using HPLC/Q-TOF-MS/MS, and oestrogenic activity was determined by the Uterus growth test and the MTT assay. Then combining the results of bivariate analysis, principal component analysis and gray correlation analysis method, fifteen active compounds were identified. They are 8-epiloganic acid, salidroside, syringalide A 3’-α-l-rhamnopyranoside, cistanoside A, echinacoside, cistanoside F, cistanoside B, cistanoside C, osmanthuside B, acteoside, isoacteoside, tubuloside B, 2’-acetylacteoside, and two unknown compounds. This study lays a foundation for in vivo studies of Cistanche and for the development of its clinical application.

In Turkish folk medicine, the fruits of Pyrus elaeagnifolia subsp. elaeagnifolia have been used to treat diarrhea and detoxify poisonous snake bites by enlarging the wound. The aim of the study was to confirm the ethnopharmacological usage of the plant using in vivo and in vitro models. Experimental colitis was performed under anesthesia by intrarectal administration of acetic acid in rats, and the extracts were administered orally. The colonic malondialdehyde (MDA), tumor necrosis factor (TNF- α ), interleukin-6 (IL-6), and nitrite levels, in addition to the myeloperoxidase (MPO) and caspase-3 activities, were measured to determine the effects of the plant extracts. The methanol (MeOH) extract revealed a significant decrease in MPO and caspase-3 levels. The MeOH extract was found to have the highest total tannin content. It was also found to have significant antioxidant ( p ˂ 0.01) and anti-inflammatory activities ( p ˂ 0.05) in acetic acid induced colitis rat model . According to our results, the present study exhibited a decrease in MDA, nitrite, IL-6, and TNF- α levels in the colon tissue and blood in the MeOH extract treated group. The findings of this study can help in treating various disorders, such as Clostridium difficile infection, irritable bowel syndrome, and inflammatory bowel diseases.

Bryonia species have traditionally been used as a diuretic and laxative, to reduce edema and relieve joint pain. B. alba roots are used especially to treat rheumatic pain and applied to painful joints in Turkish folk medicine. B. alba roots were extracted with n -hexane, ethyl acetate (EtOAc), and methanol, successively. The carrageenan-induced hind paw edema model and the Whittle method were used to evaluate the anti-inflammatory activity of the extracts in mice. The p -benzoquinone-induced abdominal constriction test and tail flick test were used to evaluate the antinociceptive activity of the extracts in mice. DPPH-radical-scavenging activity, ABTS radical–scavenging activity, total antioxidant activity, and hydroxyl radical– scavenging activity were assessed. Furthermore, the total phenolic and total flavonoid contents were calculated for all the extracts. The EtOAc extract prepared from B. alba roots had the most promising anti-inflammatory, antinociceptive, and antioxidant activities. Moreover, it had high phenolic and flavonoid contents. Therefore, B. alba roots could be alternative treatment method for rheumatic disorders.

A full membrane fusion model which attains both complete lipid mixing and content mixing liposomal membranes mediated by coiled-coil forming lipopeptides LPK [L-PEG 12 -(KIAALKE) 3 ] and LPE [L-PEG 12 -(EIAALEK) 3 ] is presented. The electrostatic effects of lipid anchored peptides on fusion efficiency was investigated. For this, the original amino acid sequence of the membrane bound LPK was varied at its ‘f’-position of the helical structure, i.e. via mutating the anionic glutamate residues by either neutral serines or cationic lysines. Both CD and fluorescence measurements showed that replacing the negatively charged glutamate did not significantly alter the peptide ability to form a coiled coil, but lipid mixing and content mixing assays showed more efficient liposome-liposome fusion resulting in almost quantitative content mixing for the lysine mutated analogue ( LPK K ) in conjunction with LPE . A mechanism is proposed for a fusion model triggered by membrane destabilizing effects mediated by the membrane destabilizing activety of LPK in cooperation with the electrostatic activity of LPE . This new insight may enlightens the further development of a promising nano carrier tool for biomedical applications. Graphical Abstract

The Blood-Brain Barrier (BBB) permeability is an important factor governing a drug’s ability to act upon the Central Nervous System. The measure of the BBB permeability used throughout this study is the log BB (the blood/brain partitioning coefficient) measured in vivo or calculated. Useful yet simple models of the BBB permeability were developed by Stepwise Multiple Regression Analysis based on the chromatographic parameters R f and R f /PSA obtained by RP-18 TLC with acetonitrile - pH 7.4 phosphate buffered saline 70:30 (v/v) as mobile phase, combined with descriptors - the number of H-bond donors ( HD ), the number of H-bond acceptors ( HA ), energy of the highest occupied molecular orbital – ( eH ), energy of the lowest unoccupied molecular orbital ( eL ). The ability of the solutes to cross the BBB has been studied qualitatively using Discriminant Function Analysis. Almost all compounds with the known BB vivo parameter were correctly classified as CNS+/-. The classification functions based on R f /PSA have been verified using an external group. The results of the chromatographic analysis proposed in this study (RP-18 TLC) are a source of valuable information on the BBB permeability of compounds available even on a very small scale.

A significant promotion of growth and accumulation of metabolites of freshwater microalga Euglena gracilis was obtained by adding phytic acid to the culture. Phytic acid concentration of 0.05% (v/v) showed a maximum biomass increase of 1.6-fold compared to the control group. Synchronous variation in the content and proportion of photosynthetic pigments was also observed. The total chlorophyll content increased with phytic acid concentration, suggesting the enhanced capacity of absorbing light. Cell length, an important biomarker for E. gracilis , was prolonged to a certain extent under light condition, indicating the state of the cells was more active. Since phytic acid is derived from agro waste of rice bran, it is promising as a low-cost but high-efficient growth promoter of E. gracilis .

The native fluorescence of sotalol hydrochloride (SOT) was used as a basis for establishing a new method of analysis for SOT in tablets and spiked human plasma. The fluorescence of SOT in water was measured at 310 nm when excited at 235 nm. The detection limit (LOD) was 0.37 ng/mL and the quantification limit (LOQ) was 1.08 ng/mL. The proposed method offers high sensitivity which permits determination of SOT, even if present in a very small amount, in human plasma. The obtained results were successfully compared to that of a reference pharmacopeial method and statistical analysis proved a good agreement between the results of both methods. Further investigation of the SOT stability upon exposure to various stress conditions, such as acidic, alkaline, oxidative and photolytic degradation conditions was also performed. The kinetics of acidic, alkaline and oxidative degradation of the drug showed a pseudo first order degradation reaction. A proposal of the degradation pathway was suggested and confirmed by developing a thin layer chromatographic method used for separation of SOT and its acidic and alkaline degradation products. Graphical Abstract

A large number of medical experiments have confirmed that the features of drugs have a close correlation with their molecular structure. Drug properties can be obtained by studying the molecular structure of corresponding drugs. The calculation of the topological index of a drug structure enables scientists to have a better understanding of the physical chemistry and biological characteristics of drugs. In this paper, we focus on Hyaluronic Acid-Paclitaxel conjugates which are widely used in the manufacture of anticancer drugs. Several topological indices are determined by virtue of the edge-partition method, and our results remedy the lack of medicine experiments, thus providing a theoretical basis for pharmaceutical engineering.

Saturated pool boiling in a two-component water-ethanol solution was studied at a pressure of one atmosphere in a horizontal stainless steel cylinder. Solutions with volumes of 3%, 7%, and 12% of water-ethanol solution were examined at a heat flux of 1.8 to 60 kW/m 2 . Videos and photos were analyzed and changes in bubble diameter, growth, and departure parameters were recorded. The results showed that the bubble departure diameters increased with increasing heat flux, but diameters decrease with increasing ethanol mass fraction. The experimental data are evaluated with two models of Alavi Fazel and Hamzehkhani’s model, have better fitting with Hamzehkhani’s model. Graphical Abstract

This study aimed to reveal potential roles of the phosphatidylinositol 3 kinase (PI3K)-protein kinase B (Akt)-mammalian target of rapamycin (mTOR) signaling pathway in apoptosis and autophagy of astrocytes induced by methamphetamine (METH). A Cell Counting Kit-8 (CCK-8) was used to determine the reduction in proliferation of U-118 MG cells induced by METH. Hoechst 33258 and flow cytometry were used to observe the astrocytes. Western blot analysis was performed to evaluate protein expression and phosphorylation levels. METH inhibited the proliferation of U-118 MG cells and induced apoptosis and autophagy. Western blot analysis showed that the ratio of LC3-II/I was increased, whereas the expression of Bcl-2 was decreased. The phosphorylation cascade of kinases in the PI3K-Akt-mTOR signaling pathway was significantly inhibited by METH exposure, as were proteins downstream of mTORC1, such as p70s6k, rps6, 4EBP1 and eIF4E. METH inhibited proliferation of U-118 MG cells and induced apoptosis and autophagy. The PI3K-Akt-mTOR signaling pathway likely plays a critical role in these effects.

Soil moisture, stable hydrogen, and oxygen isotopes were sampled and determined in a demonstration area of soil and moisture conservation at the Laocheng Town of Yuanmou County in Chuxiong Prefecture, Yunnan of three land use types: Leucaena Benth artificial forest, Heteropogon contortus grass field, and farmland. The characteristics of stable hydrogen and oxygen isotopes of soil moisture in these different land use types at different soil depths were analyzed to investigate the regularities in the quantitative formation of soil moisture balance. In terms of forest land, we found that the variable coefficient of hydrogen isotopes in the 0-20 cm soil layer was the smallest, but decreased with depth under 20 cm. While in grassland, the variable coefficient in 80-100 cm was the largest, and decreased with depth above 80 cm. As for farmland, the variable coefficient in the top 20 cm was the largest, followed by 40-60 cm, and the medium 20-40 cm was the smallest. The soil moisture hydrogen isotope values of three land use type were different at surface layer, but prone to be consistent in each type. Along the soil depth in forest land, the hydrogen isotope increased first and then decreased, while increased in the end, and the maximum appeared in 80-100 cm. In grassland, the hydrogen isotope increased initially as the forest land but then decreased continuously, so the maximum was found at 20-40 cm. And in grassland, the hydrogen isotope of all depths were higher than which of forest land and farmland. In same land use type, the hydrogen isotope of soil moisture changed significantly at the surface, and the variation of hydrogen isotopes was obviously decreased along the depth. Our findings could provide reference data which would contribute to the assessment of regional groundwater resources in the dry-hot valley of Yuanmou in this study.

A simple, selective and highly sensitive spectrofluorimetric method for the quantitative detection of an antiviral drug, daclatasvir (DCV) has been developed and analytically validated in its pure form, in its commercially available pharmaceutical preparations, and in hepatitis-C (HCV) patient’s plasma. The method was based on recording the native fluorescence of DCV that exhibit an emission wavelength maximum at 380 nm upon excitation at 320 nm. Many factors affecting the fluorescence intensity and the method sensitivity including pH, type of surfactant and solvent have been studied and optimized. In addition, a stability-indicating study was performed in accordance with the guidelines of the International Conference on Harmonization (ICH), to detect the drug in the presence of its degradation products which validates the method for application in quality control laboratories. In addition, extraction of DCV from the plasma proteins was performed using a simple technique that was based on using methanol and borate buffer (pH 9) that gave a recovery of ~95%. The results showed that DCV could be detected using this method in the pure form (with a linear range of 2-1000 ng/mL), commercially available tablets and in plasma samples (with a linear range of 5-1000 ng/mL), without any interferences. Furthermore, the method was also analytically and clinically validated according to the Food and Drug Administration (FDA) guidelines, with limit of detection (LOD) of 0.3 and 0.5 ng/mL for DCV in the pure form and plasma samples, respectively. Graphical Abstract

The influence of chromium compounds on the properties of cobalt molybdenum nitrides was studied. CoMoO 4 obtained by precipitation from cobalt and molybdenum salts was modified by the addition of chromium(III) nitrate. A mixture of cobalt-molybdenum nitrides, Co 2 Mo 3 N and Co 3 Mo 3 N, was formed by ammonolysis of modified CoMoO 4 . The concentration of Co 2 Mo 3 N decreases with increasing chromium content. The specific surface area of cobalt molybdenum nitrides consisting of 2 wt% of Cr atoms increased by 50% in comparison to pure cobalt molybdenum nitrides. The catalytic activity of obtained catalysts in ammonia synthesis process decreases with rising of chromium concentration. Graphical Abstract

Ginsenoside Rh 2 is one of the rare ginsenosides extracted from Panax ginseng C. A. Mey. The anti-allergic activity of ginsenoside Rh 2 has been documented in some literature. In this work, an anti-allergic mechanism of ginsenoside Rh 2 was investigated by focusing on the differentiation of T cells through Langerhans cells (LCs). Langerhans cell-like dendritic cells (LDCs) were generated in vitro and were used as substitute for LCs. In vivo the mRNA expression for IFN-γ and CXCR3 of T cells was increased after being injected with ginsenoside Rh 2 -treated LDCs thereby increasing the concentration of IFN-γ in the culture supernatants of CD3 + /CD28 + T lymphocytes. However, in vitro , the expression of mRNA for CD40 and CD80 on ginsenoside Rh 2 -treated LDCs was up-regulated significantly and the endocytic activity of LDCs was down-regulated slightly. These findings indicate that T cells differentiation could be regulated by ginsenoside Rh 2 through LDCs in vivo by altering the antigen presenting capacity, maturation and phagocytosis of LDCs.

The aim of the study was to identify the Pm2, Pm3a, Pm4b and Pm6 genes and to develop multiplex PCR reaction conditions to reduce time and limit analysis costs. The following molecular markers were used for gene identification: Xcfd81, Whs350 and Xgwm205 (for Pm2 ), Pm3a (for Pm3a ), STS_241 and Xgwm382 (for Pm4b ), NAU/BCDSTS 135-2 (for Pm6 ). Plant material consisted of 7 popular European wheat varieties from the wheat collection at the Department of Genetics and Plant Breeding of the Poznań University of Life Sciences. The field experiment was established in 2017 and 2018 on 10 m 2 plots in a randomized complete block design in three replicates in the Dłoń Agricultural Experimental Farm of the Poznań University of Life Sciences (51°41’23.835”N 017°4’1.414”E). The analyses demonstrated that the accumulation of all identified Pm genes was found in the Assosan variety. The accumulation of the Pm2, Pm4b and Pm6 genes was found in Atomic, Bussard, Lear, Sparta, Tonacja and Ulka varieties. The work also involved developing multiplex PCR conditions for Xcfd81 and STS_241 and Xcfd81 and Xgwm382 primer pairs, allowing the simultaneous identification of the Pm2 and Pm4b genes.

Oxide networks have diverse applications in the polymer and pharmaceutical industries. Polynomials and degree-based topological indices have tendencies to correlate properties of molecular graphs. In this article, we formulate the closed forms of Zagreb and forgotten polynomials and topological indices such as Hyper-Zagreb index, first and second multiple Zagreb indices, forgotten index, Albert index, Bell index, IRM(G) of oxide networks. We also compute the F-index of complement of oxide networks, F-coindex of G and F-coindex of complement of oxide networks. We put graphical analysis of each index with respect to the parameter involved in each case.

The identification of the fuel found in a crime scene and establishing its source is important for forensic investigations. In this study petrol and diesel samples were analysed in order to identify chemical composition and additives with the aim of obtaining a set of markers or compounds that will allow forensic scientists to identify fuel sources. The study was performed using petrol and diesel sold in the city of Lincoln (UK) during four seasons (winter, spring, summer, autumn).Diesel samples, representing eight different brands were analyzed by gas chromatography−mass spectrometry (GC−MS) and principal component analysis (PCA). From the GC–MS analytical results, MTBE and ETBE were identified as the additive more preferably added in super unleaded petrol samples that can be used to aid in separation and identification. In diesel, the distribution of FAME contents showed the effect of seasonal variation as these were found in all spring, summer and autumn samples, but not found in all winter ones. The selection of a reduced number of key fuel compounds and additives was also shown to be sufficient to achieve a high level of classification among the different fuel samples. Leave–one–out cross–validation was applied in order to validate the results.

The energy of a graph is defined as the sum of absolute values of the eigenvalues of its adjacency matrix. Let Ω( n ,4) be the class of all trees of order n and having 4 branched vertices. In this paper, the minimal energy tree in the class Ω( n ,4) is found.

Jatropha oil [JO] based poly (esteramide-urethane) coatings embedded with fumed silica nanoparticles were prepared. JO was converted to N,N-bis(2-hydroxy ethyl) JO fatty amide (HEJA) and was further modified by a tetrafunctional carboxylic acid( trans 1,2 diaminocyclo-hexane-N,N,N’,N’,-tetraacetic acid) to form poly (diamino cyclohexane esteramide) (PDCEA). PDCEA was then treated with toluene 2,4-diisocynate and fumed silica to prepare poly(diamino cyclohexane urethane esteramide) (PUDCEA) nanocomposite. The formation of PDCEA and PUDCEA nanocomposites was confirmed by FTIR, 1 H & 13 C NMR spectroscopic techniques. The thermal behavior and morphology of PUDCEA nanocomposite coatings were investigated by TGA/DTG, DSC, SEM, EDX spectroscopy. PUDCEA nanocomposites were applied on carbon steel and their coatings were produced at room temperature. The properties of these nanocomposite coatings were investigated by standard analytical methods. The PUDCEA-3 nanocomposite showed good anticorrosion and physico-mechanical performance. These naocomposite coatings can be employed safely upto 200oC.

Recently, increasing attention has been paid to The Optical Transpose Interconnection System (OTIS) network because of its prospective applications in architectures for parallel as well as distributed systems [27, 28]. Different interconnection networks in the context of topological indices are researched recently in [25, 26]. This article includes the computions of the general Randi´c, first and second Zagreb, general sum connectivity, first and second multiple zagreb, hyper zagreb, ABC and GA indices for OTIS (swapped and biswapped) networks by taking path and k -regular graph on n vertices as a base graphs. In addition, some delicated formulas are also obtained for the ABC 4 and GA 5 indices for the OTIS biswapped networks by considering basis graph as a path and k -regular graph of order n .

The efficiency of thermodynamic cycles can be improved by using the optimized working fluid. In the present paper, classic molecular dynamics simulations and grand canonical Monte Carlo were employed to examine the thermal energy storage characteristicsof R125/UIO-66 and R125/MOF-5 nanofluids. The results indicate that the adsorption of R125 in MOF-5 is larger than that in UIO-66. Also, the thermal energy storage capacity of R125 was strengthened by mixing with UIO-66 or MOF-5 nanoparticles. In addition, the R125/UIO-66 mixtures can store less energy than that of R125/MOF-5 mixtures except the temperature difference is 30 K to 50 K.

Velvet antler is the only renewable bone tissue of mammalian animals, which consists of a variety of growth factors, amino acids and polypeptides. But the mechanism of high-speed proliferation without carcinogenesis is still mystifying. The previous study of this work found that the velvet antler peptides (VAP) could not only inhibit the proliferation and migration of osteosarcoma cell lines MG-63 and U2OS, but also induced U2OS apoptosis and inhibited MG-63 epithelial-mesenchymal transition (EMT) through TGF-β and Notch pathways. These results lead us to conclude that VAP has the potential ability to mediate osteosarcoma cells by regulating related signaling pathways and growth factors. Therefore, finding a new appropriate inhibitor for OS is a valuable research direction, which will give patients a better chance to receive proper therapy. From an applied perspective, this review summarized the effects of velvet antler, genes, growth factors and research progress of relative pathways and genes of osteosarcoma, which are poised to help link regenerative molecular biology and regenerative medicine in osteosarcoma pathogenesis.

The current studies presented the green synthesis of zinc oxide and copper doped ZnO nanoparticles (NPs) using different ratios of Neem leaf extract and its antibacterial application on drug-resistant bacteria. The synthesized NPs were characterized using: X-ray diffractions (XRD), Fourier Transform Infrared Spectroscopy (FT-IR), Scanning Electron Microscope (SEM), UV–visible spectroscopy and a simultaneous DTA-TGA thermal analyzer. All the synthesized materials were stable above 400°C. The powder diffraction studies indicated the formation of phase pure materials with wurtzite structure for pure ZnO and 0.5%, 1%, 1.5% Cu doped ZnO with the crystallite size in the range of 16.07 – 23.74 nm. SEM analysis revealed the formation of spherical shaped NPs with large grain size for 10% (v/v) ratio of aqueous leave extract. The aqueous extract of neem act as capping agent and prevent the NPs from agglomeration. The spectral studies confirmed the formation of NPs with the absorbance peak that is different from the micro-size ZnO. The antibacterial activities of the synthesized materials ZnO (1:1) against Staphylococcus aureus and uncalcined ZnO (7:3) and (Zn 0.985 Cu 0.015 O) against Bacillus subtilis were enhanced when referenced to the standard gentamicin. Graphical Abstract

Sodium ion micro-solvated clusters, [Na(H 2 O) n ] + , n = 1–7, were completed by (DFT) density functional theory at B3LYP/6-311+G(d,p) level in the gaseous phase. At the ambient situation, the four, five and six micro-solvated configurations can convert from each other. The investigation of the sequential water binding energy on Na + obviously indicates that the influence of Na + on the neighboring water molecules goes beyond the first solvation layer with the hydration number of 5. The hydration number of Na + is 5 and the hydration space (r Na-O ) is 2.43 Å. The current study displays that all our simulations have an brilliant harmony with the diffraction result from X-ray scattering study. The vibration frequency of H 2 O solvent was also determined. This work is important for additional identification of the Na + (H 2 O) n clusters in aqueous medium.

Pesticides pose a serious public health risk due to their toxicity, such as in the case of the widely distributed organophosphorus pesticide methamidophos. There is a strong need to develop a simple, rapid, and cost-effective method of detecting methamidophos residues; thus, this study proposes the TCPO-Rubrene-H 2 O 2 chemiluminescence (CL) system as a means of pesticide detection via quenching effect. The results show that the methamidophos concentration is inversely proportional to the CL system's light output as confirmed through fluorescence spectroscopy and Batch Measure Macro (BMM) analysis. The light intensity differences were correlated with the methamidophos concentration with both methods showing linear trends. Both the digital camera and the smartphone camera BMM analyses displayed good sensitivity, with respective detection limits of 1.6 μg/mL and 1.0 μg/mL and respective quantitation limits of 5.0 μg/mL and 3.0 μg/mL. Both also showed good linearity within the 100-10000 μg/mL range, suggesting viability as alternatives to the fluorescence spectrometer; however, the light intensity difference values per pesticide concentration of both camera systems were significantly different from one another owing to differences in camera features.

Over the decades, there have been continuous efforts to enhance the quality of human life. Postmenopausal syndrome is a serious concern for the wellbeing of a woman's health. Hormonal therapy is currently the mainstay of treatment for this condition. However, this therapy could lead to estrogen abuse, leading to adverse reactions and side effects. As a result, hormonal therapy has been unsuccessful in ameliorating postmenopausal syndrome. Cistanche deserticola is a classical tonic herb in traditional Chinese medicine. It exhibits significant estrogenic activity. The main active compounds of this herb are glycosides. In a previous experiment, three important factors contributing to the total glycoside yield, acteoside yield, and estrogenic activity were identified, namely, eluent concentration, pH, and eluent volume. In this experiment, an optimal purification process was determined using a central composite design-response surface methodology to obtain glycosides from this herb. An eluent (ethanol) concentration of 85% and volume of 25 BV at a pH of 11 was found to be optimal. Twenty-one active compounds were identified by a high-performance liquid chromatography/ quadrupole time-of-flight mass spectrometry assay. This study provides valuable insights for further in-depth research evaluating the estrogenic activities of total glycosides of Cistanche deserticola .

Aedes aegypti is associated with the transmission of numerous human and animal diseases, such as yellow fever, dengue fever, chikungunya, and more recently Zika virus. Emerging insecticide resistance has created a need to develop new mosquitocidal agents for effective control operations. A series of benzothiazole-piperidine derivatives ( 1-24 ) were investigated for their larvicidal and adulticidal effects on Ae. aegypti It was observed that compounds 2 , 4 , 6 , 7 , 8 , 11 and 13 showed notable larvicidal activity. Furthermore, compounds 6 and 10 showed promising adulticidal activity. Based on the mosquitocidal properties of these compounds, docking studies were also carried out in the active site of the Ae SCP2 enzyme to explore any insights into further in vitro enzyme studies. Docking results indicated that all these active compounds showed reasonable interactions with critical residues in the active site of this enzyme. This outcome suggested that these compounds might show their larvicidal and adulticidal effects via the inhibition of Ae SCP2. According to in vitro and in silico studies, compounds 2 , 4 , 6 , 7 , 8 , 10 , 11 and 13 stand out as candidates for further studies.

In this study, Trapa bispinosa's peel (TBP) biomass is exploited as an effective, low cost and new adsorbent to remove Pb(II) from aqueous solution. TBP is pretreated and modified with HNO 3 , HClO 4 and H 2 O 2 to enhance the Pb(II) removal and it is perceived that chemical modifications enhance the adsorption capacity of TBP. The adsorption behavior of Pb(II) is studied under different conditions, including pH (3-6), TBP dose (0.050.8 g), stirring speed (100-200 rpm), initial Pb(II) ion concentration (25-400 mg L -1 ) and contact time (0-1440 min). Kinetic study reveals sorption is fast in first 15 to 30 min achieving equilibrium in 60 min with q max (mg g -1 ) are 77.09, 105.40 and 123.82 for NT-TBP, NA-TBP and HCA-TBP respectively. The Langmuir model successfully defines the sorption data having higher R 2 and good agreement between theoretical and experimental uptake capacity of Pb(II). The kinetic study exhibits that the pseudo-second order rate equation is better portrayed sorption process. TBP modified with HClO 4 shows the highest metal uptake in comparison to HNO 3 , H 2 O 2 modified TBP and native TBP.

On the basis of carbon tetrachloride (CCl 4 )induced liver fibrosis in rats, this study aims to investigate the dynamic changes in matrix metalloproteinase 1 (MMP1) and the tissue inhibitor of metalloproteinase 1 (TIMP1) in the antifibrotic process of Dahuang Zhechong Pill (DHZCP). A total of 50 male Sprague Dawley rats, aged 8 weeks, were randomly divided into 3 groups: the control group, the model group (the group treated with CCl 4 ), and the treatment group (the group treated with CCl 4 and DHZCP). Rats were sacrificed at Weeks 4 and 8. Liver tissues were separated for RNA sequencing and bioinformatics analysis. Real-time PCR, Western blot analysis, and histological staining were conducted to confirm the gene expression and pathological change in liver tissues. Compared with control group, rats in model group showed poor mental state and slow weight gain. The liver tissues of the rats in the model group exhibited a damaged hepatic lobule structure, fibrous connective tissue hyperplasia, and inflammatory cell infiltration among the hyperplastic tissues. DHZCP could significantly improve the appearance of rats and alleviate CCl 4 -induced fibrosis. Compared to model group, 798 differentially expressed mRNAs were found in the treatment group, of which 120 were up-regulated and 678 were down-regulated. Differentially expressed mRNAs between the CCl 4 -induced group and the DHZCP-treated group were mainly focused on the following KEGG pathways: focal adhesion, phagosome, tight junction, and ECM–receptor interactions. Relative to those in the control group, MMP1 was downregulated, whereas, TIMP1 and Col1A1 were upregulated in the CCl 4 -induced group at Weeks 4 and 8. DHZCP could reverse MMP1, TIMP1, and Col1A1 expression.DHZCP protects against liver injury and exerts an antifibrotic effect on liver fibrosis induced by CCl 4 in rats. Its mechanism may be related to the upregulation of MMP1, downregulation of TIMP1, and promotion of collagen degradation.

In this study, we introduce a method to formulate Ginkgolide B lipid microemulsion (GB-LM). We have assessed its general characteristics and pharmacokinetics in animals. Soybean oil (10.0%) and oleic acid (2.4%) were chosen as the oil phase, refined egg yolk lecithin (PC98T) (1.8%) as the surfactant, and glycerol (2.25%) as the co-surfactant. The optimized formulation process resulted in particles with average diameter of 185.9 ± 52.5 nm and the zeta potential of −19.8 ± 1.3 mV. The GB-LM remained steady for three months at room temperature. Giving each dose of 4 mg/kg to rats through the vein, a clearance rate of CL (L/h): 2.594 and C max (ng/mL) was achieved: 353.8 through pharmacokinetic analysis and statistical analysis. The AUC of GB-LM was about 1.57-fold higher than that of the products available in the market. In addition, brain tissue distribution studies show that after 0.5 h administration of GB, the concentration of GB in brain tissue can reach its maximum, and then significantly decrease after 2 hours. Therefore, the improved formulation of GB-LM shows encouraging results compared with present products in several features.

In this study we investigated the antineoplastic effects of Berberine (BBR)-mediated photodynamic therapy (PDT) on HeLa cells and its related mechanisms. The CCK-8 assay and flow cytometry were used to evaluate the proliferation and apoptosis of cells respectively. In addition, changes in protein expression levels were assessed using western blot. BBR at dose of 10 mg/kg was injected intraperitoneally to mice with tumors and PDT treatments were performed 24 hours later. In vivo imaging systems were used to evaluate the fluorescence of BBR. In vitro , PDT significantly enhanced the effects of BBR on inducing cell apoptosis and inhibiting proliferation. The in vivo results showed that the fluorescence intensity in the PDT group was decreased compared with that in the BBR group. Tumor weights and tumor size in the PDT group were less than those in the control group; however, when BBR was applied without PDT, no significant differences were observed between the BBR and control group. The results of western blot showed that PDT enhanced the inhibitory effects of BBR on the mammalian target of rapamycin (mTOR) signaling pathway, that may partly explain the potential underlying mechanisms.

The chiral separation of enantiomers is crucial for pharmacovigilance within drug discovery. Although a large number of prescribed medications are marketed as pure enantiomers, this is not always the case and many are in fact racemic mixtures. Drug scandals, such as that of Thalidomide in 1961, provide a clear example of the social and economic repercussions that can be caused by negligence of these chiral compounds. Two high performance liquid chromatography (HPLC) methods are presented to determine, separate and quantitate a commonly prescribed chiral beta blocker, (-)-Alprenolol. The first method utilises a chiral column to physically separate the two enantiomers of Alprenolol in 25 minutes, before quantitating with two detectors. Fluorimetry gave the better limit of detection of 0.16-0.41ng and a correlation coefficient of 0.999. The second method used an achiral column coupled with polarimetry to quantitate (-)-Alprenolol without the need for physical separation in 10 minutes. The limit of detection achieved was 27-37μg and demonstrated a correlation coefficient of -0.999.

In the present study 134 children were studied for comparison and correlation between an endemic fluorotic village Rukh Mudke (RM), n = 74 , and a non-fluorotic village Ottawa (OTW), n = 60 . The children were aged between 7-18 years and selected for the estimation of fluoride in their household water, body fluids (urine-serum), dental fluorosis and thyroid hormones (Free tri-iodothyronine (FT 3 ) free tetra iodothyronine (FT 4 ) and thyroid stimulating hormone (TSH) respectively . Mean concentration of water fluoride in subjects of RM was 4.6 ×10 6 ng/L, urine fluoride 2.59 ×10 6 ng/L, serum fluoride 6.0 ×10 4 and dental fluorosis 90.5% respectively. Significant elevation ( P = 0.000) in the concentration of three out of these four variables ( P < 0.01) was observed (except in serum fluoride) in subjects of RM compared to those in the control group (OTW). Mean FT 4 , FT 3 and TSH concentrations in RM subjects was 18.3 pmol/L, 5.06 pmol/L and 3.2 mlU/L respectively. No marked difference in FT 4 and FT 3 ( P = 0.17 and P = 0.7) was found compared to the control (OTW) group, while significant elevation in TSH ( P < 0.05) was found in. 22% of the children in the RM group, portrayed well defined thyroid hormonal aberrations. A negative correlation between water fluoride - FT 4 (r = - 0.24); a strong positive between water, urine, serum, dental fluorosis and TSH (r = 0.94, 0.87, 0.88, 0.74 and 0.8) and moderate correlation between water fluoride - FT 3 (r = 0.52) was observed. Results of this study indicate that the fluoride intoxication through drinking water is not only increasing fluoride level in body fluids and deteriorating teeth but also destroying thyroid function in a large number of children.

A one-step incubation ELISA kit based on monoclonal antibody against dibutyl phthalate (DBP) was developed. After optimizing concentrations of coating antigen, antibody and composition of the assay buffer, an inhibition curve was plotted. The IC 50 is 29.6 ng·mL -1 , and the detection limit for DBP is 3.6 ng·mL -1 . Compared with other ELISA methods, this ELISA kit had a simpler sample preparation, costed less time for detection and could detect more types of sample. The recoveries of DBP in water, beverage and liquor samples were range from 78% to 110.4%, the range of coefficient of variations is 7.7-15.3%. The cross reactivity was very low (&1%) except that for butyl benzyl phthalate (3.9%) and the di-isobutyl phthalate (12.5%). The detection results in liquor showed good correlation with those from GC-MS. All data above indicated that this kit could be used as the fast and high-throughput screening of DBP in water, beverage and liquor.

Essential oil from Eugenia caryophylata was normally used to heal many different deseaces. Various chemical compositions of essential oil distilled and steamed of Moluccas Eugenia caryophylata has been investigated by many different researchers. Even though an intensive research has been carried out of the local chemotypes, a very detail study has not been fully investigated to find out the complete chemical compounds from the plant essential oil and its content associated with their biological activities. In present paper, we assess the free radical scavenging of E. caryophylata collected from Moluccas islands, Indonesia. Essential oil was extracted from leaves, buds, and stems of plant by steam distillation and analyzed using GC-FID and GC-MS. The result showed that free radical activity of essential oil, main constituent and its derivatives were analized using in vitro method. Essential oil activity from stem obtained as (0.82±0.15 μg/mL) was higher than that from bud and leaf possessing both 1,1-diphenyl-2-picrylhydrazyl (DPPH) and (2,2’-azino-bis-3-ethylbenzthizoline-6-sulphonic acid (ABTS) radical scavenging assays by sinergism of eugenol, eugenyl acetate, β-caryophylene and humulene. The activity of isoeugenol ( 2 ) (3.59±0.54 μM) and (5.0±0.53 µM) scavenging DPPH and ABTS, respectively, as derivatives eugenol was higher than ( 3 ), ( 4 ) and ( 5 ). Although ( 6 ) was active originally, it was inactive after conversion of the ester. While the change of the double bond of location to conjungation structure caused more activity scavenging radicals than the starting molecule.

This study investigated the effects of blue and red light on metabolites of nitrate, key enzymes, and the gene expression of key enzymes in pakchoi plants ( Brassica campestris L. var. Suzhouqing). Plants were grown under three light quality treatments, namely, white light (W), red light (R) and blue light (B), at the same photosynthetic photon flux density (PPFD) of approximately 150 μmol m -2 s -1 for 48 hours of continuous illumination, and W was set as the control. The dynamics of net photosynthetic rate in pakchoi subjected to different light treatments were the same as the total chlorophyll contents: blue light > white light > red light. The nitrate reductase (NR) activity, nitrite reductase (NiR) activity, glutamine synthetase (GS) activity and glutamate synthase (GOGAT) activity were highest under blue light. Further, the expression levels of NR, NiR and GS genes were significantly higher under blue light. Under continuous illumination, the auxin content (IAA) in pakchoi leaves was highest under blue light, whereas the abscisic acid (ABA) content was highest under red light. In contrast, there was no significant effect for gibberellin (GA) under any type of light treatment.

Prolactinomas are the most frequently observed pituitary adenomas (PAs), and 5%–18% tumors were resistant to the dopamine agonists (DAs). MicroRNAs (miRNAs) dysfunction play a key role in tumorigenesis. Agilent miRNA and an expression chip were used for six prolactinomas and three normal pituitary specimens. Differentially expressed genes were confirmed by RT-qPCR. The level of DDR1 and SAT1 was determined with tissue micro-array (TMA) and western blot. A MMQ cell line was used for functional experiments. We have identified 5-miRNA and 12 target gene signatures of prolactinomas through gene ontology analysis. miRNA-199a-5p was selected for experiments that integrated the results from prolactinomas specimens and a rat prolactinoma model induced by 17-b-estradiol. Tumors with low miRNA-199a-5p had a significantly invasive behavior and a higher tumor volume (p<0.05). DDR1 and SAT1, target genes of miRNA-199a-5p, had higher H-scores in the invasive group than those of the non-invasive group through TMA. An overexpression of miRNA-119a-5p suppressed the PRL secretion and the cell viability through upregulated the apoptosis level in MMQ cells (p<0.01). Furthermore, we found the target genes expression of DDR1 and SAT1 were affected by miRNA-199a-5p regardless of mRNA levels or protein levels. This study provided evidence that downregulation of miRNA-199a-5p may contribute to prolactinoma tumorigenesis.

The primary purpose of this study was to investigate the efficiency of a Compound Parabolic Concentrator (CPC) equipped with a sun tracking system in the photolysis of carbamazepine as a refractory organic compound. The natural sunlight experiments were accomplished during the period May–July 2017 in Tehran, Iran. The intermediate by-products of the process of solar photodegradation of carbamazepine (CBZ) were characterized using LC–MS. The results showed that increasing the reactor temperature did not significantly change CBZ degradation efficiency. However, the solution pH played a comparatively important role in CBZ solar photo degradation: removal efficiency increased considerably with pH from about 49% at pH 7 to almost 61% at pH 9. According to our findings, using a CPC reactor equipped with a sun tracker system promotes the solar photo-transformation rate of CBZ by 2-3 fold. In addition, LC/MS analysis showed that eight main intermediates were formed in the treated solution after solar photodegradation of CBZ. Therefore, complete mineralization of CBZ was not accomplished.

Plant essential oils have bacteriostatic activity in very low concentrations, thus they can be used as natural preservative in food products. The aim of this work was to understand the inhibitory and non-bactericidal effects of essential oils in low concentrations. To meet this aim some physical and biochemical properties of two P. orientalis strains isolated from food probes were investigated under the influence of plant oils. Control probes - without oils - played an important role in our investigations because P. orientalis is not a well-known and described species. Thus, these results allow us to gain additional knowledge about bacteria from P. orientalis species. The obtained results are proof that under the influence of oils, bacteria lose their ability to move, change their morphology, and also reduce their metabolic activity. However, they do not die, and properties such as the ability to produce ammonia, the ability to production of indole from the amino acid tryptophan as well as the ability to assimilation of saccharides are maintained.

This study describes synthesis, spectroscopic characterization and catalytic activities of Fe(II), Ru(II), Pd(II) and Zn(II) complexes with a novel Schiff base ligand (L) derived from methyl 2-amino-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and terephthalaldehyde. We used spectroscopic techniques including IR, UV-Vis, 1 H-NMR, 13 C-NMR, elemental analysis and also mass analysis and magnetic susceptibility measurements to identify the products. The Pd(II) complex was used as a potential catalyst for Suzuki-Miyaura coupling reaction of some aryl halides under optimized conditions. The effect of various bases such as NaOH, KOH, and KOBu t was investigated in transfer hydrogenation (TH) of ketones by isopropyl alcohol as the hydrogen source. Ru(II) and Pd(II) complexes showed catalytic activity while Zn(II) and Fe(II) metal complexes failed to do that. Graphical Abstract

The azo dye 4-(2-thiazolylazo)orcinol (TAO) and the cationic ion-pair reagent 2,3,5-triphenyl-2 H -tetrazolium chloride (TTC) were examined as constituents of a water-chloroform extraction-chromogenic system for vanadium(IV). The effects of TAO concentration, TTC concentration, pH and extraction time were examined. Under the optimum conditions the extracted complex has a composition of 1:2:1 (V:TAO:TTC). The absorption maximum, molar absorptivity and constant of extraction were determined to be λ max =544 nm, ε 544 =1.75×10 4 dm 3 mol –1 cm –1 and Log K ex =4.1. The ground state equilibrium geometries of the possible monoanionic V IV -TAO 1:2 species were optimized by the HF method using 3-21G* basis functions. Their theoretical time dependent electronic spectra were simulated and compared with the experimental spectrum. The best fit was obtained for the structure in which one of the TAO ligands is tridentate, but the other is monodentate (bound to V IV through the oxygen which is in the ortho-position to the azo group) and forms a hydrogen bond N–H...O=V through its protonated heterocyclic nitrogen. Based on this unusual structure, which can explain some peculiarities of the complex formation between V IV and commonly used azo dyes, the ground state equilibrium geometry of the whole ternary 1:2:1 complex was computed at the HF and BLYP levels.

Phosphorus containing steroidal derivatives such as 3β-oxo-[diazaphosphalidine-2’-one] stigmast-5-ene and 3β-oxo-[diazaphosphalidine-2’-one] stigmast-5,22-diene were designed, synthesized and characterized using spectroscopic techniques (IR, 1 H, 13 C & 31 P NMR, HRMS) and elemental analysis. The fungicidal and herbicidal studies of the compounds were performed and the experimental outcomes showed that compound 4 showed a good fungicidal activity against mycelium growth of fungi, while in the case of herbicidal activity, both compounds show a moderate activity compared to the commercial drug; Atrazine. The binding free energy of active compound 4 to the receptor named 4-Hydroxyphenylpyruvate dioxygenase (HPPD) was calculated using the molecular docking study. The HPPD is one of the most effective targets of plants for the herbicide study.

The chemical composition and antitumor activity of essential oil were compared for four parts of the Arisaema Amuremse Maxim. Chemical constituent of essential oil in every parts of Arisaema Amuremse Maxim was identified by GC-MS analysis systematically. Arisaema Amuremse Maxim had 114 kinds of essential oils. Tubers, petioles, leaves, and fruits were identified 53, 48, 5 and 21 species essential oil, respectively. The antiproliferative activity against Hep2, HCT-116, A549, SW480, HepG2 cell lines had been investigated by MTT assay. The essential oil of tubers, petioles, leaves and fruits all had strong antiproliferative activity. The IC 50 was 19.60μg·mL -1 , 17.60μg·mL -1 , 23.80μg·mL -1 , and 30.23μg·mL -1 , respectively. Among them, the essential oil of tubers and petioles had stronger antitumor activity. The essential oil of tubers, petioles, leaves and fruits had strong antiproliferative activity. This study was of great significance to increase the medicinal parts of Arisaema Amuremse Maxim.

Twenty surface soil samples (0-10 cm) and shoots of a perennial shrub Zygophyllum coccineum L. were collected around a cement factory on the western coast of Saudi Arabia, in order to assess concentrations of some heavy metals (Cr, Cu, Ni, Pb and Zn). The most noticeable among all heavy metals was Pb that showed an average concentration of 460.15±86.60 μg g -1 followed by Cr (138.67±30.89 μg g -1 ), Zn (54.41±43.79 μg g -1 ), Ni (41.22±12.60 μg g -1 ) and Cu (33.48±12.52 μg g -1 ). Based on biological concentration factor analysis, Z. coccineum can be considered as an accumulator only for zinc (BCF >1). Estimation of various ecological contamination factors revealed the significant impact of Pb in the environmental pollution in the region. It is also understood that the primary contribution to the ecological risk index (RI) mainly originated from various anthropogenic influences such as industrialization and urbanization. The different statistical analysis further revealed the potential effect of soil characteristics on the occurrence and dispersal of heavy metals in the study area.

In this research, we investigated possible anti-inflammatory roles of Prunus tomentosa Thunb Total Flavones (PTTTF) in LPS-induced RAW264.7 cells. PTTTF (4μg/ml and 40μg/ml) was applied to RAW264.7 cells induced with 1μg/ml LPS to test the impact of these flavones on neutrophil phagocytosis in vitro. Levels of prostaglandin E2 (PGE 2 ) and two pro-inflammatory interleukin cytokines (i.e. IL-6 and IL-1β) in the supernatant fraction were tested via Enzyme-linked immunosorbent assays (ELISA). Expression of cyclooxygenases COX-1 and COX-2 was detected via RT-PCR. Superoxide dismutase (SOD) content was determined with a spectrophotometric assay (Micromethod). The results revealed that PTTTF at doses higher than 4μg/ml reduces the content of IL-6, IL-1β and PGE 2 ( P < 0.05), and elevates the activity of SOD in LPS-induced RAW264.7 cells significantly ( P < 0.05). PTTTF at 40μg/ml showed no significant effect on the expression of COX-1( P >0.05) but resulted in a significant inhibition of COX-2 in LPS-induced RAW264.7 cells ( P <0.05). In summary, PTTTF had a substantial potential anti-inflammatory effect through the alteration of the synthesis of some cytokines and other mediators of the process of inflammation. Novelty statement - Prunus tomentosa Thunb Total Flavones (PTTTF) have known roles in the treatment of diabetes, but here we show that they are also potential anti-inflammatory agents. Our results show that PTTTF exhibited anti-inflammatory effects through altering the synthesis of some cytokines and other mediators of the inflammatory process.

An experiment with OTC (Open-top Chamber) was conducted to study the influence of elevated CO 2 concentration and high temperature on potato yields and quality, particularly the collaborative influence of these two factors on the accumulation of aboveground biomass (leaves, petiole, and stem), and underground biomass (root and tuber) in potato, and the influence on potato characteristics. The results showed that the accumulation of dry weight of potato stem and aboveground biomass under the combined treatment of elevated CO 2 concentration and high temperature (warming) was significantly higher than that of the control group by 35.8%-53.4% and significantly higher than that of the warming treatment group by 24.4%34.4%. In terms of potato stem and aboveground biomass in the combined treatment group, the occurrence time of peak accumulation was postponed, but the accumulation velocity was increased; the interval days of fast biomass accumulation was prolonged than the warming treatment group and the control group. In this combined treatment experiments, the fresh weight accumulation of potato tuber was lower than the warming treatment group by 5% during the middle stage of tuber formation. But the fresh weight accumulation in the combined treatment was higher than the warming treatment group and the control group during the rest stages of tuber formation: the tuber fresh weight in the mature stage was higher than the warming treatment group and control group by 24.1%, and 3.4%, respectively. In terms of tuber fresh weight in the combined treatment group, the occurrence time of peak accumulation was postponed; the interval days of fast accumulation was prolonged compare to the warming treatment, but close to the control group.

In this paper, the current state-of-art of extraction of alginates and the determination of their physico-chemical properties as well as their overall applications focussing on biomedical purposes has been presented. The quality and quantity of the alginate obtained with a variable yield prepared from brown seaweeds as a result of many factors, such as type of algae, extraction methods, chemical modification and others. Alginates are mainly extracted by using conventional alkaline extraction. However, novel extraction techniques such as microwave and ultrasound assisted extractions have gained a lot of interest. The extraction parameters (e.g., temperature and time of extraction) have critical impact on the alginate physiochemical and mechanical properties and thus, their potential applications. By controlling a chemical process makes it possible get various forms of alginates, such as fibres, films, hydrogels or foams. It is important to characterise the obtained alginates in order to their proper applications. This article presents several techniques used for the analysis of alginate properties. These natural polysaccharides are widely used in the commercial production, as a food ingredient, in the pharmaceutical industry due to their antibacterial, anticancer and probiotic properties. Their gelling characteristic and absorbable properties enable using alginates as a wound management material. Moreover, they are also biocompatible, non-toxic and biodegradable, therefore adequate in other biomedical applications.

Liposomes are nanocapsules successfully applied in pharmacy and medicine. Their usage in the food industry could be increased by the development of alternative, cost-efficient lecithin materials. This work is a continuation of the previous two papers describing five different extractions of egg yolk lecithins and the preassessment of their usefulness for liposome formation. Physicochemical properties of extracts differed due to distinct composition. The aim of this research was to further characterise the extracts-based liposomes, especially in terms of nanomechanical properties and structural diversity. Five previously described extracts were used for liposomes preparation employing Bangham technique. Vesicles were analysed with the use of dynamic light scattering, flow cytometry, and atomic force microscopy. The results were tested for correlation with the composition of the extracts. It was proved that the chemical composition of the shell-forming material determined the size, structure, stability, and mechanical properties of the vesicles. The observed effects were found to result not only from differences in the content of major components, i.e. phospholipids, acylglycerols, and cholesterol, but also in the relative proportions. Minor constituents, i.e. tocopherols and carotenoids, were also found to be of significance. Strong correlations between size and Zeta potential of the vesicles with the content of carotenoids were determined. Graphical Abstract

The ZnO/Ag/cellulose composite (ZAC) with excellent photocatalytic activity of degrading benzene and phenol in VOCs has been successfully synthesized. EDS, TEM, XPS and UV-vis analyses show that the ZAC is a ternary composite. It is composed of Ag, ZnO and cellulose, where the cellulose works as the substrate to anchor the other two components. The X-ray diffraction patterns find well-crystallized ZnO nanoparticles. Multiple PL peaks in the visible region measured for ZAC, imply rich defects on ZnO. It is observed that Ag nanoparticles are mainly attached on ZnO in the composite, which would raise the separation efficiency of photogenerated electrons and holes. Photocatalytic degradation shows that ZAC is able to decompose almost 100% phenol and 19% benzene in VOCs under UV light irradiation (6 W) which is almost no harm to human body. Due to the renewable cellulose, our ternary composite ZAC imparts low-cost, easily recycled and flexible merits, which might be applied in the indoor VOCs treatment.

Increasing the degree of glycation in diabetes could affect the ability of plasma proteins in binding to small molecules and active compounds. In this study, the influence of glycation of Human serum albumin (HSA) on the binding affinities for six dietary flavonoids was investigated by fluorescence spectra. Glycated HSA was prepared through incubation with glucose and characterized by several methods to confirm the glycation. It was found that the level of glycation increased with the increasing incubation time. The glycation of HSA increased the binding affinities for flavonoids by 1.40 to 48.42 times, which indicates that modifications caused by the glycation may have different influences on the interactions of flavonoids with HSA at separate binding sites on this protein. These results are valuable for understanding the influence of diabetes on the metabolism of flavonoids and other bioactive small molecules in human body. Graphical Abstract

A series of 2-methylthio-pyrido-triazolopyrimidines ( 1 - 17 ) were prepared by the reaction of dimethyl- N -cyanoimidodithiocarbonate with hydrazinopyridine carboxylic acid as starting reactants. Their chemical structures were affirmed with HREI-MS, IR and NMR analyses. The target compounds ( 1 - 17 ) were evaluated for their antioxidant activity using 1,1-diphenyl-2-picryl hydrazyl (DPPH) radical scavenging, ferric reduction antioxidant power (FRAP) and reducing power capability (RPC). The results revealed that some pyrido-triazolopyrimidines showed good activity as antioxidant agents, in particular, compounds 12 and 15 were found to possess good antioxidant activity. Butylated hydroxyl toluene (BHT) was used as reference drug.

Flower teas are widely consumed across the world because of their beneficial health effects. The antioxidant activities of methanol extracts from ten common flower teas in China were evaluated using four antioxidant assays. The total phenolic (TPCs) and total flavonoid contents (TFCs) were also investigated. Most of these flower teas exhibited potent antioxidant effects, of which rosae rugosae flos exerted the strongest antioxidant effects in four assays. Rosae rugosae flos also exerted the highest TPC, while fragrans showed the highest TFC. Correction analysis indicated that phenolics play a key role in the antioxidant effect of flower teas, while flavonoids were poorly correlated with antioxidant activity. The results supported the consumption of flower teas as functional foods and their application as sources of natural antioxidants in the food industry.

A numeric quantity that comprehend characteristics of molecular graph Γ of chemical compound is known as topological index. This number is, in fact, invariant with respect to symmetry properties of molecular graph Γ . Many researchers have established, after diverse studies, a parallel between the physico chemical properties like boiling point, stability, similarity, chirality and melting point of chemical species and corresponding chemical graph. These descriptors defined on chemical graphs are extremely helpful for researchers to conduct regression model like QSAR/QSPR and better understand the physical features, complexity of molecules, chemical and biological properties of underlying compound. In this paper, several structure descriptors of vital importance, namely, first, second, modified and augmented Zagreb indices, inverse and general Randic indices, symmetric division, harmonic, inverse sum and forgotten indices of Hex-derived Meshes (networks) of two kinds, namely, HDN 1( n ) and HDN 2( n ) are computed and recovered using general approach of topological polynomials.

The nano aggregates of cobalt oxide (Co 3 O 4 ) are synthesized successfully by adopting simple a co precipitation approach. The product obtained was further subjected to the calcination process that not only changed it morphology but also reduces the size of individual particles of aggregates. The prepared nano aggregates are subjected to different characterization techniques such as electron microscopies (scanning electron microscopy and transmission electron microscopy) and X-ray diffraction and results obtained by these instruments are analyzed by different software. The characterization results show that, although the arrangement of particles is compact, several intrinsic spaces and small holes/ pores can also be seen in any aggregate of the product. The as synthesized product is further tested for catalytic properties in thermal decomposition of ammonium perchlorate and proved to be an efficient catalyst. Graphical Abstract

Cystic Echinococossis is a serious zoonotic parasitic infection caused by Echinococcus granulosus species complex. The current study was designed to evaluate the in-vitro antiprotoscolices effect of alcoholic extracts of three selected medicinal plants including Buxus Wallichiana , Berberis vulgaris and Euphorbia heliscopia against Echinococcus granulosus . Fertile hydatid cysts were collected from livestock and viability of the protoscolices was confirmed by 0.1% eosin red stain method. Protoscolices were subjected to three different concentrations of alcoholic extracts (10mg/ml, 30mg/ ml and 50mg/ml) for 10, 20 and 30 min. The highest efficacy was shown by B. vulgaris (97.92%) followed by B. wallichiana (65.98%) and E. heliscopia (61.22%) respectively, after exposure of 30 minutes at 50mg/ml concentration, that lead to the significant reduction in the viability of protoscolices. Alkaloids, flavonoids, tannins and saponnins were identified qualitatively and weighted quantitatively, that might help in the identification of bioactive compounds involved in selective action on the tegument layer of protoscolices. Alcoholic extracts of all the three selected medicinal plants showed toxic activities against protoscolices of Echinococcus granulosus . These findings suggest that all the selected medicinal plants could be a promising source of potent antiprotoscolices effect. However, the mechanism by which plant extracts killed protoscolices and also their safety for living cells are unclear and need to be investigated further.

A new type of silver nanoparticle (AgNPs) was prepared with simple and fast methods and low-toxic compounds. With the addition of different concentrations of AgNPs, the effects of AgNPs on the fluorescence properties of three different kinds of fluoroquinolones (enrofloxacin ENR, lomefloxacin LMF and norfloxacin NOR) in water solutions were studied, respectively. The experimental results demonstrated that the fluorescence intensity for each of the fluoroquinolones (FQ)was firstly enhanced and then quenched with the increased concentration of AgNPs in water solutions. The possible mechanisms about the AgNPs on the fluorescence behaviors of each FQ were also investigated, respectively. In addition, new silver enhanced nanoparticles materials fluorescence methods were established for the separate determination of ENR, LMF and NOR in water solutions. As compared with the identical control fluorimetric methods with no addition of AgNPs, the new enhanced fluorimetic methods were also investigated, respectively. The experimental results indicated that the new enhanced methods could detect lower concentrations of ENR, LMF and NOR in water solutions. Moreover, the newly enhanced fluorimetric methods were validated and successfully applied for the quantitative assay of ENR, LMF and NOR in different kinds of medicinal preparations, respectively. Graphical Abstract

A gas chromatography-mass spectrometry (GC-MS) method for simultaneous quantification of 3-fluoromethcathinone (3-FMC), (±)-3-fluorophenmetrazine (3-FPM), 4-chloroethcathinone (4-CEC) and 4-Bromomethcathinone (4-BMC) in human blood with (±)-methcathinone-D3 as internal standard has been developed and validated. Whole blood samples were treated with 10% trichloroacetic acid for protein precipitation before solid phase extraction. The method was selective, the calibration curves showed linearity for all substances with R2 ranging from 0.991 to 0.998 in the range 5-1.000 ng/mL. Analysis of blank samples showed no-sign of carryover. Precision and accuracy were acceptable with values less than 20% (RSD) and ± 20% (Bias). The limit of quantification (LOQ) for all substances was 5ng/mL. Intra-day and inter-day precision were 2.111.7% and 1.3 -10.2% respectively and accuracy biases were between -10.6-19.6% % (intra-day) and 11-12.1% (inter-day). The extraction efficiencies were 85.4, 82.8, 79.1 and 74.9% for 3-FMC, 3-FPM, 4-CEC and 4-BMC respectively. A robust and reliable simultaneous quantification method using gas chromatography-mass spectrometry in selected ion monitoring mode (GC-MS-SIM) is reported.

The fatty acid methyl ester (FAME) production from Chlorella vulgaris has been studied by sequential investigation such as microalgae culturing, lipid extraction, and lipid conversion to FAME. The C. vulgaris could grow well in the BG-11 medium and had a doubling time 3.7 days for its growth using inocula 16% (v/v). The optimum of dry cell biomass as 11.6 g/L was obtained after the microalgae culture harvested for 6 days. Lipid extraction from the biomass was carried out in various solvents and ultrasonication power, resulted lipid as 31% (w/w) when extracted with a mixed solvent of n-hexane-ethanol in ratio 1:1 and ultrasonication treatment at power 25 kHz/270W for 30 min. The lipid then converted to FAME through transesterification reaction with methanol using H 2 SO 4 catalyst at 45ºC for 2 h, and resulted FAME with area 32.26% in GC-MS analysis. The area was corresponded to FAME output as 13.68% (w/w). Fatty acid profiles of FAME obtained from GC-MS analysis showed the major peaks of fatty acids found in Chlorella vulgaris were palmitic acid (C16:0), stearic acid (C18:0) and margaric acid (C17:0), and nonadecanoic acid (C19:0). Optimization of the transesterification reaction will be developed in future to improve the FAME product.

Polystyrene (PS)/ polyvinyl chloride (PVC) blends of different compositions, with and without organoclay (OC) were prepared by a solution casting method. PS and PVC were combined in ratios of 100/0, 90/10, 10/90, and 0/100. Local clay was treated with 0.5M NaCl to generate sodium clay (Na-clay). The Na-clay was subsequently modified using the cationic surfactant, cetylpyridinium chloride (CPC), at a concentration of 0.5 times that of Na-clay. The CPC-modified clay was denoted as organoclay (OC). The organoclay was dispersed in PS/PVC blends (90/10 and 10/90) with different weight percentages of OC (0%, 1%, 5%, and 10%). To evaluate the miscibility of PS/PVC blends, the blends with and without OC were characterized using Fourier-transform infrared (FTIR) spectroscopy, differential scanning calorimetry (DSC), X-ray diffraction (XRD), and scanning and transmission electron microscopy (SEM and TEM). The addition of OC to the PS/PVC blends produced exfoliated nanocomposites, as proven by XRD. The SEM and TEM micrographs showed that the PS/PVC(10/90) blend components were more miscible than those of the PS/PVC(90/10) blend, leading to favorable morphology.

The titled compound 1,4-diazacycloheptane have vibrational freedom which allows it to coordinate to metal through 1 st and 4 th positions. Copper (II) and Nickel (II) complexes of DACH were prepared and characterized through UV-Visible, FT-IR, elemental analyses, conductance, and magnetic susceptibilities and compared to the results published in Inorg. Chem ., 8(3), 528 (1969). The prepared complexes bearing different coordinating or non-coordinating anions were screened against four different pathogenic bacterial strains to study anionic effect on antibacterial activity. The MIC values of all the compounds suggest that [Cu(DACH) 2 Br 2 ] is almost inactive against the tested microbes except Staph aureus . Rest of the metal complexes are active at their respective MIC values.

A series of new 2-phenyl-7-methyl-1,8-naphthyridine derivatives with variable substituents at C3 were synthesized for an in vitro evaluation of their anticancer activity against human breast cancer cell line (MCF7). On one hand, compounds 3f , 6f , 8c , and 10b showed IC 50 values (6.53, 7.88, 7.89, 7.79 μM, respectively) compared to that of the mentioned drug staurosparine (IC 50 = 4.51 μM). On the other hand, derivatives 10c , 8d , 4d , 10f and 8b displayed better activity than staurosporin with IC 50 values (1.47, 1.62, 1.68, 2.30, 3.19 μM, respectively).

In this study, stress corrosion behaviors of AZ31, AZ61 and AZ91 Mg alloys which contain different amounts of Al were investigated under acidic, basic and neutral environments having chloride ions using Slow Strain Rate Test (SSRT) method. Stress corrosion indexes (I SCC ), ultimate tensile strength (UTS) and elongation of AZ31, AZ61, and AZ91 Mg alloys were determined and compared. Slow strain rate test showed that three Mg alloys in basic environments were the least stress corrosion susceptible, while the most stress corrosion susceptible occurred in acidic environments. Also, it has been shown that the stress corrosion indexes of AZ91 Mg alloys are less than AZ31 and AZ61 Mg alloys in all environments. UTS and elongation of AZ61 Mg alloys were higher than those of AZ31 and AZ91 in all media. The fracture of surface images also examined in the scanning electron microscope (SEM) and both intergranular stress corrosion cracking (IGSCC) and transgranular stress corrosion cracking (TGSCC) were observed in all three alloys.

Various combinations of zinc borate (ZB), alumina trihydrate (ATH) and magnesium hydroxide (MH) were used to retard the flammability of PVC composite. Flame retardancy of samples were investigated with limiting oxygen index (LOI) test. Further testing was achieved to expose the individual and synergistic effects of flame retardant additives on heat stability, Vicat softening temperature, fusion time, microstructure, mechanical and thermal characteristics. Microstructural and thermal analyses were performed by scanning electron microscopy and TG/DTA respectively. The LOI results showed that, high levels of ZB-ATH combination provided the highest LOI value of 53.4%. Although ZB and its combinations improved the fire performances of composites, they caused a small reduction at tensile strengths. When compared with plain PVC, flame retardant composites had better thermal stability. In addition to the advantages of ZB, when test results were evaluated with a holistic approach ZB-ATH-MH combination was understood to be an effective flame retardant alternative with this research.

The rye flour is, together with the wheat flour, the basic ingredient used in traditional bread baking. The rye grain contains many compounds with significant impacts on the consumer. Considering that, various biologically active phytochemicals were determined in extracts from mature grains of 19 rye genotypes ( Secale cereale L.). The content of total phenols, flavonoids, phenolic acids and thiols, as well as antioxidant activities and inhibitory activities against trypsin, thrombin, and urokinase were analyzed by spectrophotometric methods. The vanillic acid, vanillin, p -coumaric acid, and t -ferulic acid were analyzed in particular by high performance liquid chromatography (HPLC). The observed differences in the amounts and activities between rye genotypes reflected variations in their genetic background. Rye grain is a remarkable source of specific phytochemicals. Genetic diversity in rye makes it possible to identify individual genotypes that have a unique content and biological activity of compounds deposited in mature grains. One subgroup of rye genotypes had higher values of antioxidant properties and concentrations of polyphenols. Other sub-group had higher proteinase inhibitory activities and contents of polyphenols. The third sub-group contained as though the universal genotypes, i.e. genotypes with average values in nearly all the measured parameters.

In the context of environmental protection, where there is a need to develop effective operations for carrying out appropriate treatment of polluted water by pharmaceuticals. Therefore, the present study aims at evaluating the degradation for gentamicin through electro-Fenton (EF) operation, through taking into consideration the effect of several parameters of experimental in the process, namely, the concentration of initial gentamicin, the applied current and the Fe +2 (II) quantities. The (EF) operation employed involves a carbon-felt as cathode and platinum as anode at pH 3. Studies for the gentamicin kinetics is monitored by HPLC giving a pseudo-first order reaction following by a chemical oxygen demand, with a reached degree of mineralization 96% after of four hours of treatment through current 100 mA/cm 2 with 0.1 mM of Fe +2 . We find that the degradation for molecule of gentamicin is accompanied by an augmentation of the biodegradability, assesse through the Biochemical Oxygen Demand (BOD5) on chemical oxygen demand (COD) ratio, that augmentation from 0 to 0.41 before treatment after 30 min for EF treatment, showing that there is potential for conjugation of the EF process and the biological process. Furthermore, the by-products have been identified on the basis of HPLC-MS/MS results.

Strain C was isolated from chicken manure, and its phenotypic characteristics were gram-stain negative, yellow-pigmented, aerobic bacterium, heterotrophic, non-motile, chemoorganotrophic, non-gliding as well as non-spore-forming. A 16S rRNA gene sequence analysis showed that strain C occupied a distinct lineage within the family of the genus Chryseobacterium , and it shared highest sequence similarity with Chryseobacterium solincola strain 1YB-R12 (80%). The new isolate has been studied for removing ammonium-nitrogen (NH 4 -N) and the optimization of suitable conditions. The strain C was able to degrade over 42.8% of NH 4 -N during its active growth cycle. Experimental study of the effect of temperature and pH on NH 4 -N removal showed that the temperature and pH optima for NH 4 -N removal were 30–35℃ and 4–8, respectively. The results indicated that strain C shows a potential application for wastewater treatment.

The medicinal plant Haloxylon salicornicum is utilized for therapeutic purposes. We previously reported the antioxidant potential of hexane fraction and methanol extracts of the same species. However, since these solvents could be clinically toxic, the current findings investigated the pharmacological effects of the water fraction. The pain relieving, antioxidant, anti-inflammatory, and antipyretic potential of H. salicornicum water extract (HEW) were studied at two concentrations (250 and 500 mg/kg) in rodents. The carrageenan stimulated rat paw edema assay was exercised to assess anti inflammatory potential in rats; yeast-stimulated hyperthermia was utilized to test antipyretic activity in mice; analgesic properties were assessed based on acetic acid-induced writhing, tail flicking, and hot-plate test; and antioxidant potential was examined with the 2,2-diphenyl-1-picrylhydrazyl assay. We found that 500 mg/kg HEW inhibited edema by 44.03%. Yeast-induced hyperthermia in mice was reduced by 250 and 500 mg/kg HEW after 30, 60, and 120 min with significant level of (P < 0.001) compared to rectal temperature of yeast administered group. The high dose of HEW (500 mg/kg) improved the reaction time of mice in the hot-plate test from 6.66 ± 0.33 to 11.33 ± 0.49 s after 120 min. In the acetic acid-stimulated writhing test, 250 and 500 mg/kg HEW decreased writhing by 32.71% and 51.40%, respectively, after 20 min. HEW also showed antioxidant effects. These results demonstrate that HEW is bioactive and has therapeutic potential for treating a variety of ailments.

The effect of Satureja montana L . extract (SM) and phenolic fraction of Satureja montana L. (PF) on the corrosion behaviour of iron in 0.1 mol L -1 sodium chloride solution was studied by electrochemical techniques, UV/Vis spectrophotometry and atomic absorption spectrometry. The results of all techniques showed that SM and PF contributed to iron corrosion inhibition. The calculated inhibition efficiency values were about 45% for SM and 55% for PF. Results indicate that the inhibitive action occurs via a precipitation of the Fe-complex onto the iron surface which resulting in a decrease of the passive current density. The atomic absorption spectrometry (AAS) method was applied to the quantitative determination of iron in solution. The obtained results demonstrated good agreement with results obtained by electrochemical techniques.

Objective This study aimed to compare the plasma levels of lipoprotein-associated phospholipase A2 (Lp-PLA2), hemopexin (Hpx), and interleukin-4 (IL-4) in patients with carotid artery atherosclerosis based on neurological symptoms and plaque histopathology and to find association between plaque stability and neurological symptoms. This single-center study included patients treated surgically for significant stenosis of the internal carotid artery. Serum levels of biomarkers were determined, and a histopathological analysis of the carotid plaques was performed. Within 70 patients, 40 asymptomatic and 30 symptomatic; 38 patients (54.3%) were diagnosed with unstable carotid plaque and 32 patients (45.7%) had a stable carotid plaque. Significantly higher incidence of unstable carotid plaque was detected in symptomatic patients (p <0.001). Compared to asymptomatic patients, higher expression of Lp-PLA2 (285.30 ± 2.05 μg/l), Hpx (0.38 ± 0.01 ng/l), and IL-4 (65.77 ± 3.78 ng/l) in plasma were detected in symptomatic patients. Subsequently, higher expression of Lp-PLA2 (297.34 ± 2.3 μg/l), Hpx (0.41 ± 0.02 ng/l), and IL-4 (64.74 ± 4.47 ng/l) in plasma was observed in patients with unstable plaques (n=38). Statistically significant (p <0.001) differences in expression of Lp-PLA2, Hpx, and IL-4 between patients with unstable and stable plaques were detected. Moreover, only the differences between symptomatic and asymptomatic patients in the expression of Lp-PLA2 and IL-4 in plasma were statistically significant (p <0.001). This study showed that Lp-PLA2, IL-4, and Hpx levels are significantly increased in patients with an unstable carotid plaque.

The crystal structures of the title compound, C 27 H 26 ClN 3 O 2 , were established by single-crystal X-ray diffraction and synchrotron radiation X-ray powder diffraction. The simulated annealing approach and rigid-body Rietveld refinement were applied to the structure solution from powder data. Direct methods and full-matrix least-squares techniques were used to solve and refine the crystal structure from single-crystal data. The title compound crystallized in space group P 1¯$\bar{1}$ with lattice parameters a=17.396(7) Å, b= 10.010(4) Å, c=6.833(3) Å, α=77.345(12) °, β= 93.534(6) °, γ=97.210(9) °, unit-cell volume V= 1151.0(2) Å 3 , Z=2 from powder data, and in space group P 1¯$\bar{1}$with lattice parameters α=82.485(2) °, β= 86.5110(10) °, γ=77.518(2) °, a=6.8159(6) Å, b= 10.0003(9) Å, c=17.4140(15) Å, unit-cell volume V =1148.3(2) Å 3 , Z=2 from single-crystal data. No detectable impurities were observed.

The chemical structures and molecular reactivities of the Amatoxin group of fungi-derived peptides have been determined by means of the consideration of a model chemistry that has been previously validated as well-behaved for our purposes. The reactivity descriptors were calculated on the basis of a methodological framework built around the concepts that are the outcome of the so called Conceptual Density Functional Theory (CDFT). This procedure in connection with the different Fukui functions allowed to identify the chemically active regions within the molecules. By considering a simple protocol designed by our research group for the estimation of the pKa of peptides through the information coming from the chemical hardness, these property has been established for the different molecular systems explored in this research. The information reported through this work could be of interest for medicinal chemistry researchers in using this knowledge for the design of new medicines based on the studied peptides or as a help for the understanding of the toxicity mechanisms exerted by them.

Milk products with aflatoxin M1 (AFM1) contamination are a lethal dilemma worldwide due to their carcinogenic and mutagenic effects especially in developing countries. This study investigated the occurrence of AFM1 in milk-based mithae samples marketed in Lahore, Pakistan. Two hundred ( n = 200) different types of mithae samples were analyzed for AFM1 using a HPLC florescence detector. Results showed that AFM1 was present in 76% of the analyzed samples, of which more than 80% had a much higher level of AFM1 than the European Union permissible level of i.e.0.05 μg/kg in milk products. The aflatoxin M1 in all the tested samples was observed in the range of 0.004 to 1.49 μg/kg. On average, the Gulab Jamun and Malai Laddu showed the highest level of aflatoxin M1 i.e. 1.49 and 1.17μg/kg, respectively. The lowest amount of aflatoxin M1 was found in Kalakand samples 0.004μg/ kg. The conclusion drawn from this data revealed that almost three-fourths of the mithae samples were highly contaminated with AFM1 due to their main component, milk. The consumption of milk-based mithae is popular due to health benefits as well as being part of tradition. Instead of being nourishing and beneficial, it is been found to be hazardous to human health due to aflatoxin contamination. Continued monitoring of aflatoxin M1with strict rules and regulations is required to prevent aflatoxin accumulation in this favorite food commodity. Graphical Abstract

In this research, ammonium chloride was used to calcine Ti-extraction blast furnace slag (EBFS) with the aim of removing iron from it. The influences of calcination temperature, ammonium chloride to EBFS mass ratio and particle size on the rates of iron removal were investigated. The results show that the rate of iron removal increased to almost 100% with increases in calcination temperature and the NH4Cl to EBFS mass ratio, but decreased with increases in particle size. Iron is removed in the form of ferric chloride gas, and ammonium chloride can be recycled by recrystallization after decomposition. The bagdasarrym model was used to describe the calcination process at temperatures below 261°C, which was controlled by nonisothermal crystallization. The reaction kinetic equation was obtained and the apparent activation energy of 67.21 kJ/mol. Ferric chloride reaction product existed in the calcined slag in an amorphous solid state. The shrinking core model was used to describe the calcination process at temperatures above 261°C, which was controlled by surface chemical reactions. The reaction kinetic equation was obtained and the apparent activation energy was found to be 42.05 kJ/mol.

2’-OMe-RNA analogues and LNA point modifications of DNA oligonucleotides were applied for the modulation of the G-quadruplex topology and enhancement of peroxidase activity of the resulting DNAzymes. The effect of the 2’-OMe-RNA analogue was studied for full length modified oligonucleotides with various sequences. In the case of LNA-point modification, we have chosen a telomeric DNA sequence and investigated various numbers of modifications. Our main goal was to prove that the application of these modifications can influence the activity of DNAzyme, especially those, which normally form poor DNAzymes. As an example, we have chosen the telomeric HT22 sequence which is known to form DNAzyme characterized by low activity. In all cases, the DNAzymes formed by a telomeric sequence with the application of the 2’-OMe-RNA analogue as well as LNA-point modification, showed significantly higher peroxidase activity. We were also able to shift the formation of hybrid or antiparallel topology to parallel topology. These results are important for the development of probes for biological applications as well as for the design of probes based on DNA sequences that normally form DNAzymes with low activity. This paper also provides information on how the application of nucleotide analogues can transform the topology of G-quadruplexes.

In the present study, a chromene-appended pyrimidone derivative ( PBA ) has been synthesized in order to account for the relationship between chemical structure and charge transport properties. The optical properties of PBA were studied in different solvents; it displays a weak emission profile in polar protic solvents but is highly emissive in polar aprotic solvents. Quantum chemical approaches on this molecule were performed in detail to highlight the importance of and to better understand the structural and electronic effects of introducing substituted pyrimidone rings in a polyaromatic molecule to support the development of new optoelectronic and photovoltaic devices. We shed light on the frontier molecular orbital, electron injection, electronic coupling constant, light harvesting efficiency, and photophysical properties of PBA by using density functional theory and time domain density functional theory. The absorption spectra (λ a ) and fluorescence emission spectra (λ f ) were computed in different solvents (Methanol, Ethanol, Butanol, Hexane, Chloroform and DMF) at the TD-B3LYP/6-31G** and TD-PBE/6-31G** levels of theory, and it was determined that the TD-B3LYP/6-31G** level is more accurate in the reproduction of experimental λ a and λ f in various solvents. Furthermore, no significant effect was observed on the λ a and λ f by changing the solvent polarity.

This study was performed to elucidate the potential influence of He Qi San (HQS) on glucose and lipid metabolism in type 2 diabetes mellitus (T2DM) patients with phlegm-blood stasis syndrome (PBSS), and to determine DNA methylation changes. Sixty T2DM patients with PBSS were randomly divided into control and HQS groups. The control group received conventional treatments, and the HQS group received conventional treatments plus HQS. Glucose metabolism (FPG, 2hPG, FINS, and HbA1c) and lipid metabolism indexes (TG, TC and LDL-C) were determined. Genes with differential DNA methylation were subjected to GO and KEGG analyses. Glucose and lipid metabolism indexes in both groups were reduced, but were much more pronounced in the HQS group. Differential promoter CpG methylation regions were identified in 682 genes, including 426 genes with high-CpG promoters, 150 genes with intermediate CpG promoters, and 106 genes with low CpG promoters. Genes with differential DNA methylation were mainly enriched in the AMPK and insulin signaling pathways, terpenoid backbone biosynthesis, and renin secretion. We concluded that HQS remarkably improved indexes of glucose and lipid metabolism in T2DM patients with PBSS through regulating the DNA methylation of genes in the AMPK and insulin signaling pathways and terpenoid backbone biosynthesis.

Polyvinyl chloride (PVC) membrane sensors were constructed and developed for the determination of procainamide HCl (PR). Three membrane sensors incorporating α-, β- and γ- cyclodextrin (CD) as ionophores with potassium tetrakis (4-chlorophenyl) borate (KTpClPB) as the ion additive, o-nitro phenyl ether (o-NPOE) as the plasticizer and a PVC matrix. The reaction mechanisms were based on inclusion complexes. The developed α- and β- CD sensors exhibited near-Nernstian profile, whereas γ- CD showed a non-Nernstian response. At pH 4 -8, the sensors exhibited a calibration range for PR of 10 -3 to 10 −6 , and the detection limits were 2.40 × 10 -6 , 2.12 × 10 -6 , 2.40 × 10 -6 for α-, β- and γ- CD sensors, respectively. Interference was investigated by studying the selectivity coefficient values of the test sensors, which indicated that the methods were free from interference from investigated species. The determination of PR exhibited high recovery and favorable relative standard deviation using the investigated sensors. The sensors were subsequently used for the quantification of PR in a pharmaceutical formulation and the potentiometric results agreed with those of a spectrophotometric method. A molecular docking (MD) study was used to predict the structure of the inclusion complexes of PR (guest) and α- or β- or γ-CD (host). The study results indicated that the formed complexes were stable with sufficient binding energy.

Several types of ionic liquids (ILs) performance towards dimethyl carbonate (DMC) synthesis using cheap reactant (methanol) and waste CO 2 which is abundantly available in the environment are discussed. We synthesized ILs with cheap raw materials such as ethylene glycol. The main aim of this study is to synthesize efficient catalysts for the production of profitable fuel additives. ILs show high thermal stability, less viscosity, and low vapor pressure. In addition, some ILs have high CO 2 absorption capacity due to moderate acid-base properties. These ILs reversibly capture more CO 2 which is more efficient towards mass transport of methanol at optimum reaction conditions which enhance the DMC yield. This catalytic system is easily reusable for several reactions without decreased performance under the same reaction conditions. These reaction conditions had an effect on the synthesis of DMC. Temperature, pressure, IL loading, and IL/DMAP ratio were fine tuned. We propose a mechanism which the reaction may follow. The synthesized ILs required moderate reaction conditions and reduce waste gases (CO 2 ) from the environments as they have high CO 2 absorption capacity compared to the metal oxide catalyst. Therefore, this catalytic system helps and gives new direction to synthesize new catalyst for other application. Graphical Abstract

The effects of bacterial poly(hydroxyoctanoate) (PHO) and talc on the nonisothermal cold crystallization behaviours of poly(lactic acid) (PLA) were analysed with differential scanning calorimetry (DSC), and the thermal stability of the samples was observed with thermal gravimetric analysis (TGA). The modified Avrami’s model was used to describe the nonisothermal cold crystallization kinetics of neat PLA and its blends. The activation energies E for nonisothermal cold crystallization were calculated by the isoconversional method of Kissinger-Akahira-Sunose (KAS). The DSC results showed that the PLA/PHO blends were immiscible in the whole studied range, and as the PHO and talc content increased, the crystallization rate of PLA accelerated, and the crystallinity of PLA in the PLA samples increased. The values of the Avrami exponent indicated that the nonisothermal cold crystallization of the neat PLA and its blends exhibited heterogeneous, three-dimensional spherulitic growth. The E values were strongly dependent on PHO and talc. The TGA results showed that the presence of PHO and talc slightly influenced the thermal stability of PLA. Graphical Abstract

In this study, biochars derived from bagasse were prepared and their ability for the adsorption of four kinds of sulfonamide antibiotics (sulfamethoxazol, thiazole, methylpyrimidine, dimethylpyrimidine) was investigated. Results showed that the modified biochar can efficiently adsorb sulfonamides in water. The biochar obtained at 500 o C and modified with 30% hydrogen peroxide was chosen as the adsorbent. Under optimum conditions, pH 4 and 35°C, great adsorption performance was exhibited in the adsorption process of the four sulfonamide antibiotics. The productivity of the modified biochar was ~ 89% compared to un-modified biochar which is ~31%. The successful preparation of biochar from bagasse indicates that it is a good way to reuse the resources. Besides the adsorption of antibiotics, the obtained material also has a great prospect in the removal of other pollutants.

Cells with non-alcoholic fatty liver disease (NAFLD) were studied to determine the mechanism of liver deficiency via the AdipoR2-PPARa pathway. NAFLD cells were randomly divided into a normal control group, blank control group, model group, low dose group, medium dose group, and high dose group. The NAFLD models were established by incubating the cells with linoleic acid (LA) and palmitic acid (PA) (2:1) for 24 h. The test groups were incubated with different doses of Shugan Xiaozhi Fang extract. The pathological changes in cells that accumulated lipids were detected by Oil Red O staining. Malondialdehyde (MDA) and triglyceride (TG) levels were measured. The apoptosis of cells was evaluated by flow cytometry. The levels of AdipoR2, PPARa, CD36, acyl-CoA mRNA, and protein were confirmed by RT- PCR and Western blot. The results of the Oil Red O staining demonstrated that the NAFLD cell model was successfully established. Compared with the model group, the levels of TG and MDA in the groups that received low, medium, and high doses of Shugan Xiaozhi were significantly lower (P<0.01), and a dose effect was evident. In addition, the expression of AdipoR2, PPARa, CD36, acyl-CoA protein, and mRNA in the Shugan Xiaozhi-treated groups was upregulated. Furthermore, the levels of AdipoR2, PPAR, CD36, acyl-CoA protein, and mRNA in all drug treatment groups that were extracted from L-O2 normal human hepatocytes were significantly upregulated (P<0.01). Moreover, the factor pattern of HepG2 human liver carcinoma cells was similar to that of L-O2. The levels of AdipoR, CD36, acyl-CoA, and AdipoR mRNA in the HepG2 low group were increased (P<0.05). AdipoR, PPAR, CD36, and acyl-CoA protein levels and AdipoR mRNA expression were significantly increased in the intermediate dose group and high dose group (P<0.01). Shugan Xiaozhi Fang attenuates hepatic lipid deposition in NAFLD induced by incubating with LA and PA for 24 h, which is associated with the activation of the AdipoR2-PPARα pathway.

This pot experiment was to evaluate how salts (NaCl, Na 2 SO 4 ) and alkali (Na 2 CO 3 +NaHCO 3 ) affect the physiological and biochemical characteristics during the seedling stage of two cotton cultivars (salt-tolerant, L24; salt-sensitive, X45). Salt and alkali stress reduced seedling emergence rate, relative biomass, and chlorophyll content, however, the REC and MDA content increased. Salt and alkali stress increased markedly superoxide dismutase (SOD) activity. Peroxidase (POD) activity increased first and then decreased as the increase of salt and alkali stress. Catalase (CAT) activity initially increased and then decreased as NaCl stress increased. In addition, the SOD activity, REC, and MDA content was markedly higher in salt stress than that in alkali stress. The proline content of L24 was higher than that of X45 under salt and alkali stress. However, glycine betaine and soluble sugar content of L24 was lower than that of X45 under alkali stress. The REC and MDA content of L24 were lower than those of X45, however, the relative biomass, chlorophyll content, SOD, POD, CAT, and Pro were higher than those of X45. In conclusion, salt tolerant cotton cultivars may possess a superior protection effect by increasing antioxidant enzymes activity under salt and alkali stress.

Retention, separation selectivity and system efficiency of selected basic psychotropic drugs (clozapine, aripiprazole, vortioxetine and zolpidem) and drug metabolites (desmethylclozapine, clozapine N-oxide and dehydroaripiprazole) on Hydro RP, Phenyl-Hexyl and Polar RP columns were studied. Mobile phases containing methanol or acetonitrile as organic modifiers, acetate buffer at pH 3.5 and addition of diethylamine (DEA) as a silanol blocker were applied. Significant differences in the retention, peak shapes and systems’ efficiency of the investigated compounds were obtained depending on the tested chemically bonded stationary phases with various ligands. Based on the obtained results the Phenyl-Hexyl column was selected for analysis of the drugs and their metabolites in human serum and saliva samples. Solid phase extraction (SPE) was applied for sample pre-treatment. The best SPE-HPLC-DAD procedure was used for simultaneous analysis of clozapine, aripiprazole and their metabolites in body fluids. Liquid chromatography coupled with tandem mass spectrometry (LC-MS/MS) method was applied for confirmation of the presence of the investigated compounds in biological samples. The lower limit of quantification (LLOQ) of clozapine obtained using the proposed method was 10 ng/mL. The validated method for determining the presence of clozapine and its main metabolite was successfully applied in therapeutic drug monitoring. Graphical Abstract

Transition metal oxide (TMO) continues to be studied and developed as an oxygen evolution reaction (OER) electrocatalyst due to its abundance and low price. The aim of this experiment was to evaluate Ni 2+ -doped BaFe 12 O 19 (BHF) as an OER electrocatalyst in an alkaline medium. BHF and Ni-doped BHF was synthesized through a low temperature coprecipitation technique followed by a calcination process at 750 o C for 4 h. Diffractograms of the BHF and the Ni-doped BHF indicated a single phase on the synthesized BHF and formed Fe 2 O 3 impurities on the Ni-doped BHF. SEM images showed a homogenous plate-shaped particles in the BHF, while the Ni-doped BHF had larger inhomogeneous particles. Ni dopant increased OER electrocatalytic activity of BHF based on overpotential on specific current density. The Ni-doped BHF had comparable activity to some metallic oxides based on their overpotential values at specific current density value.

In this study, a clinoptilolite was applied to remove ammonium from piggery wastewater. The performance of ammonium removal and the correspondingly mechanisms were discussed. Under the optimal conditions of clinoptilolite dosage of 12 g/L, solution pH value of 8.3, shaking speed of 280 rpm and contact time of 55 min obtained by using response surface methodology (RSM), 19.7 mg of ammonium can be adsorbed onto 1 g of clinoptilolite, which was declined when metal cations were presented in the piggery wastewater. The ammonium adsorption process by the clinoptilolite can be well fitted by Langmuir isotherm with a spontaneous nature and pseudo–second–order kinetics model. Furthermore, column study showed that to some extent, the increased flow rate was beneficial to the removal of ammonium, and the ammonium adsorption capacity of clinoptilolite in column study was much higher than those in batch study.

To investigate the phytochemical composition, acute and sub-acute toxicity of the aqueous extract of B. dioica roots. The phytochemical analysis was performed using gas chromatography-mass spectrometry (GC-MS). The acute toxicity of the aqueous extract of B.dioica roots was assessed in mice with single doses ranging from 250 to 1000 mg/kg for 14 days. The sub-acute toxicity was carried out with repeated doses ranging from 64.5 to 250 mg/kg for 28 days. Histopathological changes and markers of renal and liver function were investigated. The results of GC-MS analysis showed the presence of interesting phytoconstituents. The clinical symptoms and mortalities that occurred in treated mice were more remarkable due to the increasing sample concentration of the studied extract. However, no mortalities, or histopathological, or biochemical disturbances were observed even at the maximal dose administered (250 mg/kg). The outcome of the present work suggests that the treatment of animals with single doses of B. dioica roots extract higher than 250 mg/kg produces significant toxicities, however, treatment with repeated doses up to 250 mg/kg for 28 days seems to be safe for animals.

The horticultural cultivars of Hemerocallis (daylily) have been used to treat diseases such as insomnia, inflammation and depression, and also as a vegetable in eastern Asia. Taking into consideration the fact, that the volatile compounds in Hemerocallis cultivars have not been investigated to date, we decided to study the composition of the essential oils (EOs) from the aerial parts of ten varieties collecting in Poland. EOs, obtained by hydrodistillation, were analyzed by GC/MS method that resulted in identification of 23-36 volatile compounds comprising 89.5%–96.3% of the total amount. The essential oils differed in their composition and they can be classified into three groups. The antibacterial and antioxidant activities of EOs were also evaluated. Gram-negative strains were most strongly inhibited by all tested oils. Two model systems have been used for the antioxidant efficacy, 2,2-diphenyl-1-picryl-hydrazyl (DPPH•) andβ-carotene bleaching assays. The essential oils with the high presence of oxygenated monoterpenes and monoterpene hydrocarbons showed higher antioxidant activity. The chemical composition of EOs of Hemerocallis cultivars and their biological activity is reported for the first time. Thus, the findings presented here suggest that the aerial parts of Hemerocallis cultivars may be candidates for the development of new phytomedicine. Graphical Abstract

In order to obtain higher strength fiber reinforced composite electroforming deposit, carbon fiber reinforced nanocrystalline nickel composite electroforming deposit was prepared by electrodepositing with pulse current and a flexible wheel was applied to rub and extrude the electroforming deposit. Results shown that when the grains of the carbon fiber reinforced nickel composite electroforming deposit were refined from micron to 80nm at room temperature, the microhardness increased from 230Hv to 740Hv, and the tensile strength increased from 1025MPa to 1472MPa. With the further refinement of the grains of the electroforming deposit, the tensile strength decreased significantly due to the decrease of the bonding strength between the carbon fiber and the nickel matrix, while the microhardness still increased to 758Hv. At 200°C, the carbon fiber reinforced nanocrystalline nickel composite electroforming deposit still showed high strength. When the temperature rose to 400°C, the influence of nanocrystalline on the tensile strength of the carbon fiber reinforced nickel composite electroforming deposit was no longer significant, due to the rapid growth of crystal grains and the precipitation of interfacial brittle substances.

Resistance to Dopamine agonists therapy is still a key factor that hinders the clinical treatment of prolactinoma. Consequently, a large number of investigations have been carried out to identify novel therapeutic targets. Our previous studies have suggested that the epidermal growth factor-like domain 7 (EGFL7) plays a crucial role in tumorigenesis of pituitary adenomas via EGFR/AKT/MAPK signaling pathway. In the present research, we found a positive staining of c-myc intimately associated with high-level EGFL7 in invasive prolactinoma compared to non-invasive prolactinoma and the normal pituitary gland. Meanwhile, PI3K/Akt and MAPK signaling cascades closely related to the activation of c-myc. Therefore, this research was conducted to explore the cooperation effect of c-myc and EGFL7 in prolactinoma. The inhibition of c-myc with anti-c-myc antibodies significantly reduced the proliferation, PRL secretion and invasion of rat prolactinoma MMQ cells. Notably, down regulation c-Myc by in vitro administration of anti-c-Myc antibodies could significantly depress EGFL7 induced MMQ cell proliferation, PRL secretion and invasion. An anti-c-Myc antibody could block EGFL7 induced Akt activation, but the expression of p-ERK was not altered by an anti-c-Myc antibody. Thus, our results suggest that anti-c-myc efficacy could block EGFL7 induced prolactinoma tumorigenesis via inhibited Akt activation in MMQ cells.

Topological indices are the fixed numbers associated with the graphs. In recent years, mathematicians used indices to check the pharmacology characteristics and molecular behavior of medicines. In this article the first Zagreb connection number index is computed for the nanotubes VC 5 C 7 [ p , q ] , HC 5 C 7 [ p , q ] and Boron triangular Nanotubes. Also, the same index is computed for the Quadrilateral section Pmn$P_{m}^{n}$and Pm+12n$P_{m+\frac{1}{2}}^{n}$cuts from regular hexagonal lattices.

The Sanskruti index of a graph G is defined as S(G)=∑uv∈E(G)sG(u)sG(v)sG(u)+sG(v)− 23,$$\begin{align*}S(G)=\sum_{uv\in{}E(G)}{\left(\frac{s_G(u)s_G(v)}{s_G(u)+s_G(v)-2}\right)}^3, \end{align*}$$where s G ( u ) is the sum of the degrees of the neighbors of a vertex u in G . Let P n , C n , S n and S n + e be the path, cycle, star and star plus an edge of n vertices, respectively. The Sanskruti index of a molecular graph of a compounds can model the bioactivity of compounds, has a strong correlation with entropy of octane isomers and its prediction power is higher than many existing topological descriptors. In this paper, we investigate the extremal trees and unicyclic graphs with respect to Sanskruti index. More precisely, we show that (1) 51227n− 1726883375≤ S(T)≤ (n− 1)78(n− 2)3 $\frac{512}{27}n-\frac{172688}{3375}\leq{}S(T)\leq{}\frac{(n-1)^7}{8(n-2)^3}$for an n -vertex tree T with n ≤ 3, with equalities if and only if T ≌ P n (left) and T ≌ S n (right); (2) 51227n≤ S(G)≤ (n− 3)(n+1)38+3(n+1)68n3$ \frac{512}{27}n\leq{}S(G)\leq{}\frac{(n-3)(n+1)^3}{8}+\frac{3(n+1)^6}{8n^3}$for an n -vertex unicyclic graph with n ≥ 4, with equalities if and only if G ≌ C n (left) and G ≌ S n + e (right).

Bakelite network BNmn$BN_{m}^{n}$is a molecular graph of bakelite, a pioneering and revolutionary synthetic polymer (Thermosetting Plastic) and regarded as the material of a thousand uses. In this paper, we aim to compute various degree-based topological indices of a molecular graph of bakelite network BNmn$BN_{m}^{n}$. These molecular descriptors play a fundamental role in QSPR/QSAR studies in describing the chemical and physical properties of Bakelite network BNmn$BN_{m}^{n}$. We computed atom-bond connectivity ABC its fourth version ABC 4 geometric arithmetic GA its fifth version GA 5 Narumi-Katayama, sum-connectivity and Sanskruti indices, first, second, modified and augmented Zagreb indices, inverse and general Randic’ indices, symmetric division, harmonic and inverse sum indices of BNmn$BN_{m}^{n}$.

Atoms displayed as vertices and bonds can be shown by edges on a molecular graph. For such graphs we can find the indices showing their bioactivity as well as their physio-chemical properties such as the molar refraction, molar volume, chromatographic behavior, heat of atomization, heat of vaporization, magnetic susceptibility, and the partition coefficient. Today, industry is flourishing because of the interdisciplinary study of different disciplines. This provides a way to understand the application of different disciplines. Chemical graph theory is a mixture of chemistry and mathematics, which plays an important role in chemical graph theory. Chemistry provides a chemical compound, and graph theory transforms this chemical compound into a molecular graphwhich further is studied by different aspects such as topological indices.We will investigate some indices of the line graph of the subdivided graph (para-line graph) of linear-[ s ] Anthracene and multiple Anthracene.

Dendrimers have an incredibly strong potential because their structure allows multivalent frameworks, i.e. one dendrimer molecule has many possible destinations to couple to a functioning species. Researchers expected to utilize the hydrophobic conditions of the dendritic media to lead photochemical responses that make the things that are artificially tested. Carboxylic acid and phenol- terminated water-dissolvable dendrimers were joined to set up their utility in tranquilize conveyance and furthermore driving compound reactions in their inner parts. This may empower scientists to associate both concentrating on atoms and medication particles to the equivalent dendrimer, which could diminish negative manifestations of prescriptions on sound and health cells. Topological indices are numerical numbers associated with the graphs of dendrimers and are invariant up to graph isomorphism. These numbers compare certain physicochemical properties like boiling point, strain energy, stability, etc. of a synthetic compound. There are three main types of topological indices, i.e degree-based, distance-based and spectrum-based. In this paper, our aim is to compute some degree-based indices and polynomials for some dendrimers and polyomino chains. We computed redefined first, second and third Zagreb indices of PAMAM dendrimers PD 1 , PD 2 , and DS 1 and linear Polyomino chain L n , Zigzag Polyomino chain Z n , polyomino chain with n squares and of m segments Bn1$B_{n}^{1}$and Bn2$B_{n}^{2}$We also computed some Zagreb polynomials of understudy dendrimers and chains.

The Chemical graph theory is extensively used in finding the atomic supplementary properties of different chemical stuructures. Many results of graph theory are commonly used in molecular structures and in general in Chemisty. In a molcular graph vertices are atoms while chemical bonds are given by edges. This article is about computing the exact values for some degree based toplogical descriptors of two molecular structures. Namely we work on the silicon-carbon Si 2 C 3 - III and SiC 3 - III for dimension two. We also discuss some applications of these results towards Chemistry.

Graph theory plays important roles in the fields of electronic and electrical engineering. For example, it is critical in signal processing, networking, communication theory, and many other important topics. A topological index (TI) is a real number attached to graph networks and correlates the chemical networks with physical and chemical properties, as well as with chemical reactivity. In this paper, our aim is to compute degree-dependent TIs for the line graph of the Wheel and Ladder graphs. To perform these computations, we first computed M-polynomials and then from the M-polynomials we recovered nine degree-dependent TIs for the line graph of the Wheel and Ladder graphs.

Group Theory is the mathematical application of symmetry to an object to obtain knowledge of its physical properties. The symmetry of a molecule provides us with the various information, such as - orbitals energy levels, orbitals symmetries, type of transitions than can occur between energy levels, even bond order, all that without rigorous calculations. The fact that so many important physical aspects can be derived from symmetry is a very profound statement and this is what makes group theory so powerful. In group theory, a finite group is a mathematical group with a finite number of elements. A group is a set of elements together with an operation which associates, to each ordered pair of elements, an element of the set. In the case of a finite group, the set is finite. The Fischer groups Fi 22 , Fi 23 and Fi 24 ‘ are introduced by Bernd Fischer and there are 25 maximal subgroups of Fi 24 ‘ . It is an open problem to find the generators of maximal subgroups of Fi 24 ‘ . In this paper we provide the generators of 10 maximal subgroups of Fi 24 ‘ .

Group theory, the ultimate theory for symmetry, is a powerful tool that has a direct impact on research in robotics, computer vision, computer graphics and medical image analysis. Symmetry is very important in chemistry research and group theory is the tool that is used to determine symmetry. Usually, it is not only the symmetry of molecule but also the symmetries of some local atoms, molecular orbitals, rotations and vibrations of bonds, etc. that are important. Harada-Norton group is an example of a sporadic simple group. There are 14 maximal subgroups of Harada-Norton group. Generators (also known as words) of 11 maximal subgroups are already known. The aim of this note is to give generators of the remaining 3 maximal subgroups, which is an open problem mentioned on A World-wide-web Atlas of Group Representations (http://brauer.maths.qmul.ac.uk/Atlas) [1]. In this report we compute the generators of A 6 × A 6 . D 8 , 2 3+2+6 .(3 × L 3 (2)) and 3 4 : 2.( A 4 × A 4 ).4. Moreover we also compute the generators for the Maximal subgroups of some linear groups.

Chokeberry fruit ( Aronia melanocarpa (Michx.) Elliott) is known for its antioxidant properties and generally beneficial impact on human health. The aim of the research was to produce innovative corn porridge with a different content of chokeberry fruit percentage-wise and to test it to determine the content of polyphenolic compounds, including flavonoids and individual free phenolic acids, and determine the antioxidant properties of analysed extracts. One of the objectives was also to identify the optimum porridge production parameters, including, among other things, the rotational speed of the extruder screw during the extrusion process. Obtained results showed that an increased content of chokeberry fruit in porridge enhances its antioxidant properties, as well the content of polyphenols, flavonoids, and free phenolic acids. The greatest free radicals scavenging activity by all extracts was reported after 10 minutes of the process. The results of the above study demonstrate that extruded porridge enriched with chokeberry fruit have a potential for becoming a good source of natural antioxidants, and the extrusion process at 80 rpm does not degrade the tested active compounds.

Tiliroside is one of the main flavonoid compounds responsible for a wide spectrum of biological activity of Tilia L. Up to now, several extraction techniques have been reported for extracting this compound from Tilia L. In this work for the first time supercritical carbon dioxide extraction was used for this purpose. Experiments were performed using supercritical carbon dioxide with 5% and 10% of ethanol as solvent, aiming a recovery content of tiliroside, temperature from 45 to 80°C, pressure from 100 to 220 bar and time from 20 to 60 minutes. The statistically generated optimum extraction conditions to obtain the highest content of tiliroside were established as: pressure of 200 bar, temperature 65°C and 45-50 minutes for 5% ethanol concentration and pressure of 220 bar, temperature 65°C and 15 minutes for 10% ethanol concentration. A liquid chromatography-electrospray ionization-tandem mass spectrometry method (LC-ESI-MS/MS) was used to determine the content of tiliroside in the obtained extracts. In addition, the total phenolic (TPC) and flavonoid (TFC) content and antioxidant activity (DPPH • method) were determined.

Replacing the gluten network to produce high quality pasta is a great technological challenge. One of known solutions to the problem is the addition of xanthan gum. This paper focuses on the possibility of obtaining a new type of gluten-free maize-field bean pasta and explores the characteristics of phenolics content, antioxidant activity, cooking quality, textural and thermotropic behavior as well as the microstructure of pasta products with the various levels of added xanthan gum. The obtained results revealed that 0.25, 0.50 and 0.75% addition of xanthan gum to pasta did not have significant influence on its phenolics content and antioxidant activity, whereas 1.00% addition caused a decrease in the tested parameters. On the other hand, the opposite effect of gum addition on the cooking quality, texture characteristic and microstructure was observed. The addition of xanthan gum to the formulation improved pasta quality while reducing the leaching of its components into the cooking water. Pasta prepared with 1.00% xanthan gum showed the lowest cooking loss, the highest firmness, and the lowest adhesiveness. These results revealed a significant influence of xanthan gum content on pasta properties as confirmed by the thermal analysis and SEM microstructure observations.

Moldavian dragonhead ( Dracocephalum moldavica L .) is a plant endemic to Asia where it has been used for centuries for the production of essential oils. With the constantly growing demand for vegetable fats it is necessary to find new methods of ensuring their high quality from the moment of production until their eventual purchase by the consumer. Correct assessment of the quality of oleaginous products is therefore one of the intensively explored scientific problems that stimulates the development of innovative methods of analysing such substances. One of the newer and, most importantly, faster alternatives in the context of analysing the quality of oil and the changes it undergoes during storage is offered by FTIR spectroscopy (Fourier-Transform Infrared spectroscopy). By measuring the relevant FTIR spectra, we were able to observe clear discrepancies in the intensity of bands characteristic of the aging processes taking place in the oleaginous samples due to the oxidation of their fat fractions. The chemometric analysis of FTIR spectra confirmed the high quality of the analysed oils. It is noteworthy that the analysed samples of Moldavian dragonhead oil did not show particularly extensive changes in terms of their FTIR spectra during long-term storage. It confirms their high durability and usability in food production as an excellent product. This is valuable information in order to make progress in the use of Moldavian dragonhead oil in food products.

The objective of the study was to identify suitable additives stabilizing standard solutions of ascorbic acid (AA) that would not cause interference in the analytical process with the use of voltammetry in the determination of the AA content in food products. In addition, the effect of various conditions of storage of selected fruit juices and drinks on the concentration of vitamin C was studied. The study demonstrated that AA degradation was inhibited the most effectively by tartaric acid and its optimum concentration was set to 200 mg L -1 . Analysis of selected fruit juices stored in various temperature conditions confirmed that an elevation of temperature and extension of the time of storage caused a decrease in the content of vitamin C in the analyzed samples, while closing the packages caused a limitation of the changes in concentration of this vitamin. On the basis of literature data and of the results obtained in the present study it can be concluded that fruit juices should be stored at a temperature lower than room temperature to retain their nutritive value.

The toxicity of heavy metals and their capacity for accumulation in the human organism make it necessary to conduct monitoring of their concentration in food. The objective of the study was to determine the content of lead, cadmium, copper and zinc in milk and dairy products from various regions of Poland: the Lublin Region, Podlasie, Podkarpacie, and Silesia. The study showed the presence of the analysed heavy metals in most of the products. The content of lead was related to the level of industrialisation of a region. Higher levels of Pb were found in products from Silesia than in those from the other regions. The study revealed the presence of cadmium in 50% of the samples. Its content varied in range from 0.0067 to 0.0058 mg/kg. The levels of Cu and Zn concentration in the analysed products were within broad ranges, from 0.0015 to 4.94 mg/kg and from 0.01 to 56.44 mg/kg, respectively. In the case of all analysed elements an increase in their concentration was noted in cheese spreads and cottage cheeses. No relationship was found between the content of heavy metals in the analysed products, and the region of their origin.

This research prepared a TiO 2 , ZnS, and ZnS-TiO 2 film on a carbon fiber, to produce TiO 2 /C-fiber, ZnS-C-fiber, and ZnS-TiO 2 /C-fiber by Chemical Bath Deposition (CBD). Results show that TiO 2 /C-fiber consist of anatase at 2θ 25.3 o and 54.6 o, rutile at 2θ 43.5 o and a carbon characteristic peak at 2θ of 24.5 o. Meanwhile, the characteristic peaks of ZnS on ZnS-TiO 2 /C-fiber present at 2θ of 27.91 o and 54.58 o. TiO 2 /C-fiber has a band gap energy of 3.60 eV, the ZnS/C-fiber of 3.73 eV; when those two catalyst combine, the gap energy is 3.15 eV indicating the interface charge transfer between ZnS-TiO 2 . Photocatalytic treatment of an isopropanol solution with TiO 2 /C-fiber as a catalyst and under UV light radiation present results peaks at 222- 224 nm and 265 nm, indicating the electronic transition of acetone. Meanwhile, the isopropanol degradation with ZnS-TiO 2 /C-fiber produced a new peak at 234-237 nm. The Quantum Yield, QY, of ZnS-TiO 2 /C-fiber is 6.96 x 10 -4 , higher than TiO 2 /C-fiber, i.e., 0.42 x 10 -4 . It indicates that ZnS provides a significant role in the photocatalytic activity through a red shift of light response and decreasing electron-hole recombination.

This study investigates the potential of N -octyl chitosan derivatives, namely N -octyl- O -sulfate chitosan (NOOSC), N -octyl- N -succinyl chitosan (NONSC) and N -octyl- O -glycol chitosan (NOOGC) as amphiphilic carrier agents for atrazine in water-insoluble herbicide formulations. The N -octyl chitosan derivatives were characterised using several analytical instruments such as Fourier Transform Infrared (FTIR) Spectrometer, CHNS-O Elemental Analyser (CHNS-O), Transmission Electron Microscope (TEM), Thermogravimetric Analyser (TGA), Differential Scanning Calorimeter (DSC) and Fluorescence Spectrometer. The encapsulation of atrazine by N -octyl chitosan derivatives was studied using a High Performance Liquid Chromatography (HPLC). The FTIR spectra of N -octyl chitosan derivatives confirmed the presence of hydrophobic and hydrophilic groups on chitosan backbone. TEM images revealed that N -octyl chitosan derivatives have formed self-aggregates with a spherical shape. The CMC values for N -octyl chitosan derivatives were between 0.06 and 0.09 mg/mL. The encapsulation efficiency (EE) values for amphiphilic chitosan were greater than 90%. The release profiles showed different release behaviour of pure herbicide in solution as compared to atrazine-loaded N -octyl chitosan derivatives. Results suggest that the chitosan derivatives offer promising characteristics that enable them to act as effective carrier agents for atrazine. In conclusion, the application of N -octyl chitosan derivatives could reduce the use of organic solvents in herbicide formulations by 37.5%.

Phosphate ester hydrolysis is essential in signal transduction, energy storage and production, information storage and DNA repair. In this investigation, hydrolysis of adenosine monophosphate disodium salt (AMPNa 2 ) was carried out in acidic, neutral and alkaline conditions of pH ranging between 0.30-12.71 at 60°C. The reaction was monitored spectrophotometrically. The rate ranged between (1.20 ± 0.10) × 10 -7 s -1 to (4.44 ± 0.05) × 10 -6 s -1 at [NaOH] from 0.0008 M to 1.00M recorded a second-order base-catalyzed rate constant, k OH as 4.32 × 10 -6 M -1 s -1 . In acidic conditions, the rate ranged between (1.32 ± 0.06) × 10 -7 s -1 to (1.67 ± 0.10) × 10 -6 s -1 at [HCl] from 0.01 M to 1.00 M. Second-order acid-catalyzed rate constant, k H obtained was 1.62 × 10 -6 M -1 s -1 . Rate of reaction for neutral region, k 0 was obtained from graphical method to be 10 -7 s -1 . Mechanisms were proposed to involve P-O bond cleavage in basic medium while competition between P-O bond and N -glycosidic cleavage was observed in acidic medium. In conclusion, this study has provided comprehensive information on the kinetic parameters and mechanism of cleavage of AMPNa 2 which mimicked natural AMP cleavage and the action of enzymes that facilitate its cleavage.

Andrographis paniculata Ness is one of the plants that is under explored and could contain potentially active substances to serve as an antimalarial. Structure investigation of major compounds that have responsibility for the antimalarial activity of Andrographis paniculata Ness ’s n-hexane extract is very important so that it is known whether the antimalarial activity is synergistic or from the major compounds. Menthol and dioctyladipate as major component from n-hexane extract of Andrographis paniculata Ness have been succesfully isolated using simple and inexpensive methods. The solvent system used are n-hexane : ethyl acetate (10:1) and n-hexane: chloroform (10:3) consecutively either for column or preparative thin layer chromatography. FT-IR, 1 H-NMR and GC-MS were used to determine the structure of compounds. The activity of n-hexane extract, menthol and dioctyladipate related to the inhibition of heme polymerization have been done comprehensively. The inhibition of heme polymerization activity of isolate compounds and n-hexane extract are classified to a good level (dioctyl adipate IC 50 = 1.15 ± 0.41 mg/mL, menthol IC 50 = 0.31 ± 0,01 mg/mL, and n-hexane extract IC 50 = 0.07 ± 0.03 mg/mL) and potentially as antimalarial. From the IC 50 , the antimalarial activity of Andrographis paniculata Ness ’s n-hexane extract is working synergistically, not by the major compounds.

The density functional theory (DFT) at B3LYP/6-31G( d ) level has been utilized to achieve the electric dipole moment (μ),$\left( \mu \right),$static dipole polarizability (α)$\left( \alpha \right)$and first hyperpolarizability (β)$\left( \beta \right)$values for ferulic acid ( 1 ) and chenodeoxycholic acid ( 2 ). The time-dependent Hartree-Fock (TDHF) technique as a powerful quantum chemical method has been implemented to reveal the dynamic α, β$\alpha ,\,\beta $and third-order hyperpolarizabilities (γ)$\left( \gamma \right)$of the examined compounds. Our computational conclusions have been compared with the results of similar materials in the literature. The first and second frontier molecular orbitals (MOs) and their band gaps have also been investigated by means of DFT. Graphical Abstract

There are many diseases in potatoes that cause loss of quality and yield in the world. One of them is the Rhizoctonia stem canker and black scurf of potato caused by Rhizoctonia solani (telemorph: Thanetephorus cucumeris ). Disease resistant plants can be generated by irradiated application. By irradiating the plant explants, some radicals and biochemical compounds can be generated in cells. In this study, in-vitro cultured expiants from potato cv. Alonso were irradiated with gamma rays with five different doses (22, 33, 54, 57 and 109 Gy). After four sub-cultures in MS media, irradiated plants were inoculated with Rhizoctonia solani and potato plants were cultured at 24 ± 1°C in climate room conditions. The survival rates of the plants were determined after 15 days. Some parameters such as plant size, leaf number and number of plant nodes were recorded and compared with control groups. The highest survival rate of the plants (42%) was determined at 22 Gy and 109 Gy doses (42%) and the lowest survival rate of plants (20%) was determined in the positive control group (P<0.05). The highest number of plant nodes and number of leafs were determined at 54 Gy doses and maximum plant size was determined at 109 Gy doses.

In this study, the aim was to examine the effects of three different compatibilizers on the recycled polyethylene/ thermoplastic starch (r-LDPE/TPS) blends which are used in producing garbage bags. Polyethylene-Grafted-Maleic Anhydride (PEgMAH), maleic-anhydride modified ethylene propylene rubber (EPMgMAH) and ethylene maleic anhydride copolymer (PEMAH) were selected as the compatibilizers. r-LDPE/TPS blends with or without compatibilizer were prepared by using a twin screw extruder and characterized by means of mechanical, thermal, structural and morphological analyses. It was found that tensile strength values increased with the addition of PEgMAH but decreased with the addition of EPMgMAH. Elongations at break values of the r-LDPE/TPS blends were significantly improved by using PEgMAH and EPMgMAH. Tm and Tc values have slightly affected by the compatibilizer usage in the DSC analysis. In addition, the better interfacial interaction was observed for the compatibilized blend with the PEgMAH and EPMgMAH during the SEM analysis. It was concluded that PEgMAH and EPMgMAH showed mainly changed results in elongation at break values and this is the important parameter in the packaging industry.

The liquid–liquid equilibrium (LLE) data for a ternary system {methyl eugenol + linalool +1-ethyl-3-methylimidazolium hydrogen sulfate [EMIM][HSO 4 ]} (Meu-Lin-IL) were measured at 298.2 K and atmospheric pressure. The Othmer–Tobias correlation was used to verify the reliability of the experimental tie-line data. The solubility curves were obtained using the cloud point titration indicating the liquid-liquid equilibrium of the ternary system was in Type II class where two immiscible curve pairs were attained. Distribution coefficients, separation factors and selectivity were calculated for the immiscibility regions. The calculated results were compared with the experimental data. Characterization studies were performed by Fourier transform infrared spectroscopy (FTIR), thermal gravimetric analysis (TGA) and proton nuclear magnetic resonance spectroscopy ( 1 H-NMR) techniques.

We report a ‘green’, simple and efficient approach for the production of graphene oxide (GO) by ultrasonic assisted electrochemical exfoliation of graphite rods, and by using Improved Hummers’ graphene oxide (IGO) as an electrolyte. The effects of applied bias, electrolyte concentration and the duration of the electrochemical exfoliation on the quality of the GO nanosheets were investigated. The produced graphene oxide with a high yield (> 48%), and the lowest defect was obtained in the ultrasonic assisted electrochemical exfoliation performed at 0.05% IGO mass percent in DI water and 50 V applied bias for 1 hour at room temperature. The structural, morphological and physical properties of the obtained nanostructures were analyzed by XRD, Raman, FESEM, STEM techniques and thermal conductivity analysis, respectively. The characteristic Raman bands were observed at 1354 cm -1 and 1590 cm -1 for the prepared GO nanosheets. The produced graphene oxides exhibited a lateral dimension of 3-7 μm revealed by field emission scanning electron microscopy (FESEM). It was observed that the thermal conductivity enhancement of 14.95% was obtained for GO, which was higher than the other IGO nanofluid (7.64%) with respect to DI water at 20 o C.

In the course of biological properties of quinone derivatives, the N(H)-, S- and S,S-substituted-1,4-naphthoquinones were synthesized by reactions of 2,3-dichloro-1,4-naphthoquinone with different amines (2-morpholinoaniline, tert-butyl 4-aminobenzoate, 4-tert-butylbenzylamine, N-(3-aminopropyl)-2-pipecoline, 2-amino-5,6-dimethylbenzothiazole, N,N'-diphenyl-p-phenylenediamine) and thiolat (sodium 2-methyl-2-propanethiolate). All new products were characterized by MS-ESI, UV-Vis, FT-IR, 1 H NMR, 13 C NMR. The antiproliferative activities of these compounds on human cervical cancer (HeLa) cells were evaluated by MTT (3-[4,5-dimethylthiazol-2-yl]-2,5-diphenyl tetrazolium bromide) assay. Although all derivatives inhibited cell growth, the most active compound was 2-(tert-butylthio)-3-chloronaphthalene-1,4-dione 5 (IC 50 =10.16 μM) against the HeLa cells.

The mechanism of the adsorption and grafting of diazonium cations onto the surface of graphyne and graphdiyne was investigated using Density Functional Theory (DFT). The adsorption energy (both in vacuum and water as solvent) of the phenyl diazonium cation was evaluated at three different positions of the graphyne and graphdiyne surface. Moreover, the lowest energy adsorption sites were used to calculate and plot Non-covalent Interactions (NCI). The Bond Dissociation Energy (BDE) results (up to 66 kcal/mol) for the scission of the phenyl group support the remarkable stability of the grafted layer. As both of these materials are non-dispersible in aqueous solution, in this work through the use of Molecular Mechanics (MM) and Molecular Dynamics (MD) we explored also the effect of the grafted substituted aryl groups derived from aryldiazonium salts onto the solvation properties of these materials.

The electrochemical grafting of the “ in-situ ” prepared diazopyridinium salt have permitted the attachment of pyridine moieties onto platinum and glassy carbon surfaces. The modification of the electrode surfaces is observed by a redox probe. The ability of the film for the complexation of copper (II) ions is demonstrated by square wave voltammetry. After 45 min accumulation of copper (II) ions onto the grafted electrode surfaces, the electrode signal obtained by square wave voltammetry measurement served to discriminate the adsorbed heavy metal ions. Such measurements showed that the grafted pyridine has the ability to display complexing behavior toward some heavy metal ions. DFT calculations support a strong binding of the pyridine moieties onto the Pt surface. The most favorable complexation mode of copper (II) ions as suggested from DFT is the bidentate complex. This strategy is vital in constructing a wide range of different electrochemical sensors.

Electrospinning is a common technique used for the production of nanofibers, and it is based on the fact that the electrically charged liquid polymer is positioned in a continuous fiber form on a grounded surface. Grape seed is rich in phenolic compounds and can be used as a dietary supplement or as a natural antioxidant source in diet. In this study, grape seed extract of Burdur Dimrit variety ( Vitis vinifera L .) was electrospun with gelatin, polyvinyl alcohol (PVA) and PVA/β-cyclodextrin polymers to produce nanofibers with antioxidant activity. The aim of this study was to determine the effect of the electrospinning process on the total antioxidant activity and total phenolic contents of electrospun polymers with grape seed extracts. Total antioxidant activity of samples (by ABTS and DPPH assays) and total phenolic contents (Folin–Ciocalteu method) were determined before and after the electrospinning process of polymers with grape seed extract. Electrospinning with gelatin polymer decreased the antioxidant activity (ABTS assay) of nanofibers containing grape seed extract by 65% and their total phenolic contents by 7%. However, electrospinning treatment with PVA and PVA/β-cyclodextrin had no effect on the total antioxidant activity (ABTS and DPPH) and total phenolic substance contents of grape seed extract nanofibers.

Trepel is the local name for a mixture of diatomaceous earth and clay minerals. It represents a greyish, soft, very light, weakly cemented, fine biogenetic sedimentary rock. The studied material is taken from the vicinity of Bitola city (Republic of Macedonia). Here, trepel was treated up to three temperature intervals (800, 1000 and 1200C) for a period of 1 hour. The X-ray powder diffraction results indicate the presence of both an amorphous phase and the following crystalline phases: quartz, feldspars (plagioclase), mica (muscovite) and chlorites. The results of SEM analysis revealed skeletons of alga Diatomeae with nano-pores. By thermal treatment of the samples, a gradual change in color as well as higher bulk density and compressive strength was observed. The increase of the temperature, in addition, affected the mineralogical composition and increased the presence of the amorphous phase (aluminasilicate glassy phase). SEM results of the thermally investigated samples depicted morphological changes expressed by shrinkage of the pore diameters in comparison to the initial material. The major and minor constituents were established by chemical analysis revealing the following chemical composition of raw trepel: SiO 2 (63.65 wt%), Al 2 O 3 (11.76 wt%), Fe 2 O 3 (5.93 wt%), MnO (0.13 wt%), TiO 2 (0.63 wt%), CaO (1.42 wt%), MgO (2.22 wt%), P 2 O 5 (0.11 wt%), K 2 O (1.63 wt%), Na 2 O (0.92 wt%), LOI (11.50 wt%).

Filamentous green algae (FGA) frequently forms dense mats which can be either mono- or polyspecies. While various defense mechanisms of competition in algae are known, little is known about the interactions between different species of FGA. An experiment in controlled laboratory conditions was conducted to gather data on the changes in amino acids (AA) concentrations in FGA species in the presence of exudates from different other species. The aim of the present study was to identify the AA whose concentrations showed significant changes and to assess if the changes could be adaptation to stress conditions. The major constituents of the AA pool in Cladophora glomerata, C. fracta and Rhizoclonium sp. were Glutamic acid (Glu), Aspartic acid (Asp) and Leucine (Leu). In response to chemical stress, that is the increasing presence of exudates, a significant increase in the concentrations Proline (Pro) and Tryptophan (Trp) was noted. The increase in Proline levels was observed in C. fracta and Rhizoclonium in response to chemical stress induced by C. glomerata exudates. As the concentration of exudates increased in the medium, there was a progressive shift in the pattern of AA group in FGA.

This study examines the effect of a separate static magnetic field (SMF) and algal extract and their synergistic effect on soybean seeds germination. To our knowledge, this is the first time these kinds of factors were used for the biostimulation of soybean seeds germination. Soybean – Glycine max (L.) Merrill variety ‘Merlin’ was used in the present study. The exposure of seeds to the magnetic field was applied for 3, 6 and 12 min. The algal extract, produced from a freshwater green macroalga – Cladophora glomerata using an ultrasonic homogenizer, was used directly to the paper substrate at a dose of 10%. The highest germination ability of soybean seeds was observed in a group, where the magnetic field (12 min.) was used together with 10% of algal extract. However, it was very low – only 21%, which may have resulted from the seed dormancy. Future experiments on soybean seeds are required to confirm the stimulation effect of the magnetic field (various induction values) and algal extract on seeds germination.

This paper presents the results of fluorescence-based analysis of homogeneity of five multicomponent granular mixtures. Analyses were performed using solutions of selected substances capable of emitting light following UV irradiation, namely Tinopal 0.03% and Rhodamine B 0.01%. Mixtures were spiked with the key component consisting of maize grains coated with the fluorescent solution. The tracer content was determined on the basis of computer image analysis, and the results were compared to those obtained using the traditional weighing method. On this basis, the proposed method was verified and assessed for applicability in estimating the homogeneity of mixtures comprised of 8, 10, 11, 14, and 20 components. The results suggest that both Tinopal and Rhodamine B may be used to estimate the tracer content in the tested mixtures.

The agricultural usability of bio-fertilizers, particularly including microbiological seed vaccines meet the recommendations for integrated protection/cultivation applicable in Poland. Combined vaccination seeds with Rhizobium bacteria together with endophitic bacteria from the group of Plant Growth Promoting Rhizobacteria (PGPR), increase the efficiency of biological nitrogen fixation and therefore stimulate the development and yielding of legume crops. This hypothesis was verified in a series of field experiments with white lupine conducted between 2016 and 2018 at Złotniki, Poland. The one-factor experiment consisted of different variants of inoculation including: seeds uninoculated, inoculated with nitragine, nitroflora, Pseudomonas fluorescens strain, Bacillus subtillis strain and seeds co-inoculated with Rhizobium from nitragine or nitroflora + Pseudomonas fluorescens , or + Bacillus subtillis . The experiment showed a positive response of white lupine to all tested seed vaccinations. The highest seed yield was found after seed inoculation with Rhizobium bacteria (from nitragine) and with co-inoculation Rhizobium with Pseudomonas fluorescens . The results indicated that plant height, the development of aboveground parts and roots as well as root nodules and the setting of pods and seeds on the plant increased significantly after seed co-inoculation of Rhizobium derived from the preparation of nitragine with Pseudomonas fluorescens , as compared to the control object without vaccination. A generally positive correlation was found between the number of root nodules, dry mass of nodules and yield, and an especially significant strength of this relationship was found in variant with co-inoculation Rhizobium with Pseudomonas fluorescens .

The research aimed to assess the effect of whole lyophilized apples added to flax oil or flax ethyl esters for oxidation processes and fatty acid profiles. The samples were washed with nitrogen and sealed in PE pouches. The analyses were performed on day 0 and afterwards on 7th, 14th, 28th, 56th and 84th day of storage. The antioxidant capacity was determined by stating in the samples DPPH, ABTS •+ , and FRAP. Fatty acid profiles of the test samples were analyzed using GC-MS. The addition of lyophilized apples did not limit the decrease in C18: 3, n-3 after storage. The reduction of free radicals (ABTS, DPPH) was the lowest in samples with ethyl esters mixed with lyophilized apples rather than in the case of specimens that were a mixture of flax oil and lyophilized apples. The addition of lyophilized apples limited the decrease of IV and PV in ethyl esters, and in the case of flax oil AV. Obtained data show the possibility of wider usage of apple for the improvement of stability of the ethyl esters or flax oils and at the same time there are the real possibilities of the development of such kinds of preparations for the feeding industry.

This paper discusses the effect of the utilization of Bacillus megaterium in the microbial solubilization process where poultry bones or ash were used as a source of renewable phosphorus. The process was performed in a large scale laboratory. The pH of the solution decreased during one-week solubilization, which had a direct influence on the increased concentration of phosphorus determined in the solution. It was proved that the phosphorus concentration in the solution was significantly correlated with the biomass concentration and pH. The trial allowed verification of the suitability of the method to prepare two P fertilizers: one based on poultry bones and one on ashes. The elemental analysis of their composition suggests that the bones are a P-bearing resource with properties better than ash. That enables for more efficient scaling-up the solubilization although the concentration of total phosphorus was comparable in both cases. The total amount (100%) of phosphorus was present in a form available to plants in the formulation based on the poultry bones, while 64% of plant available phosphorus was present in the formulation based on the ash. The concentration of Cd was significantly lower in the case of fertilizer based on bones with respect to ash.

The potential toxic elements (Cu, Zn, Pb, Ni, Fe, Cr, Cd, Mn and Hg) were accumulated from rice grains and soil from an Ugbawka farm, Enugu State, Nigeria, which were determined to evaluate the potential health risk to rice consumers. The mean levels of metals found in soil (mg/kg) were as follows: Ni (0.57±0.24), Pb (2.44±0.17), Zn (3.35±2.05), Cu (0.71±0.33), Mn (37.72±10.97), Fe (13 856.6±31.43), Cr (2.51±0.98), Cd (0.51±1.36), and Hg (0.02±0.38); however metals found in rice grains (mg/ kg) were: Ni (0.81±0.72), Pb (0.94±0.70), Zn (8.22±2.97), Cu (0.59±0.42), Mn (13.30±4.56), Fe (13.28±0.73), Cr (15.00±10.00), Cd (0.36±0.07), and Hg (0.002±0.23). A small percentage (2.5%) of the soil samples were above the Chinese Maximum Allowable Concentration for cadmium in soil while cadmium and lead levels in the rice grains were above WHO permissible limit. Pearson’s correlations showed significant correlations amongst some metal pairs in soil and grains showing similarity in origin. The estimated daily intake of Pb was higher than the safety levels given by JECFA. Hazard Quotient for Pb and Total Hazard Index of all the metals were above one. This indicates possible potential health risk and adverse effect resulting from consumption of rice from Ugbawka farm.

Phosphate(V) ions were recovered from wastewaters of different chemical compositions in a continuous reaction crystallization of struvite. Two real wastewaters were represented by an effluent sample from the phosphorus mineral fertilizer industry and by liquid manure derived from a cattle-breeding farm. Two other wastewaters were prepared under laboratory conditions. Impurities present in the wastewaters caused the precipitation of solid products of distinctly different quality. The mean size of struvite crystals varied from ca . 18 to ca . 40 μm. Homogeneity within their populations, quantified by the coefficient of variation CV , varied from satisfactory ( CV ca . 75%) to unfavorable ( CV ca . 100%), which resulted in the elongation of necessary filtration time. Calcium ions in wastewater precipitated as amorphous hydrated calcium phosphates ACP. Their content in the products varied from 33.4 up to 73.1 mass %. Also 28.32 – 32.74 mass % of P 2 O 5 , 6.35 – 14.12 mass % of MgO and 4.35 – 16.94 mass % of CaO were confirmed in the products, together with hydroxides of some metals and salts of other impurities. Based on the chemical composition of the products derived from the investigated wastewaters, their application in agriculture as valuable mineral fertilizers is recommended.

Heterogeneous catalytic processes have for years been of crucial importance in the chemical industry, while biocatalitic processes have become more and more important. For both types of the processes the existence of zones without reactants were reported. Despite the fact that the dead zone can appear in real processes relatively often, the most important problem in practice is the real size of a dead zone inside a catalyst pellet or the real depth of penetration reagents in a biofilm and this is still unsolved. The knowledge of the parameters and some information about the process can allow improvement in yield, and selectivity, reduce consumption of catalyst by reducing the bed size etc. Presented in this work is a simple method of predicting the size of the inactive core of a uniformly activated catalyst pellet. The method is based on a simple mathematical model of catalyst pellet with inactive pellet centre and experimental investigations.

Syntheses of oligoetherols with a 1,3-pyrimidine ring and boron atoms using 6-aminouracil, ethylene carbonate and boric acid has been proposed. The structure of the obtained products were determined by instrumental methods (IR, 1 H-NMR and MALDI-ToF spectra). The physicochemical and thermal properties of oligoetherols were examined. The products were characterized by high thermal stability. Based on the tests performed, it was found that oligoetherols obtained from 6-aminouracil, boric acid and ethylene carbonate are suitable for the manufacturing of polyurethane foams with improved thermal stability and reduced flammability.

Coke oven liquor is one of the most contaminated liquid streams generated by the coal processing industry, thus its proper treatment and utilization is crucial for sustainable and environmentally neutral plant operation. The conventional wastewater treatment process comprises of chemical and biological processes. Within the current research the detailed role of chemical treatment is described. Commercially available iron-based coagulants (PIX100, PIX100COP, PIX113, PIX116) were tested to understand their removal efficiency and impact on the stream parameters. The influence of iron dose in the range of 300-500 mgFe/L on the process performance was also examined. It was found that the main role of chemical treatment was to bind toxicants harmful to activated sludge microorganisms, i.e. free and complex cyanides and sulphides. Among the tested iron-based conventional coagulants ferrous salts were more efficient than ferric salts. It was also observed that efficiency of the process strongly depended on wastewater properties (especially in regard to pH, which should be in the range of 9-10) and the coagulant selection needed to be done individually for a given wastewater type. The removal rates of particular contaminants were diversified and for free cyanides, complex cyanides and sulphides they were in the range of 23-91%, -156-77% and -357-98%, respectively. The expected, simultaneous removal of chemical oxygen demand (COD) during the treatment was not observed and even the parameter value increased after the process due to probable formation of compounds less vulnerable to oxidation.

The constant presence of parabens in natural surface waters has raised a growing concern of the potential long-term toxic effects that parabens may have in wildlife, mainly as endocrine disruptors. The present report describes the results of a study in which different photocatalyzed systems, such as photo-Fenton, Fenton, UV-H 2 O 2 , UV-TiO 2 and UV-TiO 2 -H 2 O 2 , were applied to the removal of these recalcitrant pollutants in some surface waters, including natural (e.g. rivers) and man-made (e.g. reservoirs and wastewater treatment plants). Degradation of four widely-used parabens (methyl-paraben, ethyl-paraben, propyl-paraben and butyl-paraben) was analyzed. Experimental results reveal that the most efficient method to combat these emerging pollutants was photo-Fenton. When this process was optimized, optimal removal efficiency was attained using doses of H 2 O 2 and Fe(II) equal to 2.92·10 −4 mol dm -3 and 1.85·10 −5 mol dm -3 , respectively. It is also worth noting that the removal rate of these contaminants is slower in natural waters. The results suggest that the photo-Fenton process is promising and maybe an adequate technology for the treatment of these persistent contaminants.

As a result of increased healthcare requirements and the introduction of genetically modified foods, the problem of allergies is becoming a growing health problem. The concept of allergies has prompted the use of new methods such as genomics and proteomics to uncover the nature of allergies. In the present study, a selection of 1400 food proteins was analysed by PLS-DA (Partial Least Square-based Discriminant Analysis) after suitable transformation of structural parameters into uniform vectors. Then, the resulting strings of different length were converted into vectors with equal length by Auto and Cross-Covariance (ACC) analysis. Hierarchical and non-hierarchical (K-means) Cluster Analysis (CA) was also performed in order to reach a certain level of separation within a small training set of plant proteins (16 allergenic and 16 non-allergenic) using a new three-dimensional descriptor based on surface protein properties in combination with amino acid hydrophobicity scales. The novelty of the approach in protein differentiation into allergenic and non-allergenic classes is described in the article. The general goal of the present study was to show the effectiveness of a traditional chemometric method for classification (PLS–DA) and the options of Cluster Analysis (CA) to separate by multivariate statistical methods allergenic from non-allergenic proteins.

The present investigation indicates hidden relationships between the several clinical parameters usually monitored on prolactinoma patients using non-hierarchical cluster analysis. The major goal of the chemometric data mining is to offer a possible mode of optimization of the monitoring procedure by selecting a reduced number of health status indicators. The intelligent data analysis reveals the formation of three patterns of prolactinoma patients each one of them described by a set of clinical parameters. Thus, better strategies for considering patients with this diagnosis could be developed and clinically applied.

In this study, an interpretation and modeling of the soil quality by monitoring data using an intelligent data analysis is presented. On an annual average, values of 12 soil surface chemical parameters as input variables were determined at 35 sampling sites as objects of the study in the region of Burgas, Bulgaria are used as input data set. Cluster analysis (hierarchical and non hierarchical methods abbreviated as HCA and K-means, respectively) and the principal components analysis (PCA) are used as chemometric tools for data interpretation, classification and modeling. Additionally, principal components regression analysis (APCS approach) is introduced to determine the contribution of each identified by PCA latent factor to the total concentration of the chemical parameters. The formation of different patterns of similarity between the variables or the objects of the study by cluster analysis is interpreted with respect to the risk of pollution or spatial conditions. The input data set structure is analyzed by PCA in order to determine the most significant factors responsible for the data structure. Four major patterns of similarity between the chemical parameters measured are found to define soil quality in the region related to industrial and agricultural activity in the region since the objects are separated into two patterns corresponding to each geographical location of the sampling sites. Analogous results were obtained by the use of PCA where the level of explanation of the data set structure is quantitatively assessed by the total explained variance of the system. The apportionment model indicated that the contribution of latent factors (sources of pollution) to the total chemical concentration of the species tested – pH, soil nutrition components, total and organic carbon content and toxic metals.

Micrometer-sized silica spheres coated with a layer of Cr(VI) imprinted methylimidazolium ionic liquid were synthesized and applied for fast and selective determination of leachable Cr(VI) in fabrics. The silica cores were synthesized via original seeded growth procedure. Formation of ionic liquid layer onto their surface was simultaneously combined with CrO 4 2− imprinting. The sorbent characterization was accomplished by SEM/ EDS, elemental microanalysis, and thermogravimetry. Excellent separation of Cr(VI) from Cr(III) was achieved at pH 3 for 10 minutes in a batch mode. A mixture of ascorbic and nitric acids was found to be the most efficient eluent. The adsorption equilibrium data were best represented by the Langmuir isotherm model. The sorbent was applied for quantification of Cr(VI) in textile extracts in accordance with international standard ISO105-E04. The analytical procedure developed (LOD 0.015 μg/g (measured by ETAAS), RSD 3−8% for concentration levels of Cr(VI) 0.015-0.5 μg/g) completely meets the requirements of the international textile regulations.

The mixed metal oxides NiFe 2 O 4 and Zn 0.5 Ni 0.5 Fe 2 O 4 with a spinel-like structure, pure and modified with the lanthanide ions Eu(III) and Tb(III), were prepared by a sol-gel process in which propylene oxide was used as a gelling agent and then tested as photocatalysts. The photocatalytic activity was studied under polychromic visible light irradiation (halogen lamp) for the decomposition of the water pollutant Malachite Green in model solutions which were prepared under laboratory conditions. The modified samples showed a better activity under visible light irradiation than the pure samples. The highest activity under visible light irradiation was observed for Zn 0.5 Ni 0.5 Fe 2 O 4 that was modified with 5 wt. % Eu(III) or Tb(III), and which showed the positive effects of the doping ions. Based on the cartographic data for the smooth and equal distribution of Tb(III) on the surface of Zn 0.5 Ni 0.5 Fe 2 O 4 particles, the surface processes may have influenced the photocatalytic activity. The energy band gap of the samples was calculated, showing somewhat lower values for the doped samples than the pure ferrites.

The functional characteristics of a new eosin dye with biocidal quaternary ammonium group ( E ) were studied in aqueous solution and in organic solvents of different polarity. The spectral properties depend on the nature and polarity of the respective solvents. The antimicrobial activity of compound E has been tested in vitro against Gram-negative bacteria ( Escherichia coli, Acinetobacter johnsoni and Pseudomonas aeruginosa ), Gram-positive bacteria ( Sarcina lutea and Bacillus cereus ) and the antifungal activity was tested against the yeasts Candida lipolytica in solution and after treated on cotton fabric. Broth dilution test has been used for quantitative evaluation of the antimicrobial activity of compound E against the model strains. The ability of compound E to inhibit the growth of model Gram-negative P. aeruginosa strain was assessed after 16 h of incubation in presence and absence of light. These experiments were conducted in planktonic format in solution and on cotton fabric. The results suggest that the new compound is effective in treating the relevant pathogens with better results being obtained by irradiation with light. In this case the quaternary ammonium group promotes the binding of eosin Y moiety to the bacterial cell wall thus accelerating bacterial photo inactivation.

The present research is focused on evaluation of complexation ability of Monensic acid (MonH) towards La 3+ and Nd 3+ ions. Changes in the SRCD spectrum of Monensinate anion were monitored upon addition of lanthanide(III) ions. The antibiotic undergoes formation of one neutral ([Ln(Mon) 3 (H 2 O) 3 ]) and two positively charged complex species of composition [Ln(Mon) 2 (H 2 O) 2 ] + and [Ln(Mon) (H 2 O)] 2+ , respectively (Ln = La 3+ , Nd 3+ ). Neutral complexes were isolated as fine powders and were characterized by IR, FAB-MS and ESI-MS. It is assumed that Monensin acts in bidentate coordination mode via monodentate carboxylate moiety and hydroxyl group, both located at the opposite ends of antibiotic molecule. Activity of Monensic acid and [Ln(Mon) 3 (H 2 O) 3 ] to decrease visible bacteria growth of B. subtilis, S. Lutea and B. mycoides was evaluated by agar hole diffusion method. Results showed that complexation of lanthanide(III) ions to Monensin enhances the activity of non-coordinated ligand. Antitumor efficacy of compounds was assayed on human triple negative breast cancer and transplantable sarcoma in rat. The cytotoxicity was accessed by MTT test, NR uptake, CV assay and double AO/PI staining. Experimental data revealed that Monensic acid and [Ln(Mon) 3 (H 2 O) 3 ] possess concentration- and time-dependent activity, and express promising cytotoxic properties against human and rat permanent cancer cell lines. Graphical Abstract

The dynamics of eroded and retained soil organic carbon (SOC) may provide critical clues for evaluating impacts of soil erosion on global carbon cycling. Distribution patterns of soil aggregates in eroded and deposited environments are shaped by selective transport of water erosion. Therefore, detecting the pattern of SOC mineralization in soils dominated by aggregates of different sizes is essential to accurately explore the dynamics of eroded and retained SOCs in eroded and deposited environments. In the present study, the characteristics of SOC mineralization and its relationship to microbial dynamics in subtropical red soils dominated by different sizes of soil aggregates were investigated. The results demonstrated that the SOC mineralization rate of soils dominated by graded aggregates were significantly different, indicating that SOC mineralization in eroded and deposited environments are shaped by selective transport of water erosion. The highest mineralization rate was found in soils containing 1-2 mm aggregates at the initial stage of the experiment, and the daily average mineralization rate of the < 0.5 mm aggregates was significantly higher than that of the 2-3 mm aggregates. During the incubation, fungal communities exhibited a low dynamic character, whereas the composition of bacterial communities in all treatments changed significantly and had obvious differences relative to each other. Bacterial species diversities and relative abundances in the <0.5mm and the 2-3mm aggregates showed opposite dynamic characteristics. However, there were no statistical interactions between the dynamics of microbial communities and the changes of SOC or soil water content. Changes in bacterial community structure had no significant impact on the mineralization of SOC, which might be related to the quality of SOC or the specific utilization of carbon sources by different functional groups of microorganisms. Mineralization of the eroded and retained SOCs with specific qualities in relation to their functional microorganisms should be further explored in the future.

An aptasensor for the detection of ochratoxin A (OTA) in environmental samples was developed. It displayed high sensitivity and good selectivity. Factors such as specific binding between a FAM (5-carboxyfluorescein)-labeled aptamer (f-RP) and OTA, and a magnetic property of a streptavidin magbeads-modified capture probe (bm-CP) resulted in aptasensor’s linear relationship between fluorescence intensity and the concentration of OTA. This characteristic is present at the OTA concentration ranges from 0.100 μM to 25.00 μM with a LOD (limit of detection) of 0.0690 μM. The bm-CP can be reused through melting, washing and magnetic separation, which contributes to cost reduction. In addition, the proposed method is simple and detection process is fast. The aptasensor can be used in real samples.

N ’-(5-nitro-2-oxoindolin-3-ylidene) thiophene-2-carbohydrazide (NH) was successfully synthesized as a ligand, then grafted onto the surface of mesoporous silica SBA-15 via an aminopropyl bridge. The successful grafting of ligand NH onto the hybrid nanomaterial ( SBA-15/APTES-NH ) was confirmed by infrared spectroscopy. On excitation at 276 and 370 nm, the ligand NH and the hybrid nanomaterial SBA-15/APTES-NH showed a strong and narrow emission peak centered at 533 nm. By dispersing SBA-15/APTES-NH in an aqueous solution containing metal ions, the resulting solid materials showed a higher binding of NH sensing site to Fe 3+ ions as compared to the others with a quench of the emission intensity up to 84%. This result showed that the hybrid nanomaterial is a potential chemosensor that requires development for the detection of metal ions.

Cellulose nanofiber (CNF) gel has been obtained from TEMPO-oxidized differently treated lower part of empty fruit bunches (LEFB) of oil palm. Three kinds of materials were initially used: (i) α-cellulose, (ii) raw LEFB fiber two-times bleaching, and (iii) raw LEFB three-times bleaching. The obtained nanofibers (CNF1, CNF2 and CNF3, respectively) were then characterized using several methods, e.g. FT-IR, SEM, UV-Visible, TEM, XRD and TGA. The LEFB at different levels of bleaching showed that the Kappa number decreased with the increase of the bleaching levels. The decrease of lignin and hemicellulose content affected the increase of the yield of fibrillation and optical transmittance of CNF2 and CNF3 gels. The FT-IR analysis confirmed the presence of lignin and hemicellulose in the CNF2 and CNF3 film. Based on TEM analysis, the lignin and hemicellulose content significantly affected the particle structure of CNFs, i.e . CNF1 was found as a bundle of fibril, while the CNF2 and CNF3 were visualized as individual fibers and interwoven nanofibril overlapping each other, respectively. The XRD data of the CNF’s film showed that CNF2 and CNF3 have a lower crystallinity index (CI) than CNF1. The presence of lignin and hemicellulose in the CNFs decreased its decomposition temperature.

An experimental and computational study was carried out for encapsulation of vitamin C in sesame, Sesamum indicum L., liposomes. Based on computational studies, the packing parameter (P) of sesame phospholipids was found to be 0.64 ± 0.09. This indicates that the molecular shape of sesame phospholipids is in the form of truncated cone and, in aqueous solution, it self-assembles to form liposomes. In the liposomes, no chemical interaction was observed between phospholipid molecules and vitamin C. However, medium-strength hydrogen bonds ( E i ) from -87.6 kJ/mol to -82.02 kJ/mol with bond lengths ranging from 1.746 Å to 1.827 Å were formed between vitamin C and phospholipid molecules. Because of this weak interaction, vitamin C gets released easily from the inner regions of liposome. Empirical experiments were performed to confirm the computation outcomes, where sesame liposomes were found to encapsulate almost 80% of vitamin C in their interior cavities. During the 8 days storage, release of vitamin C occurred gradually from the liposome system, which signifies week interactions in the liposome membranes amongst phospholipid molecules and vitamin C.

Lightweight geopolymer concrete was synthesized using fly ash as an aluminosilicate source with the addition of a pore-forming agent. The synthesis of a geopolymer was conducted by employing various volume ratios of geopolymer paste to the foaming agent: 1:0.50, 1:0.67, 1:0.75, 1:1.00, 1:1.33, 1:1.50, and 1:2.00, while the ratios of aluminum powder weight percentage to the fly ash weight varied between 0.01 - 0.15 %wt. The results showed that the higher foaming agent content, the lower the compressive strength and density of the geopolymer. The ratio of the geopolymer paste to the foaming agent, 1:1.33 was found to produce the strongest light weight geopolymer whose compressive strength and density were 33 MPa and 1760 kg/m 3 , respectively. With the addition of 0.01%wt aluminum powder, the geopolymer specimen showed the highest compressive strength of 42 MPa and density of 1830 kg/m 3 , respectively. X-Ray Diffraction (XRD), Scanning Electron Microscope (SEM) and FT-IR were utilized to study the effects of foaming agent and aluminum powder addition onto the microstructure, surface morphology, and functional groups of the geopolymer. Both types of synthesized geopolymers have the potential to be developed in terms of compressive strength and density in the future.

The high surface area of mesoporous silica SBA-15 has been synthesized successfully by hydrothermal treatment with direct addition of PVA, triblock copolymer (P123) as a direct structure agent and tetraethyl orthosilicate (TEOS) as a precursor. The mesoporous silica SBA-15 have been characterized with nitrogen physisorption, scanning electron microscopy, Fourier transformed infrared spectroscopy, and x-ray diffraction. Measurement of nitrogen sorption indicated that with the addition of PVA, the surface area is increased but the pore volume and pore diameter is not significantly. The short time of hydrothermal treatment (20 h) and using x-ray diffraction, showed that the morphological structure of silica SBA-15 can be changed to a orthorhombic crystal system. The result of the FTIR and SEM-EDX characteristic indicated the functional groups and morphology of the SBA-15 with a narrow pore size distribution. The BET method has exhibited the largest surface area 1726 m 2 /g, pore volume 1.4 cm 3 /g, and pore diameter 3.2 nm. It can be suggested that the silica mesoporous SBA-15 will have potential application prospect in catalysis, storage, and adsorbent.

The unique properties of mesostructured cellular foam (MCF) silica such as, large pore size, continuous three-dimensional (3D) pore system and hydrothermal robust materialallow favorable conditions for incorporating active sites to produce modified MCF silica as catalysts, biocatalysts and adsorbents. Recently, the modified MCF silicas were reported to be efficient catalysts for the hydrogenation of phenylacetylene, heck coupling reaction of arylboronic acid, etc. Biocatalysts derived from modified MCF silicas were found to be a potential to convert glucose to gluconic acid, hydrolysis of N-benzoyl-DLarginine-p-nitroanilide (BAPNA) and casein, transesterification of racemic 1 phenyl- ethanol and hydrolytic, etc. Several separation processes such as CO 2 capture and adsorption of L-tryptophan, lysozyme and bovine serum were sucessfully conducted using adsorbents derived from modified MCF silicas. This paper reviews the synthesis of the MCF silica material and the incorporation of active sites or immobilization of enzymes in the MCF silica material. Additionally, a detailed understanding of the characterization of the modified MCF silicas, which includes pore size, active sites/enzymes sizes, amount of active sites/enzymes bound with the MCF silica, was also discussed to obtain their potentialities as catalysts, biocatalysts and adsorbents. The review also describes recent progress on the applications of the MCF silica.

The Ni-Al-NO 3 layered double hydroxide (LDH) compound has been intercalated with benzoate anion through an anion exchange process for amoxicillin drug adsorption. The purpose of this research is to synthesize Ni-Al-NO 3 , ion exchange with benzoate anion to form Ni-Al-Benzoate, and then applying it as an adsorbent of amoxicillin. The adsorption process was carried out using the batch technique. The materials synthesized in this study were characterized by Fourier Transform Infrared Spectroscopy (FT-IR), X-ray ray diffraction (XRD), and Thermogravimetric Analysis/Differential Thermal Analysis (TGA/DTA). The exchange of benzoate in Ni-Al-Benzoate LDH by amoxicillin was followed by UV-Vis spectrophotometry. The pH, LDH amount, and contact time are optimized. The adsorption of amoxicillin by Ni-Al-Benzoate is fit to the pseudo-second-order kinetics model, with an adsorption capacity of 40 mg/ g. The results showed that anion exchange was successfully carried out between benzoate anion and amoxicillin.

The synthesis of CoMo/Mordenite (CoMo/MOR) catalysts was conducted using a co-impregnation method at a various Co/Mo ratios. The produced catalysts were then characterized by X-ray diffraction, total acidity analysis, and scanning electron microscopy. The activity of the catalyst in a hydrotreatment reaction was evaluated by applying the catalyst as a reduced-catalyst to the hydrocracking (HC) reaction of anisole molecules. Analysis of the diffraction data using the Le Bail refinement technique showed that the metal phase was successfully impregnated into the MOR. In addition, increasing the metal content resulted in an increase in the acidity of the catalysts and changed the morphology of the catalysts from homogeneous to heterogeneous with larger particle size. According to the data of GCMS, it is known that the catalysts successfully removed methyl group of anisole molecules. Hydrotreatment reaction with the prepared-catalyst produced 4.77% of phenols. It is 122 % higher than the reaction with MOR catalyst.

Fossil fuel is the main energy resource in Indonesia with oil as the dominant fuel (44.1% of primary energy consumption) in 2017. But fossil fuel is not environmentally friendly and non-renewable. Thus, there is a need for alternative renewable fuels such as biodiesel. Biodiesel from nyamplung ( Calophyllum inophyllum L.) oil can provide a promising future as a renewable fuel resource. The used of CaO catalyst from eggshell waste is also profitable, and microwave radiation can help the biodiesel production process run more effectively. Optimization of parameters such as microwave power, catalyst concentration, and transesterification time was performed by using Box-Behnken design. Combinations between biodiesel production from nyamplung oil with CaO catalyst using microwave and treated with Box-Behnken design is considered a new and modern method with optimization of the parameters which affect the transesterification process. The result showed that at a microwave power of 325.24 W, a concentration of catalyst of 3.88%, and a transesterification time of 12.47 min can produce an optimal yield of biodiesel of 98.9079% with the reliability of 92.37%.

C 60 fullerene exhibits unique optical properties that have high potential for wide photo-optical applications. To analyze the optical properties of C 60 , its excitation and emission properties were studied using UV-Vis absorption and photoluminescence (PL) spectroscopy, which were performed in various, non-polar organic solvents such as toluene, xylene, and trichloroethylene (TCE). The C 60 solutions in toluene, xylene, and TCE displayed similar excitation bands at 625, 591, 570, 535, and 404 nm corresponding to A g → T 1u and A g → T 1g transitions. However, these bands differed from the solid C 60 observed by UV-Vis diffuse reflectance spectroscopy. The two emission band energies of C 60 solution in toluene and xylene were nearly the same (1.78 and 1.69 eV), whereas the C 60 solution in TCE was shifted to 1.72 and 1.65 eV. Because the polarity of TCE is higher than that of toluene and xylene, the PL spectrum of the C 60 solution in TCE was red-shifted. The PL spectroscopy had a better capability than UV-Vis absorbance spectroscopy to distinguish the different interactions between C 60 and the organic solvents due to their different solvent polarities.

In this study, composite materials consisting in HKUST-1 [Cu 3 (BTC) 2 ] (BTC: benzene 1, 3, 5-tricarboxylate) and an Indonesian activated natural zeolite (ANZ) from Klaten, Central Java, were successfully prepared and characterized. The purpose of this research was to determine the effect of the combination of these two materials on the characteristics of the composite as well as to determine its CO 2 gas adsorption ability. The composite HKUST-1-ANZ (ANZ@HKUST-1) was synthesized in two different techniques, i.e., solvothermal and sonication method. The obtained materials exhibited X-ray diffractogram characteristics of both HKUST-1 and ANZ. Fourier-transform infrared (FTIR) analysis showed a combination of peaks from HKUST-1 and ANZ, i.e. peaks assigned to carboxylate groups and bonds between Cu-O from HKUST-1, as well as N-H bending and SiO from ANZ. The addition of ANZ to HKUST-1 decreased its surface area and nitrogen sorption capacity. Application of the composites as CO 2 capture materials shows their CO 2 adsorption capacity is increased (ca. 12%) comparing to the initial materials. Graphical Abstract

The industrial oxidation of cyclohexane is currently performed with very low conversion level, i.e. 4-6% conversion and poor selectivity for cyclohexanone and cyclohexanol (K-A oil), i.e.70-85%, at above 150oC reaction temperature and above 10atm reaction pressure using molecular oxygen oxidant and homogeneous catalyst. Several disadvantages are, however, associated with the process, such as, complex catalyst-product separation, high power input, and low safe operation. Therefore, the oxidation of cyclohexane using heterogeneous catalyst oxygen oxidant from air at mild conditions has received particular attention. Aerobic oxidation of cyclohexane over ionic liquids modified cobalt/ZSM-5 (IL-Co/ZSM-5) in absence of solvents was developed in this article. The prepared catalysts were characterized by XRD, FT-IR, N 2 adsorption-desorption, SEM, TEM and XPS analyses. The influence of reaction parameters on the oxidation of cyclohexane was researched, such as the various catalysts, reaction temperature, reaction time, and the reaction pressure, on the process. Highly selective synthesis of KA oil was performed by aerobic oxidation of cyclohexane using ionic liquids modified cobalt/ZSM-5 (IL-Co/ZSM-5) as the catalyst in absence of solvents for the first time. A selectivity of up to 93.6% of KA oil with 9.2% conversion of cyclohexane was produced at 150℃ and 1.5 MPa after 3 h, with about 0.1 mol cyclohexane, C 7 mimHSO 4 -Co/ZSM-5 catalyst equal to 6.0 wt%, respectively. The induction period of oxidation was greatly shortened when the ionic liquid was supported on ZSM-5. The catalyst was easy to centrifuge and was reused after five cycles. It was found that both the characterization and performance of the catalysts revealed that both the presence of oxygen vacancies with incorporation of Co ions into the framework of ZSM-5 and the introduction of C 7 mimHSO 4 into the ZSM-5 leads to the both satisfactory selectivity and robust stability of the C 7 mimHSO 4 -Co/ZSM-5 heterogeneous catalyst.

Traditional water-in-oil drilling fluids are limited by their shear thinning behavior. In this article, we propose the synthesis of a thermal resistant quaternary ammonium salt gemini surfactant DQGE-I. This surfactant was synthesized using monomers such as N,N-dimethyl-1,3-propanediamine, organic acids and epichlorohydrin, as well as blocking groups such as N-vinylpyrrolidone (NVP). The prepared surfactant exhibited various advantages over traditional surfactants, including excellent thermal stability, good emulsifying and wetting capability. The use of these surfactants was shown to improve the compactness of emulsifier molecules at the oil/water interface, as well as the overall emulsificaiton effect. Laboratory studies revealed that water-in-oil emulsions prepared using DQGE-I showed high emulsion breaking voltage, low liquid precipitation and small and uniformly distributed emulsion drops. Highly thixotropic water-in-oil drilling fluids based on DQGE-I showed low viscosity, high shear rate and thermal tolerance up to 260 o C. Additionally, the proposed fluid was applied in 16 wells (including WS1-H2, GS3 and XS1-H8) in the Daqing Oilfield. Testing showed that DQGE-1 exhibited excellent rheological behavior and wall-building capability. The emulsion breaking voltage exceeded 1500 V, and the yield point/ plastic viscosity ratio exceeded 0.4. The use of this surfactant can help to solve problems such as high formation temperature and poor well wall stability.

For an increasing implementation of the low-temperature transportation in oilfield, it is urgent priority initially to study the physical and chemical properties to provide the vital technical support for the low-temperature transport of the polymer flooding. In this paper, the rheological behavior of polymer-containing fluid produced from the Daqing polymer flood were first studied for an adaptation of transportation under the oil’s freezing point temperature. The experiments progressed with different temperature, shear rate, water content and polymer concentration which have great impacts on the viscosity of the fluids produced aiming to find the phase transportation point for the application of the low-temperature transportation. It was displayed that a significant discontinuity in the viscosity occurs at some range of water content. Before the phase transition point, presented in W/O (water-in-oil) emulsion, the viscosity was lifted with the increase of the water content while after the phase transition point, forming the O/W (oil-in-water) type emulsion, the viscosity was dropped with an increase of water content. The phase transition points strongly depend on the polymer concentration in the fluids Produced. It was demonstrated that the phase transition points of polymer-containing fluids were 65%, 70%, 50%, 50% and 50%, corresponding to the polymer concentrations of 315mg/L, 503mg/L, 708mg/L, 920mg/L and 1053mg/L, respectively. The characteristics are attributed to the viscous polymer. The fluidity of the fluid produced was decreased with the increase of polymer concentration.

In order to analyze the feasibility of chemical softening on low rank coals, bituminous coal was collected from the Qianqiu mine in Henan Province, China, and soaked in water and alkaline solution for different lengths of time. The complete stress-strain and acoustic emission (AE) experiments on the coal samples under uniaxial compression were tested on the RMT-150B Rock Mechanics Testing System and DS2 series AE signal analyzer. The results showed that the coal samples soaked in the water and alkaline solution present different characteristics in the deformation and failure process. As we increase the soaking time, the uniaxial compressive strength and deformation degree of the soaked coal samples in the alkaline solution and water decreased by 42.7% and 94.8% respectively. In the loading test, an AE signal is generated in all coal samples and the maximum ringing count rate and AE energy rate are present near the stress maximum for a short time. Moreover, the ringing count rate and AE energy rate have a good consistency with the stress-strain of the coal samples. The cumulative ringing count of the two groups soaked in water and alkaline solution decreased by 51% and 89% compared to the original coal sample. However, the decreased degree of the samples soaked in the alkaline solution is much higher than that of those soaked in water and the results showed that the alkaline solution has a better softening effect on the coal sample. With the increase of the alkaline solution concentration, the contact angle decreased from 112.5° to 41°. Through microscope and scanning electron microscopy (SEM) analysis of the soaked coal samples, we found that the pores and fissures increased, the structure of coal became loose, and the mechanical strength decreased sharply after soaking in the alkaline solution, thus achieving a chemical softening effect.

With the purpose of studying the influence of NO/O 2 on the NO x storage activity, a Pt-Ba-Ce/γ-Al 2 O 3 catalyst was synthesized by an acid-aided sol-gel method. The physical and chemical properties of the catalyst were characterized by X-ray diffraction (XRD) and Transmission Electron Microscope (TEM) methods. The results showed that the composition of the catalyst was well-crystallized and the crystalline size of CeO 2 (111) was about 5.7 nm. The mechanism of NO and NO 2 storage and NO x temperature programmed desorption (NO-TPD) experiments were investigated to evaluate the NO x storage capacity of the catalyst. Pt-Ba-Ce/γ-Al 2 O 3 catalyst presented the supreme NO x storage performance at 350℃, and the maximum value reached to 668.8 μmol / g cat . Compared with O 2 -free condition, NO oxidation to NO 2 by O 2 had a beneficial effect on the storage performance of NO x . NO-TPD test results showed that the NO x species stored on the catalyst surface still kept relatively stable even below 350℃.

This research work presents the design of a mixture of SiO 2 /TiO 2 that increases the surface roughness and hydrophobicity of methyltrimethoxysilane (MTMS) coated glass. The deposition of SiO 2 , TiO 2 , and MTMS were conducted using a layer by layer dip coating technique. The SiO 2 /TiO 2 coating was derived from complete hydrolysis of tetraethylorthsilicate and titanium tetraisopropoxide. In order to evaluate and compare the performance of SiO 2 /TiO 2 /MTMS coated glass, the SiO 2 /SiO 2 /MTMS and TiO 2 /TiO 2 /MTMS were also fabricated. SiO 2 /TiO 2 /MTMS samples displayed the highest water contact angle. The topography of surfaces showed that SiO 2 /TiO 2 /MTMS exposed higher surface roughness with micro-nanoscale structures. The sequence of SiO 2 and TiO 2 influenced the water contact angle and the stability of the coatings. SiO 2 /TiO 2 /MTMS produced higher contact angle and stability than TiO 2 /SiO 2 /MTMS.

All around the world, patients with diabetes and the prevalence of its disease are currently growing. Due to these side effects of oral hypoglycemic agents and oxidative stress in complicating diabetes, there is growing interest in drugs, which possess dual function as both type II diabetes mellitus treatment and oxidative stress treatment. The objective of this research is to search effective antidiabetes and antioxidant bioactive compounds from the Myanmar medicinal plant Clausena excavata . The root part of C. excavata was successfully extracted with 95% ethanol and followed by column chromatographic separation technique. The structure of isolated pure compounds was elucidated by using methods of spectroscopic such as UV-Vis, IR, NMR and HRFABMS spectrometry. The α-glucosidase inhibition assay was performed against baker’s yeast and rat intestine (sucrose and maltase) α-glucosidases. The activity of isolated compounds’ antioxidant was measured by using DPPH assay. Among the tested enzymes, the two isolated compounds, which were dentatin ( 1 ) and heptaphylline ( 2 ), exhibited highest inhibitory on maltase enzymes with IC 50 values 6.75 and 11.46 μM; as positive control, acarbose (IC 50 , 2.35 μM) was utilized. Moreover, scavenging activity was found to be present upon seeing the result of antioxidant activity investigation of ( 1 ) and ( 2 ) (IC 50 values 2.66 and 1.55 mM), where ascorbic acid (IC 50 0.012 mM) was used as standard. Both compounds showed their antidiabetic and antioxidant activity with different fashion, especially exhibited strongest activity against on maltase α-glucosidase.

The gold immunochromatography assay (GICA), a new immunochromatography technique, uses a nitrocellulose membrane as a carrier and a colloidal gold-labeled antigen or antibody as a tracer (bioreceptor). This technology has many advantages over other immunoassays, including its simplicity, rapidity, cheapness, and the lack of a requirement for special training or expensive equipment, and it can be used to detect either antigens or antibodies. Therefore, we chose to develop this method for the diagnosis of candidiasis in Indonesia. The objective of the present study was to develop a diagnostic test for Candida albicans in rats using the GICA method. GICA bioreceptors were developed from biofilm antigens isolated from biofim Candida albicans grown on the surface of nitrocellulose membranes. The formation of biofilms was confirmed using scanning electron microscopy. Antigen levels as bioreceptors were optimized by using the immuno dot method. The samples to be analyzed were antibody serum, in the form of blood serum samples from heart mice that have been induced to become candidiasis. To this end, we optimized the antigen and antibody volumes necessary to make this diagnosis. The results show that the optimum concentration of antigen to be used in the test is 2.5 μg/μL and the optimum volume of antibody is 10 μL. The control rats produced a single red stripe on the control line and the candidiasis rat samples produced a double red stripe, with the bottom line being the control line and the upper line the test line. The test chip was successfully used for the diagnosis of candidiasis in rats and given the name “Candiday Kit.”. We anticipate that this test will be suitable for the diagnosis of candidiasis in humans

The disposal of residues while manufacturing Chinese medicine has always been an issue that concerns pharmaceutical factories. Phanerochaete chrysosporium was inoculated into the residues of Magnolia officinalis for solid-phase fermentation to enzymatically hydrolyze the lignin in the residues and thus to improve the efficiency of removal of the copper ions from residues for the utilization of residues from Chinese medicine. With the increase in activities of lignin-degrading enzymes, especially during the fermentation days 6 to 9, the removal rate of copper ions using M. officinalis residues increased dramatically. The rate of removal reached the maximum on the 14 th day and was 3.15 times higher than the initial value. The rate of adsorption of copper ions on the fermentation-modified M. officinalis residues followed the pseudo-second-order kinetics. The adsorption isotherms were consistent with the Freundlich models. The adsorption enthalpy was positive, indicating that it was endothermic and elevation in temperature was favorable to this adsorption process. The adsorption free energy was negative, implying the spontaneity of the process. The copper ions adsorbed could be effectively recovered using 0.2 M hydrochloric acid solution. After five successive cycles of adsorption-regeneration, the fermentation-modified M. officinalis residues exhibited a stable adsorption capacity and greater reusability. The M. officinalis residues fermented with P. chrysosporium are low-cost and environmentally friendly copper ions adsorbent, and this preparation technique realizes the optimum utilization of Chinese medicine residues.