Band 16, Heft 1

A modified confined catalyst with CeO 2 on the interior and CuO on the exterior surface of TiO 2 nanotubes (Ce-in-TNT-Cu-out) was prepared and investigated for the combustion of butane catalytically. Compared with the Ce-in-TNT and TNT-Cu-out, the Ce-in-TNT-Cu-out presents a higher activity for butane oxidation, with a conversion of 10% at 200°C and a conversion of 90%) at 300°C. XPS analysis indicates that more Ce(IV) and Cu(I) components exist in the Ce-in-TNT-Cu-out catalyst. It is proposed that electron transfer ability between encapsulated CeO 2 and loaded CuO is significantly enhanced by the confinement effect of the TiO 2 nanotubes, facilitating the formation and migration of active oxygen species in the catalyst. This result shows that modulating the electronic property of the active component can further improve the catalytic combustion performance of the confined catalysts. Graphical Abstract

The infectious diseases caused by various bacteria pose serious threat to human health. To solve this problem, antibacterial agents have been widely used in people’s daily life to deactivate or kill these bacteria. Among the antibacterial agents, ZnO is one of the most promising metal oxide antibacterial agents due to its non-toxic nature and safe properties. To expand its application, many composites of ZnO have been widely studied. Cellulose, as one of the most abundant biopolymers, has many merits like biodegradability, biocompatibility and low cost. Thus, many studies focus on synthesized cellulose/ZnO. The synthetic strategy includes both chemical and physical methods. Many of them have been shown that cellulose/ZnO composites have excellent antibacterial activity and are environment-friendly and have many applications for example food packing, antibacterial fibers and so on. This review mainly discusses the preparation methods of cellulose/ZnO and their effect on the morphology and properties.

Different cation-exchanged (K + , Na + & Ca 2+ ) nano-zeolites withi magnetite nanocomposites were synthesized and their suitability for drug loading was studied. Nanocomposites with different Fe 3 O 4 contents were synthesized by adding magnetic Fe 3 O 4 nanoparticles to the zeolite crystallization solution. The zeolite and its nanocomposites had high surface areas and enough adsorption capacity to load and release sufficient amounts of the chemotherapeutic doxorubicin. None or the zeolites or nanocomposites showed toxicity to SKBr3 or MCF-7 cancer cells. However, DOX@zeolite inhibits cell growth more than the non-encapsulated drug. Thus zeolites and their magnetite nanocomposites show potential as biocompatible medical devices. Graphical Abstract

Foaming agents, despite holding potential in steam injection technology for heavy oil recovery, are still poorly investigated. In this work, we analyzed the performance of the foaming agent NPL-10 in terms of foam height and half-life under various conditions of temperature, pH, salinity, and oil content by orthogonal experiments. The best conditions of use for NPL-10 among those tested are T =220°C, pH 7, salinity 10000 mg·L –1 and oil content 10 g·L –1 . Thermal decomposition of NPL-10 was also studied by thermogravimetric and differential thermal analyses. NPL-10 decomposes above 220°C, and decomposition is a two-step process. The kinetic triplet (activation energy, kinetic function and pre-exponential factor) and the corresponding rate law were calculated for each step. Steps 1 and 2 follow kinetics of different order ( n = 2 and ½, respectively). These findings provide some criteria for the selection of foaming agents for oil recovery by steam injection.

The anti- Candida agent, ({( E )-[3-(1H-imidazol-1-yl)-1-phenylpropylidene]amnio}oxy(4-nitropheny) methanone (IPAONM), was subjected to comprehensive spectroscopic (FT-IR, FT-Raman, UV–Vis 1 H and 13 C NMR) characterization as well as Hartree Fock and density functional theory computation studies. The selected optimized geometric bond lengths and bond angles of the IPAONM molecule were compared with the experimental values. The calculated wavenumbers have been scaled and compared with the experimental spectra. Mulliken charges and natural bond orbital analysis of the title molecule were calculated and interpreted. The energy and oscillator strengths of the IPAONM molecule were calculated by time-dependent density functional theory (TD-DFT). In addition, frontier molecular orbitals and molecular electrostatic potential diagram of the title compound were computed and analyzed. A study on the electronic properties, such as HOMO, HOMO-1, LUMO and LUMO+1 energies was carried out using TD-DFT approach. The 1 H and 13 C NMR chemical shift values of the title compound were calculated by the gauge independent atomic orbital method and compared with the experimental results. Graphical Abstract

Wet precipitation (WP) is a diffusion-controlled synthesis method, which is often used for synthesizing such compounds as hydroxyapatite (HAp). Since the process is limited by diffusion, the choice of a diffusion model becomes a critical aspect. In this simplistic assessment for a preliminary evaluation of the diffusion model applicability, the Ginstling-Brounstein (GB) equation is chosen and analyzed for the case of spherical particles. The nominal kinetic constant K is a parameter in GB model which describes diffusion and is related to the effective molecular diffusivity. When the value of K is known, it becomes possible to predict the required time to achieve desired conversion and design the synthesis accordingly. The GB model is assessed mathematically using simulations, a parametric study and Yates analysis (2 n factorial design). Parameters chosen for a preliminary study are in the range of characteristic values for a laboratory-scale WP synthesis of HAp and are thus representative for the application of the model to practice. It should be noted that the analysis is simplistic and is meant to provide only preliminary information for future research, requiring experimental validation.

M-polynomial of different molecular structures helps to calculate many topological indices. This polynomial is a new idea and its beauty is the wealth of information it contains about the closed forms of degree-based topological indices of molecular graph G of the structure . It is a well-known fact that topological indices play significant role in determining properties of the chemical compound [1, 2, 3, 4]. In this article, we computed the closed form of M-polynomial of zigzag and rhombic benzenoid systemsbecause of their extensive usages in industry. Moreover we give graphs of M-polynomials and their relations with the parameters of structures.

The effect on photochemical transformations of the substituents present remotely from the reaction site in 3-benzyloxy-2-(benzo[ b ]thiophen-2-yl)-4 H -chromen-4-ones has been determined. The structure(s) of the substrates and photoproducts were established by spectroscopic techniques (UV, IR, and NMR). The substituents had profound effects on product yield and distribution. Electron withdrawing groups (EWGs) on the benzenoid moiety of the chromenone nucleus increased the yield of the photoproducts whereas electron donating groups (EDGs) decreased the yield. These results may be attributed to “state switching” of the substituents during excitation. Graphical Abstract

There are a number of secondary metabolites having medicinal values in Ligustri Lucidi Fructus . In this study, the target analytes salidroside, ligustroflavone, specnuezhenide, oleuropein, oleanolic acid and ursolic acid were chosen, aiming to establish a method to investigate the content of six compounds during eight growth stages of Ligustri Lucidi Fructus . Even though the results indicated that the contents of six compounds in different growth periods reached their maximum value, they displayed a downward trend. The antioxidant activity of the analyzed samples also decreased along with the growth period. The relationship between the content of six secondary metabolites and the activity has been elucidated. Hence, this research provides a theoretical basis for guiding efficient use of Ligustri Lucidi Fructus .

Fire performance of polypropylene (PP) containing different percentages of ammonium polyphosphate (APP) with montmorillonite (Mt) or treated montmorillonite (MtT) was carried out by using the cone calorimeter test (CCT). Different samples from ammonium polyphosphate and montmorillonite were mixed with 90% polypropylene. The characterization of the prepared samples indicates that there is incorporation between the components of the samples. Heat release rate (HRR), peak heat release rate (PHRR), average heat release rate (Av-HRR), and time to ignition (TTI) of the samples were obtained from the cone calorimeter test. Also, the fire performance index (FPI) and the fire growth rate (FIGRA) were calculated. The interpretation of the curves and the parameters results from the cone calorimeter test which indicates that the addition of montmorillonite to APP increases its action as a flame retardant for PP. Moreover, the samples contain acid treatment montmorillonite showed an increase in the efficiency of ammonium polyphosphate when used. This result may be due to an increase in the SiO 2 content by acid treatment. Graphical Abstract

It is well known that drugs can directly react with excipients. In addition, excipients can be a source of impurities that either directly react with drugs or catalyze their degradation. Thus, binary mixtures of three diuretics, torasemide, furosemide and amiloride with different excipients, i . e . citric acid anhydrous, povidone K25 (PVP), magnesium stearate (Mg stearate), lactose, D-mannitol, glycine, calcium hydrogen phosphate anhydrous (CaHPO 4 ) and starch, were examined to detect interactions. High temperature and humidity or UV/VIS irradiation were applied as stressing conditions. Differential scanning calorimetry (DSC), FT-IR and NIR were used to adequately collect information. In addition, chemometric assessments of NIR signals with principal component analysis (PCA) and ANOVA were applied. Between the excipients examined, lactose and starch did not show any interactions while citric acid, PVP, Mg stearate and glycine were peculiarly operative. Some of these interactions were shown without any stress, while others were caused or accelerated by high temperature and humidity, and less by UV/VIS light. Based on these results, potential mechanisms for the observed interactions were proposed Finally, we conclude that selection of appropriate excipients for torasemide, furosemide and amiloride is an important question to minimize their degradation processes, especially when new types of formulations are being manufactured. Graphical Abstract

The detoxification, metabolism, and excretion of various endogenous and exogenous materials occur mainly in the liver. Liver diseases are a global concern, and classified as chronic hepatitis, cirrhosis, and hepatosis. The development of safe hepatoprotective agents remains an unmet need. Therefore, we investigated the antioxidant effects of methanolic and n -hexane fractions of Zilla spinosa (ZSM and ZSH, respectively) and Hammada elegans (HEM and HEH, respectively) against carbon tetrachloride (CCl 4 )-induced liver toxicity in rats. Antioxidant activity was studied by the 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay. The rats were divided into 11 groups (n=6)–group, 1 (control), group 2 (CCl 4 only), group 3 (CCl 4 +silymarin 10 mg/kg), group 4 (CCl 4 +HEM 250 mg/kg), group 5 (CC1 4 +HEM 500 mg/kg), group 6 (CCl 4 +HEH 250 mg/kg), group, 7 (CCl 4 +HEH 500 mg/kg), group, 8 (CCl 4 +ZSM 250 mg/kg), group 9 (CCl 4 +ZSM 500 mg/kg), group 10 (CCl 4 +ZSH 250 mg/kg), and group 11 (CCl 4 +ZSH 500 mg/kg). Serum levels of aspartate aminotransferase, alanine aminotransferase, alkaline phosphatase, gamma glutamyl transferase, and total bilirubin were measured. The extent of hepatic injury was histopathologically assessed. Treatment with ZSM and ZSH at 250 and 500 mg/kg did not significantly affect biochemical results compared with the CCl 4 only group. However, treatment with both HEM and HEH at 250 and 500 mg/kg provided significant (p<0.001) results compared with the CCl 4 only group. These results were consistent with histological findings. HEM and HEH at 250 μ g/mL significantly inhibited DPPH radical formation by 38.E6 and 35.65%, rerpectively. However antioxidant effects of ZSM and ZSH were insignificant.

Zinc oxide nano falcates of sickle shape have been synthesized from Prunus cerasifera pomological extract as a reducing cum stabilizing agent via novel, biomimetic and non-toxic route. Zinc oxide nano falcates were analyzed via ultraviolet spectroscopy, Fourier transform infrared analysis, X-ray powder diffraction, scanning electron microscopy and atomic force microscopy. Highly stable zinc oxide nano falcates synthesized at 200°C and 400°C calcination temperatures expressed intense UV-vis peak at 398 nm. Phenolic and amino groups were revealed by FTIR in pomological extract. Wurtzite crystalline structure of zinc oxide nano falcates was confirmed by XRD with average crystal size of 4.93 nm. SEM sizes ranged between 72.11-120 nm and 56.57-107.70 nm, respectively and shown higher polydispersity levels for two calcination temperatures. Augmented photocatalytic degradation of methyl red and bromophenol blue under direct solar irradiance shown pseudo first order kinetics (R 2 = 0.99 and 0.96). Furthermore, biomedical and agriculturally important pathogenic strains i.e., Xanthomanas axonopodis pv. citri and Pseudomonas syringae , Aspergillus niger , Aspergillus flavus , Aspergillus fumigatus , Aspergillus terreus , Penicillium chrysogenum , Fusarium solani and Lasiodiplodia theobromae were remarkably inhibited. Enhanced photocatalytic and antimicrobial activity reveals zinc oxide nano falcates promising prospects in nano bioremediation of polluted water and conversion into green nano pesticides. Graphical Abstract

Samples of layered double hydroxides containing carbonates as compensating anions were prepared by the urea method. These LDHs were used as hosts of anions coming from pipemidic and nalidixic acid. XRD results confirm that these anions were hosted in the interlayer space of LDHs. Further, from 27 Al NMR MAS characterization of an interaction between the brucite-like layers and anions was suggested. Then the hybrids LDHs were used as biocide of Salmonella typhi and Escherichia coli . The release profile of pipemidic and nalidixic anions from hybrid LDHs occurs for periods as long as 3.5 hours. The free-organic acid LDHs were not able to kill S . Typhi , neither E . coli . In contrast, the hybrids LDHs eliminate almost completely bacteria within short times.

MicroRNA-132 (miR-132) is correlated with inflammatory response regulation, although its effect on acute kidney injury to provide protection against hemorrhagic shock remains currently unknown. AChE in macrophages of the kidney subjected under hemorrhagic shock is presumed to be regulated by miR-132 after its transcription to alleviate the inflammatory response accordingly. Antagonists such as acetylcholine (Ach) (concentration 10 −4 mol/L) and galanthamine (Gal) (concentration 10μmol/L) were added into separate groups 1 hour after the macrophages in the kidney were isolated and cultured to induce injury under oxygen and glucose deprivation (OGD) and then cultured for 24 hours. To analyze the effect of miR-132, we placed the renal epithelial cells transfected with miR-132 plasmids with stable expression over the renal macrophages to create a double cell culture system. The expression levels of inflammatory factors and apoptosis under OGD were significantly higher in renal macrophages than in other experimental groups. Moreover, the expression of miR-132 in macrophages of the double cell culture system showing stable expression of miR-132 increased, whereas that of several inflammatory factors was significantly inhibited. The expression levels of AChE mRNA and protein in the macrophages significantly decreased. The cholinergic antiinflammatory pathway in renal macrophages is regulated by miR-132 via inhibition of the hydrolytic activity of cholinesterase to alleviate inflammatory response, which may play a role in the prevention and treatment of kidney injury caused by hemorrhagic shock. Graphical Abstract

Heteroleptic divalent metal complexes [M(L) (bipy)(Y)]• n H 2 O (where M = Mn, Co, Ni, and Zn; L = Schiff base; bipy = 2,2’-bipyridine; Y = OAc and n = 0, 1) have been synthesized from pyrimidine Schiff base ligand 3-{( E )-[(4,6-dimethylpyrimidin-2-yl)imino]methyl} naphthalen-2-ol, 2,2’-bipyridine and metal(II) acetate salts. The Schiff base and its complexes were characterized by analytical (CHN elemental analyses, solubility, melting point, conductivity) measurements, spectral (IR, UV-vis, 1 H and 13 C-NMR and MS) and magnetometry. The elemental analyses, Uv-vis spectra and room temperature magnetic moment data provide evidence of six coordinated octahedral geometry for the complexes. The metal complexes’ low molar conductivity values in dimethylsulphoxide suggested that they were non-ionic in nature. The compounds displayed moderate to good antimicrobial and antifungal activities against S . aureus , P . aeruginosa , E . coli , B . cereus , P . mirabilis , K . oxytoca , A . niger , A . flevus and R . Stolonifer . The compounds also exhibited good antioxidant potentials with ferrous ion chelation and, 1-diphenyl-2-picryl-hydrazyl (DPPH) radical scavenging assays. Molecular docking studies showed a good interaction with drug targets used. The structural and electronic properties of complexes were further confirmed by density functional theory calculations. Graphical Abstract

There is a strong relationship between the chemical characteristics of chemical compounds and their molecular structures. Topological indices are numerical values associated with the chemical molecular graphs that help to understand the physical features, chemical reactivity, and biological activity of chemical compound. Thus, the study of the topological indices is important. M-polynomial helps to recover many degree-based topological indices for example Zagreb indices, Randic index, symmetric division idex, inverse sum index etc. In this article we compute M -polynomials of dominating David derived networks of the first type, second type and third type of dimension n and find some topological properties by using these M-polynomials. The results are plotted using Maple to see the dependence of topological indices on the involved parameters.

The study assessed the level of heavy metals in surface water across Ndawuse River near the dumpsite at Phase 1 District of the Federal Capital Territory (FCT), Abuja, Nigeria. The results indicated that oxygen demand, turbidity and heavy metals were above the standard limits set for drinking water. Multivariate analysis using principal component analysis and hierarchical cluster analysis revealed natural and anthropogenic activities as sources of heavy metal contamination. The estimated non-carcinogenic effects using hazard quotient toxicity potential, cumulative hazard index and daily human exposure dose of surface water through ingestion pathway were less than a unity. The estimated carcinogenic risks (CRing) exceeded the suggested potential risk limits, with lead (Pb) having the highest CRing value for all age groups. However, children were found to be more susceptible to heavy metals over a period of time according to the estimated values. The concentration of heavy metals in the investigated river could pose an adverse health risk to several communities that rely on this receiving water bodies for domestic purposes. Therefore, there is need for strict enforcement of environmental laws to protect aquatic ecosystem and to avoid long term cumulative exposure risk that heavy metals may pose on human health.

Diagnosis of bowel diseases is often difficult and time consuming since it is not always possible to obtain adequate information by the conventional diagnostic methods to set up a diagnosis and exclude nongastrointestinal causes of symptoms. The aim of this study was to investigate the structure of blood serum samples of patients with selected intestinal diseases. The blood serum samples of patients (N=35) with selected diagnoses ( mesenteric thrombosis , inflammatory bowel disease , duodenal ulcers , sepsis , enterorrhagia , sigmoid colon resection , small intestine cancer ) and of healthy subjects were evaluated by synchronous fluorescence fingerprint and atomic force microscopy. Autofluorescence of blood serum studied at λ ex = 280 nm showed significant decrease of fluorescence intensity in patients with all types of diseases affecting bowels in comparison with the healthy control patients. The blood serum surface of ill patients showed significant differences in comparison with control group samples after atomic force microscopy evaluation as well. Irregularly placed small globular units of irregular shape in small amounts are possible to observe in patients with intestine ischemia. Fluorescence analysis and atomic force microscopy showed the ability to rapidly reflect qualitative and quantitative changes of proteins in blood serum samples of patients. These sensitive methods could be beneficial for monitoring the progression of both acute or chronic bowel diseases.

The development of safe desalination plants with low environmental impact is as important an issue as the supply of drinking water. The desalination plant in Jeddah (Saudi Arabia, Red Sea coast) produces freshwater from seawater by multi-stage flash distillation (MSFD) and reverse osmosis (RO). The process produces brine as by-product, which is dumped into the sea. The aim of this study was to assess the impact of Jeddah desalination plant on the coastal water in the nearby of the plant. Total concentrations of dissolved Cu, Ni, Zn and nutrients in several locations around the plant were analyzed by cathodic stripping voltammetry. The average levels of dissolved Cu, Ni, and Zn on surface in the sampling locations were 15.02, 11.02, and 68.03 nM respectively, whereas the levels at the seafloor near the discharging point were much higher. Distribution of temperature, salinity, nutrients and dissolved oxygen were quite normal both on surface and in depth.

The heterogeneous nature and widespread anthropogenic impacts on industrial water biotopes in the Trzuskawica S.A., pose challenges to biomonitoring of this habitat. Generally, the concentration of trace elements in the industrial water biotopes reflects the anthropogenic impacts. With X-ray fluorescence method (TXRF) in waters 17 elements:P,S,Cl,K,Ca,Ti,Cr, Mn,Fe,Ni,Cu,Zn,Br,Rb, Sr, Ba, Pb were revealed. High amounts of Ca, from 300 ppm to 198 ppm in May and from 999 ppm to 231 ppm in September 2015, was determined. A total of 36 diatoms were found in two reservoirs and drainage ditch, but only three taxa: Cymatopleura radiosa , Navicula upsaliensis and Nitzschia angustata were present in all 7 sampling sites. These species are known to be tolerant to organic pollution, eutrophication, and also characteristic for limestone waters. The results of CVA showed that dintoms in the water reservoir stocked with fish were distinguished by highest species richness. The relationships between diatoms and environmental variables confirm the positive correlation with the currently functioning industrial plant (despite the increased water temperature and large content of trace elements). Our results suggest that, though heterogeneity in both diatoms and selected elements in industrial waters, diatoms can be useful indicators of habitat conditions.

Ginsenoside Rg3(S) is a primary bioactive component in ginseng, which has pharmacological effects and nutritional activities. In the present study, pulsed electric field (PEF)-assisted acid hydrolysis processing was used to convert major ginsenoside Rb1 to minor ginsenoside Rg3(S). The optimum parameters of PEF assisted acid hydrolysis were analyzed by response surface methodology (RSM). The optimum processing conditions were: electric field intensity, 20 kVcm −1 ; acid concentration, 0.25 mol/L; pulse number, 10. The conversion rate of ginsenoside Rg3(S) achieved 68.58%, in accordance to the predicted value. The structure of hydrolyzed product was confirmed by 13 C-NMR. The results suggested that PEF-assisted acid hydrolysis significantly enhanced conversion rate of ginsenoside Rg3(S).

The purpose of this study is to evaluate the chemical composition, antioxidant and anti-bacterial activity of cumin essential oils (CEOs) extracted by different techniques, including supercritical carbon dioxide extraction (SCE), subcritical butane extraction (SBE) and traditional solvent extraction (SE). Our results indicated that CEOs are a valuable source of bioactive compounds, including cumin aldehyde, γ-terpinene and β-pinene. The most abundant components found in CEOs obtained by SCE and SBE were similar, while the abundant components in SE, β-Cumic aldehyde (19.31%) and α-phellandrene (9.49%), were distinctive. CEOs obtained by SCE exhibited higher antioxidant activity, followed by those extracted by SE and SBE. Moreover, the anti-microbial properties of CEOs obtained by SCE and SBE were higher than that of CEOs collected by SE. In conclusion, CEOs exhibit strong antioxidant and anti-microbial properties, which suggests a potential role of CEOs in preventing diseases associated with aging and oxidative stress, and our results highlight the potential usage of CEOs in the food industry.

Kidney ischemia and hypoxia can cause renal cell apoptosis and activation of inflammatory cells, which lead to the release of inflammatory factors and ultimately result in the damage of kidney tissue and the whole body. Renal tubular cell and macrophage autophagy can reduce the production of reactive oxygen species (ROS), thereby reducing the activation of inflammatory cytoplasm and its key effector protein, caspase-1, which reduces the expression of IL-1β and IL-18 and other inflammatory factors. Ulinastatin (UTI), as a glycoprotein drug, inhibits the activity of multiple proteases and reduces myocardial damage caused by ischemia-reperfusion by upregulating autophagy. However, it can be raised by macrophage autophagy, reduce the production of ROS, and ultimately reduce the expression of inflammatory mediators, thereby reducing renal cell injury, promote renal function recovery is not clear. In this study, a series of cell experiments have shown that ulinastatin is reduced by regulating the autophagy of renal tubular epithelial cells and macrophages to reduce the production of reactive oxygen species and inflammatory factors (TNF-α, IL-1β and IL-1), and then, increase the activity of the cells under the sugar oxygen deprivation model. The simultaneous use of cellular autophagy agonists Rapamycin (RAPA) and ulinastatin has a synergistic effect on the production of reactive oxygen species and the expression of inflammatory factors.

In this study, we investigate the production of hypolipidemic agents in the form of Acipimox sustained-release tablets, using a wet pelleting process. The purpose of this research is to reduce the total intake time for patients and to lower the initial dose in such that the adverse reactions could be reduced. This study adopts the single-factor method and orthogonal experiments by using hydroxypropyl methyl cellulose (HPMC K15M) as the main sustained-release prescription composition. The final prescription is Acipimox 20%, HPMC K15M 26.67%, sodium carboxymethyl cellulose 30%, polyethylene glycol (PEG 6000) 1%, ethyl cellulose 16.6%, lactose 4.67% and magnesium stearate 1%. The dissolution of tablets reached 85.88% in 8 h. The difference in the weight, hardness and friability of the tables met the requirements in the Chinese Pharmacopoeia; to test the stability, a temperature and illumination accelerated test method was used, the results indicate that the Acipimox sustained-release tablets should be sealed and stored in a dark, cool area. A preliminary study on the tablets’ releasing mechanism showed that their release curve fitted the Higuchi model (the formula is M t / M ∞ = 31.137 t 1/2 –3.605 ( R 2 = 0.9903)). The Acipimox tablets’ release principle is dominated by the diffusion mechanism.

The Arabian Gulf is considered as one of the most important sources for the crude oil all over the world. Due to the vast oil exploration and exploitation, huge amounts of organic pollutants infiltrate to the gulf. An important class of organic pollutants is polycyclic aromatic hydrocarbons (PAHs). One of the marine habitats in Arabian Gulf area is the mangrove stands, that are undoubtedly impacted by all anthropogenic factors like oil industries and sewage discharge. In the monitoring framework for mangrove ecosystem along Saudi coasts, nine mangrove stands were examined for the accumulation of PAHs in the Arabian Gulf coast. PAHs were measured using Gas Chromatography-Mass Spectrometry. The mean values detected for total PAHs in mangrove sediments, roots and leaf were 105.39, 680.0 and 282.4 ng/g, respectively. The trend of total PAHs concentrations in all sites showed the descending order: roots > leaf > sediments. Despite the sandy nature and low organic carbon contents of the mangrove sediments, moderate values of PAHs were detected in the major sites. PAH bio-accumulation factors for roots are higher than that in leaf. The diagnostic ratios revealed that the sources of PAHs are mainly pyrogenic, except for Damam and Damam Port that were found to be petrogenic.

Malus halliana Koehne flowers have been used as a Chinese traditional medicine to treat metrorrhagia. In this study, the dynamic changes in its secondary metabolites and spectrum-effect relationship of inhibition on α -glucosidase during blooming were investigated. The changes in the contents of three flavonoids (phloretin-4’- O -glycosidase, afzeloside, and 3-hydroxyphloridzin) were determined by high performance liquid chromatography (HPLC) and changes in inhibitory effect on α -glucosidase were evaluated in vitro . Then, spectrum-effect relationship was evaluated by partial least square method. The results indicated that the contents of three flavonoids and inhibition of α -glucosidase activity in vitro showed a fluctuating downward trend, thereinto, the maximum contents of phloretin-4’-O-glycosidase, afzeloside, and 3-hydroxyphloridzin reached 157.43±0.36, 17.27±0.06 and 22.67±0.35 (mg/g), respectively. In spectrum-effect relationship assay, matched 40 mutual peaks, thereinto, P 2 , P 5 , P 6 -P 12 , P 14 (3-hydroxyphloridzin), P 16 -P 19 , P 20 (phloretin-4’- O -glycosidase), P 24 , P 26 , P 29 , P 31 , P 33 , P 34 , P 36 , P 39 and P 40 were positively correlated to inhibitory effect on α -glucosidase in vitro . P 1 , P 3 , P 4 , P 13 , P 15 , P 21 -P 23 , P 27 , P 28 , P 30 (afzeloside), P 32 , P 35 , P 37 and P 38 were negatively related to inhibitory effect on α -glucosidase in vitro .

Gardenia aqualla a plant of the Rubiaceae family is being used extensively in Africa, particularly in Cameroon as an herbal medicine. Therefore it is necessary to have knowledge of the constituents of the plant of our native species. Thus, the aim of the present study was to investigate chemical constituents of this herbal medicine. Nine compounds, including one alkane, n-Nonacosane ( 1 ), two aliphatic alcohols n-heptatriacontanol ( 2 ) and n-Docosanol( 3 ), one fatty ester, Heptadecyl heptacosanoate ( 4 ), two sugars, D-mannitol ( 5 ) and D-mannitol acetate ( 6 ), and a mixture of three phytosterols, β -sitosterol ( 7 ), stigmasterol ( 8 ) and fucosterol ( 9 ), have been isolated and purified from the stem barks of Gardenia aqualla Stapf & Hutch. Their structures were elucidated using spectroscopic analyses, including 1D and 2D NMR and ESI-MS. The fatty acid ester, heptadecyl heptacosanoate ( 4 ) is reported here for the first time. All the isolated compounds were tested for their antimicrobial activities against four Gram negative bacteria ( Salmonella Typhimurium ATCC6539, Pseudomonas aeruginosa ATCC9721, Escherichia coli , and S . Typhi ) and four yeasts ( Candida albicans ATCC9002, Candida parapsilosis ATCC22019, Candida krusei and C . albicans ).

The effect of using microwaves or conventional heating for synthesizing/modifying several acid micro- and mesoporous materials have been studied by testing them as catalysts for the acetalization of glycerol with furfural to obtain 1,3-dioxane and 1,3-dioxolane (fuel additives). Microwaves allowed us the incorporation of higher amounts of sulfonic groups in SBA-15 and montmorillonite MK-10 catalysts whereas for zeolite samples the differences were not significant. The catalysts prepared/modified with microwaves led to higher conversion but slight lower selectivity to the desired products than those prepared by conventional heating. Sulfonated montmorillonite MK-10 catalysts showed high conversion (62-68%) and the highest selectivity values to the desired products (72-86%). This has been related to the higher surface density of Brønsted acid sites observed for these catalysts. The presence of Lewis acid centres in the ReO x /hectorite catalyst increased the formatron od dioxane. Graphical Abstract

Methylene blue dye has been widely used in many industries and usually released in natural water sources, which become a health thereat to human-beings and microbes. This paper demonstrates an oxidation method to remove methylene blue in water. The effect of natural organic matter humic acid, on the degradation of methylene blue using PMS was investigated. The results show that PMS could effectively degrade 50 mg/L methylene blue (>95%) when the PMS concentration was larger than 1.0 mM. Humic acid had either negative or positive impact on the degradation processes because of the co-existence of several competitive degradation mechanisms (I: humic acid competes with methylene blue for PMS; II: humic acid activates PMS to produce sulfate radicals; III: Cl –1 competes with methylene blue for sulfate radicals). This study is expected to provide valuable information to improve in situ remediation of dye-contaminated wastewater in the existence of natural organic matters.

The present study explores the mechanism of resistance to pulmonary fibrosis by observing the possible effects of serum containing drugs prepared from Gua Lou Xie Bai decoction (GLXB-D) on transforming growth factor beta 1 (TGF-β1) induced Epithelial-mesenchymal transition (EMT) of A549 human alveolar epithelial cells. The inhibition rate was observed with the help of thiazolyl blue tetrazolium bromide (MTT) in 24 h and 48 h treated cells. Inverted microscope and transmission electron microscope (TEM) were used to study the changes in the morphology and ultrastructure of the cells. The expressions of E-cadherin and Vimentin were comparatively analyzed by Western blotting, while the expressions of Collagen I and III were analyzed by ELISA. The data obtained indicated that the expression of epithelial marker E-cadherin was decreased, while the expressions of EMT markers such as Vimentin and Collagen I and III were increased in 24 h after TGF-β1 induction. However, the serum containing drugs of GLXB-D were found to inhibit the TGF-β1 induced proliferation of cells, increase the expression of E-cadherin and decrease the expression of Vimentin, collagen I and III. In conclusion, the serum containing drugs of GLXB-D effectively reduced pulmonary fibrosis, mainly via the reversal of EMT induction by TGF-β1. Thus, it can be considered as a potential candidate for the development of better treatment methods for pulmonary fibrosis.

Anvillea garcinii (AG, Asteraceae) commonly called “nougd” in Arabic is traditionally used for the treatment of different gastrointestinal disorders. This study evaluates the effects of ethanol, chloroform and n-butanol extracts of AG on ulcerative colitis induced by various ulcerogens in rats and the isolation of new secondary metabolites. Ethanol extracts of the leaf of the AG demonstrated a powerful anti-ulcer activity which could be attributed to the synergistic effect of its constituents. Therefore, our results would be the first proof of traditional use of AG as an antiulcer ailment. Graphical Abstract Anvillea garcinii

Metabolomics technology based on proton nuclear magnetic resonance ( 1 H NMR) spectroscopy combined with pattern recognition analysis was used to characterize the Cabernet Sauvignon and Shiraz dry red wines vinified in the Linfen of Shanxi Province, China, in 2016. The results showed that there was a very significant difference between the metabolites of Cabernet Sauvignon and Shiraz dry red wines from the area of Linfen. Compared with Shiraz dry red wines, Cabernet Sauvignon dry red wines contained higher levels of proline, valine, tartaric acid, citric acid, malic acid, gallic acid, β-glucose and ethyl acetate, whereas 2,3-butanediol, lactic acid, choline, glycerol, α-D-glucuronic acid, succinic acid and alanine were present in lower levels. Application of NMR spectroscopy combined with pattern recognition analysis showed the discriminative power between wine varietals from the same production area. The loading plot from partial least squares discriminant analysis (PLs-DA) indicated that the key biomarkers for this differentiation were proline, tartaric acid, glycerol, lactic acid, choline, succinic acid and gallic acid, which was consistent with the result of quantitative analysis.

To better understand the impact of warming on heavy metals (HM) associated with plant litter decomposition in streams, we investigated the impact of high and low HM (Cu and Zn) levels and different water temperatures (10,15 and 20 o C) on microbial decomposition of Typhaangustifolia L.litter and the associated extracellular enzyme activities. During a 100-day incubation, changes in litter mass losses, chemical composition (lignin and total carbohydrate), and extracellular enzyme activity were determined. The decomposition rates were accelerated by the low HM levels at 20 o C (0.0051 day –1 at CK vs 0.0061 day –1 at low HM levels). The negative effects of Cu and Zn on Typha litter decomposition were more pronounced at lower temperatures (10 and 15°C). The enhanced enzyme activities of cellulase and β-glucosidase and the higher lignin/litter weight loss and lignin/carbohydrate ratios were found at 20 o C and low HM treatment. The enzyme activities of β-glucosidase and cellulase were positively correlated with litter mass losses at 20 o C and low HM levels. These results suggest that a 5 o C increase in water temperature may attenuate the inhibition of low HM level on litter decomposition.

The rapid aging of the population results in increased number of metabolic and degenerative disorders, especially in the elderly.Thus, a novel approach in the fields of orthopedic and reconstructive surgery for bone regeneration is strongly desirable. A new perspective in the therapy of bone fractures is tissue engineering which combines living cells with biomaterials to develop modern substitutes that can restore tissue functions. Metallic biomaterials, including stainless steel and pure titanium, have been extensively used for the fabrication of surgical implants over decades. Chemical modification of material surface for example incorporation of chemotactic factors may significantly improve the therapeutic effect. In this paper we describe titanium substrate modifications with ZrO 2 /SiO 2 coating functionalized with resveratrol using a sol – gel, dip-coating technique. Moreover, we established the effects of fabricated scaffolds on adipose stem cells isolated from elderly patients. Using fluorescence imaging, polymerase chain reaction (PCR)and cytotoxicity tests, we established that 0.5 Res_ZrO 2 /SiO 2 significantly reduced apoptosis and accumulation of oxidative stress factors in adipose derived stem cells (ASC). Thus exploitation of fabricated biomaterials in regenerative medicine as a strategy for rejuvenate ASC from elderly patients in vivo , seems fully justified.

A rapid, simple and sensitive thin-layer chromatography (TLC) spectrodensitometric method was developed for the simultaneous determination of colchicine and probenecid in their binary mixtures. The two drugs were quantitatively separated using silica gel 60 F 254 as stationary phase and toluene–ethyl acetate–methanol–ammonia (30:20:20:0.1, v/v/v/v) as mobile phase with UV detection at 248 nm for both drugs and at 354 nm for colchicine alone. Both drugs were efficiently separated with R f values of 0.33±0.03 and 0.60±0.03 for probenecid and colchicine, respectively. The linearity was found to be 16–320 and 120–2400 (ng/band) with quantitation limits of 17.59 and 225.82 ng/band for colchicine and probenecid, respectively, at 248 nm. At 354 nm, the linearity range of colchicine was found 16–240 ng/band with a quantitation limit of 54.03 ng/band. The experimental determination ranges were greatly extended with lower quantitation limits (15.60 and 116.13 ng/band for colchicine and probenecid, respectively at 248 nm, and 13.20 for colchicine at 354 nm) and correlation coefficients were improved when polynomial regression analysis was used. The quadratic model was found to be the best fit for all responses. The method has been validated according to the International Conference on Harmonization (ICH) guidelines providing good correlation coefficients (0.9997-0.9999) for both drugs, and it has been successfully applied in the determination of both drugs in their commercial dosage form without interference from excipients. Graphical Abstract

Recently, enormous research passion has been devoted to reduce air pollution caused by vehicle emissions. Effective vehicle emission control method is to convert exhaust pollutants by placing catalyst in the exhaust pipe. However, the major stumbling block is that a large portion of emission occurs in the initial 20–30 s during the engine cold-start stage, before catalyst can reach its operating temperature. To address the challenge, herein we developed a catalyst utilizing Pd and Rh as active components, Ce-Zr solid solution as assistant, γ-Al 2 O 3 as coating and Fe-Cr-Al as supporter. The catalyst component was optimized (atom ratio of Ce:Zr is 6:4, mass ratio of Pd:Rh is 8:2, total weight of Pd and Rh is 1.2 g/L, pore density is 700 pores/inch 2 ) and high-frequency electrical heating technique was employed to decrease operating temperature from 400°C to 350°C and improve exhaust conversion efficiency by 78%.

Among the synthetic strategies commonly used for supporting a metal complex onto an organic polymer in order to obtain an heterogenous catalyst, a valid choice is to synthesize a metal containing monomer (MCM), which can subsequently be subjected to polymerization with suitable comonomers and crosslinkers, achieving a supported transition metal catalyst as a metal-containing polymer (MCP). In this context, during the last two decades, we explored the use of 2-(acetoacetoxy)ethyl methacrylate (HAAEMA) as a ligand to prepare several MCMs for the relevant MCPs. In this review we summarize and discuss our developments in the studies of the catalytic activity of these “hybrid” catalysts. These catalysts have demonstrated high efficiency and/or excellent selectivity in several kinds of chemical reactions and very often they could be recovered and reused in multiple cycles maintaining their activity and selectivity without suffering from appreciable metal leaching.

Information on the presence of antibiotics is sparse for all types of water in Africa, including groundwater, surface water, effluent of wastewater treatment plants (WWTPs) and municipal potable water. With the relatively high sales of different antibiotics to treat infectious diseases in the human population of Africa, the residual of the antibiotics is bound to be released through excretion via urine or fecal matter in parallel to the high sales. This article reviews the published analysis on the occurrence of antibiotics in the environment particularly in the aquatic environment in some countries in Africa. In general, sulfamethoxazole was the most commonly detected in Africa surface water (with eight reports from four countries) at a concentration range of 0.00027 – 39 μgL -1 . Wastewater analysis is believed to give an early warning for preventing epidemics. Thus, we discuss the associated level of antibiotic resistance to some prevalent diseases in Africa whose aetiological agents can develop antibiotic resistance due to exposure to antibiotic residue in water. This is important because of rising population of immuno-deficient African residents ravaged by HIV/AIDS, poor nutrition and less efficient sanitation systems.

A quadrupole mass spectrometer was used to study the thermal release of mercury from wet flue gas desulphurization (WFGD) gypsum using temperature-programmed desorption/decomposition (TPD). The inability in direct detection of low concentrations of mercury halogenides in gypsum by mass spectrometry is discussed in detail. The hydrolysis of HgCl 2 vapours under specific experimental conditions in the mass spectrometer was considered theoretically and proved experimentally. The mercury concentration in different gypsum fractions varies from 0.22 mg kg -1 (3.27-148 μm, coarse particles) to 20.6 mg kg -1 (0.41-88.0 μm, fine particles). All samples had a similar, symmetrical, single-peak (peak maximum 253–266°C) in the TPD spectra. In the present study, the use of ‘wet’ methods for preparing mercury compounds is introduced in addition to the mercury standards prepared using the ‘dry’ method, as commonly found in TPD. The study showed that selected metals, such as Fe enriched in gypsum samples, significantly influence the shape and the maximum temperature of the Hg TPD curves and that during the mercury compound preparation and the TPD process, Hg species undergo transformations that prevent the identification of their original identity.

Highly stable semiconducting silver doped zinc oxide nanoparticles have been synthesized via facile, biomimetic and sustainable route, through utilization of Zinc acetate dihydrate (C 4 H 6 O 4 Zn · 2H 2 O) as host, Silver nitrate (AgNO 3 ) as dopant and phytochemicals of angiospermic medicinal plant Prunus cerasifera as the reducing agents. Synthesis of Ag doped ZnO nanoparticles was done in a one pot synthetic mode by varying the amount of dopant from 0.2 – 2.0%. Synthesized photocatalyst nanoparticles were analyzed via UV-vis, FTIR, XRD and SEM. Commendable alleviation in the direct band gap i.e. 2.81 eV was achieved as a result of doping. Silver doped zinc oxide nanoparticles size ranged between 72.11 – 100 nm with rough surface morphology and higher polydispersity degree. The XRD patterns revealed the hexagonal wurtzite geometry of crystals with an average crystallite size of 2.99 nm. Persistent organic dyes Methyl Orange, Safranin O and Rhodamine B were sustainably photodegraded in direct solar irradiance with remarkable degradation percentages up to 81.76, 74.11 and 85.52% in limited time with pseudo first order reaction kinetics ( R 2 =0.99, 0.99 and 0.97). Furthermore, efficient inhibition against nine microbes of biomedical and agriculturally significance was achieved. Synthesized nanoparticles are potential green remediators of polluted water and perilous pathogens. Graphical Abstract

Background The detection and treatment of invasive growth hormone-secreting pituitary adenoma (GHPA) remains challenging. Several transcription factors promoting the epithelial–mesenchymal transition (EMT) can act as cofactors for the transforming growth factor-beta (TGF-ß)/SMAD4. The goal of this study was to investigate the association of SMAD4 expression and clinicopathologic features using a tissue microarray analysis (TMA). The levels of SMAD4 and the related genes of EMT in GHPAs were analyzed by q-PCR and western blot. SMAD4 was strongly expressed in 15/19 cases (78.9%) of invasive GHPA and 10/42 cases (23.8%) of noninvasive GHPA (χ 2 =10.887, p =0.000). In the high SMAD4 group, a headache was reported in 16/25 cases (64%) compared with 13/36 cases (36.1%) in the low SMAD4 group (χ 2 =4.565, p =0.032). The progression-free survival (PFS) in the high group was lower than that in the low group ( p =0.026). qRT-PCR and western blot analysis further revealed a significant downregulation of E-cadherin and upregulation of N-cadherin and vimentin in the invasive GHPA group. SMAD4 was associated with increased levels of invasion of GH3 cells, as determined by a transwell test. SMAD4 downregulated E-cadherin levels and increased the levels of N-cadherin and vimentin. Our data provide evidence that SMAD4 is a potential prognosis biomarker and a therapeutic target for patients with invasive GHPA.

Cement stabilization is used extensively to solidify sludge. However, previous studies suggest that the organic acids in sludge can restrain the hydration processes of cementitious materials. This study presents a new binder (steel slag based materials) whose effectiveness of stabilization was investigated on sewage sludge. Several series of tests for solidified sludge were conducted including the moisture content, compressive strength, shear force, permeability, and toxicity characteristic leaching (TCLP). The result shows that the stabilization effect of physicochemical properties of stabilized sewage by S1 * (content 90% steel slag) were better than that of cement. With 20% S1, the moisture content of the sludge could be reduced to 30% at 20+1°C for 7 days; The compressive strength was 74.5 kappa and the permeability coefficient was 5.03 × 10 –5 (cm/s); The TCLP was below the limit value. The hydration products of paste and solidified sludge at 1, 3, 14, 28, and 90 days were analyzed by XRD, SEM, and energy spectroscopy to distinguish ettringite/iron ettringite in S1 solidified sludge. the result shows the Needle-like ettringite of S1 possess high iron content and may be Fe–Aft.

This study aimed to compare in vitro cell cytotoxicity and antiproliferative potency of three standardized ethanolic extracts (5mg GAE/mL sample) from quince flower petals, leaves and fruit pellet on four cell lines (L-929, and HepG2, Caco-2 and BT-20 respectively). Comparative analytical qualitative studies (HPTLC) indicated that if quince leaf extracts (Col40) mainly contain quercetin and kaempferol derivates, the flower petal extracts (Cof40) contain caffeoylquinic acid derivates, while the fruit pellet extracts (Cop40) are comprised of quercetin and caffeoylquinic acid derivates. Pharmacological studies demonstrated the lack of toxicity of test extracts; the most important antiproliferative effects were observed on the hepatic cancer cell line HepG2 (up to 75%, 53% and 70% inhibition in the case of Col40, Cof40 and Cop40 test extracts), followed by the colon cancer cell line Caco-2 (up to 69%, 77% and 40% inhibition) and breast cancer cell line BT-20 (up to 54%, 61% and 19% inhibition). The docking simulations on hyperoside, isoquercitrin, astragalin, and quercetin and kaempferol compared to the synthetic co-crystallized LI0 A1000 ligand (a strong inhibitor of anti-apoptotic protein Bcl-2) indicated astragalin as the most feasible protein inhibitor, but quercetin and kaempferol respected all the parameters involved in the Lipinski rule, making them the most promising antiproliferative candidates. Graphical Abstract

We successfully synthesized Pd@MMT clay using a cation exchange process. We characterized all the synthesized Pd@MMT clays using sophisticated analytical techniques before testing them as a heterogeneous catalyst for the Mizoroki - Heck reaction (mono and double). The highest yield of the Mizoroki-Heck reaction product was recovered using thermally stable and highly reactive Pd@ MMT-1 clay catalyst in the functionalized ionic liquid reaction medium. We successfully isolated 2-aryl-vinyl phosphonates (mono-Mizoroki-Heck reaction product) and 2,2-diaryl-vinylphosphonates (double-Mizoroki-Heck reaction product) using aryl halides and dialkyl vinyl phosphonates in higher yields. The low catalyst loading, easy recovery of reaction product and 8 times catalyst recycling are the major highlights of this proposed protocol. Graphical Abstract

A new, selective and sensitive HPLC method for the determination of lixivaptan, an oral selective vasopressin 2 (V2)-receptor antagonist, was investigated and validated. A Waters symmetry C18 column was used as a stationary phase in isocratic elution mode using a mobile phase composed of KH 2 PO 4 (100 mM)-acetonitrile (40: 60, v/v) at a flow rate of 1.5 mL min -1 . Diclofenac was used as the internal standard (IS). Lixivaptan and the IS were extracted from plasma by protein precipitation and were detected at 260 nm. Lixivaptan and diclofenac were eluted at 3.6 and 6.2 min, respectively. The developed method showed good linearity over the calibration range of 50 -1000 ng mL -1 with a lower limit of detection of 16.5 ng mL -1 . The extraction percentage of lixivaptan in the mouse plasma was in the range of 88.88 - 114.43%, which indicates acceptable extraction. The aforementioned method was validated according to guidelines of the International Council on Harmonization (ICH). The intra- and inter-day coefficients of variation did not exceed 5.5%. This method was presented to be simple, sensitive, and accurate and was successfully adapted in a pharmacokinetic study of the profile of lixivaptan in mouse plasma. A mean maximum plasma concentration of lixivaptan of 113.82 ng mL -1 was achieved in 0.5 h after oral administration of a 10 mg kg -1 dose in mouse as determined using the developed method.

Prolactinoma is the most frequently diagnosed pituitary tumors. Dopamine agonists (DAs) are recognized as first-line therapy; however, approximately 10% patients will develop resistance to DAs therapy. Consequently, a large number of investigations have been carried out to identify novel therapeutic targets. Recently, studies have suggested that epidermal growth factor-like domain 7 (EGFL7) can promote tumor growth, invasion, and angiogenesis. We previously reported that overexpression of EGFL7 might play a crucial role in hormone-producing pituitary adenomas. In the present study, we now demonstrated a significantly higher protein expression of EGFL7 in prolactinoma compared with the normal pituitary gland. However, inhibition of EGFL7 with anti-EGFL7 antibodies significantly reduced the proliferation and PRL secretion of rat prolactinoma MMQ cells. Notably, in vitro administration of anti-EGFL7 antibodies significantly induced MMQ cells apoptosis in a dose-dependent manner. In conclusion, our finding suggests that EGFL7 is significantly overexpressed in prolactinoma and inhibition of EGFL7 with antibodies promoted MMQ cells apoptosis and inhibited PRL secretion. Thus, EGFL7 may serve as a potential novel therapeutic target for prolactinomas.

Vibrational spectral analysis and quantum chemical computations based on density functional theory have been performed on the antimicrobial agent 6-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-2-{[2-(morpholin- 4-yl)ethyl]sulfanyl}pyrimidin-4-(3 H )-one.The equilibrium structural geometry, various bonding features and harmonic vibrational wavenumbers of the title compound have been investigated using DFT-B3LYP function at 6-311++G(d, p) basis set. The detailed interpretations of the vibrational spectra have been carried out with the aid of VEDA 4 program. The various intramolecular interactions of the title compound have been exposed by natural bond orbital analysis. The FT-IR and FT-Raman spectra of the title molecule have been recorded and analyzed. Blue-shifting of the C-H wavenumber along with a decrease in the C-H bond length attribute for the formation of the C-H...O hydrogrn bonding provide an evidence for a charge transfer interaction. Also, the distribution of natural atomic charges reflects the presence of intramolecular hydrogen bonding. The analysis of the electron density of HOMO and LUMO gives an idea of the delocalization and the low value of energy gap indicates electron transfer within the molecule. Moreover, molecular docking studies revealed the possible binding of the title molecule to different antimicrobial target proteins. Graphical Abstract

The study was aimed at exploring the effects of applying ordinary and nano zeolite on the soil pH, soil available cadmium (Cd) content, soil Cd speciation and Cd uptakes by tobacco using pot experiment with simulated Cd contaminated soil indoors. The results showed that soil pH increased and available Cd content reduced with the amount of ordinary and nano zeolite increasing. Compared with the control, the application of ordinary and nano zeolite increased soil pH at 0.47 - 1.05 and 0.73 - 1.57, respectively, and reduced the available Cd contents at 19.3% - 32.7% and 23.2% - 40.5%, respectively. In addition, soil pH had significantly negative correlation with available Cd content in each treatment (p<0.05). Nano zeolite could more effectively reduce Cd contents of all parts of tobacco than ordinary zeolite with the same amount treatments, and Cd content in all parts of tobacco plants was positively correlated with soil available Cd content. The content of exchangeable Cd (EXE) in soil decreased to some extent with different zeolite treatments, application of nano zeolite was better than that of application of ordinary zeolite in reducing Cd bioavailability and transferability. Overall, application of nano zeolite has an advantage over ordinary zeolite in reducing available Cd content in soil and Cd content in tobacco.

The aim of this study was to determine the effects of Jinniu Capsule on methamphetamine (METH)-induced conditioned place preference (CPP) in rats and identify the underlying mechanisms. An intraperitoneal injection of 3 mg/kg METH was used for CPP training in rats. The effects of Jinniu Capsule following a single dose on rat CPP and repeat dosing on METH withdrawal were evaluated. Western Blot analysis was used to measure protein expression of the PI3K-AKT-mTOR signaling pathway to determine the mechanisms of Jinniu Capsule. A single dose of Jinniu Capsule did not influence METH-induced CPP in rats. However, repeat dosing for 7 days significantly promoted METH withdrawal. Furthermore, METH withdrawal activated the PI3K-AKT-mTOR signaling pathway phosphorylation cascade, and Jinniu Capsule partly blocked this cascade. Jinniu Capsule demonstrated potential in promoting METH withdrawal in a rat CPP model, which may be related to its influence on the PI3K-AKT-mTOR signaling pathway.

Topological indices capture the symmetry of molecular structures and provide a mathematical language to predict properties such as boiling points, viscosity, the radius of gyrations etc. [1]. We compute some newly developed topological indices of Porphyrin, Propyl Ether Imine, Zinc-Porphyrin and Poly(EThyleneAmidoAmine) Dendrimers. The results are plotted using Maple 2015 software to see the dependence on the involved structural parameters.

UV absorbers developed for finishing of textile materials play a significant role in protection against UV radiations but their discharge in wastewater during processing and laundry action also retain serious concern to living species due to their recalcitrant nature. The current study examined the mineralization and degradation of two vinylsulfone and nitrogen (N-) containing UV absorber compounds (1a, 2a) via two effective Fenton and UV/H 2 O 2 oxidation. The results showed that both the Fenton and UV/H 2 O 2 processes mineralized the synthesized UV absorbers effectively; however the mineralization process with Fenton oxidation was more effective than the UV/H 2 O 2 . The mineralization of synthesized UV absorbers was affected by process parameters (dosage of Fe 2+ and H 2 O 2 pH and reaction time). Under attained optimum conditions of Fenton oxidation, dose of Fe 2+ (15 mg/L), H 2 O 2 (500 mg/L), pH (3.0) and contact time (120 minutes), 75.43 and 77.54% of Chemical Oxygen Demand removal was achieved for 1a and 2a, respectively. Whereas, the optimum conditions of UV/H 2 O 2 process were H 2 O 2 (700 mg/L), pH(3.0) and irradiation time (200 minutes) that brought 54.33 and 57.65% COD removal in case of 1a and 2a, respectively. The results indicated that the Fenton oxidation can be successfully employed for the mineralization of triazine based UV absorbers.

Ischemic-reperfusion injury of the small intestine is an acute clinical condition with high mortality rate. This study describes the changes in levels of phenylalanine and tryptophan metabolites in intestinal homogenates and urine samples of Wistar male rats after 60 minutes of mesenteric ischemia and different reperfusion periods (1, 24, 30 hours) in comparison with a control group without the ischemia. The ischemic-reperfusion injury was quantified by the histopathological injury index. The levels of serotonin, epinephrine, and norepinephrine were determined in the intestinal homogenate and epinephrine, vanillylmandelic acid, and the 5-hydroxyindoleacetic acid was analyzed in urine using the HPLC method. The statistically significant increased level of serotonin, epinephrine and norepinephrine were detected in the intestinal samples after 24 hours of reperfusion (p<0.01); even the most elevated serotonin level was observed after one hour of reperfusion (p<0.001). A statistically significant decreased level of vanillylmandelic acid was observed after one hour of reperfusion, but it significantly increased after 24 hours (p<0.05) in urine. The elevated level of the 5-hydroxyindoleacetic acid after one hour and 24 hours after reperfusion (p<0.05) were determined in the urine. The most significant elevated epinephrine level was observed after 24 hours of reperfusion (p<0.001) in urine. Results showed a potential role of serotonin as an early biomarker (after one hour of reperfusion) of small intestinal damaged homogenate, while the best predictor of intestinal injury in urine was epinephrine, which was elevated after 24 hours.

In this study, a simple method was developed for the aggregation of graphene oxide (GO) with the addition of NaCl to concentrate and separate polycyclic aromatic hydrocarbons (PAHs) from water samples, and this method was used as a environmentally friendly method for the determination of PAHs. We demonstrate the uniform dispersion of GO sheets in aqueous samples for the fast high-efficiency adsorption of PAHs. Aggregation occurred immediately upon elimination of electrostatic repulsion by adding NaCl to neutralize the excessive negative charges on the surfaces of the GO sheets. The aggregates of GO and PAHs were separated and treated with hexane to form a slurry. The slurry was filtered and subjected to gas chromatography–mass spectroscopy (GC-MS) analysis. Based on a 40-mL sample volume, limits of detection of 10–30 ng L -1 were obtained for 16 PAHs, with correlation coefficients (R 2 ) exceeding 0.99. The method yielded good recovery, ranging from 80 to 111% and 80 to 107% for real spiked water samples at 100 and 500 ng L -1 , respectively. Compared to traditional solid-phase extraction and liquid–liquid extraction methods, this method is free of organic reagents in the pretreatment procedure and uses only 1 mL hexane for sample introduction.

Prolactinomas are the most frequently observed pituitary adenomas. Prolactinomas invasion is a key risk factor associated with operation results, and it is highly correlated with clinical prognosis. Nuclear receptor subfamily 2 group C member 2 (NR2C2) first cloned from testis is involved in the invasion and metastasis of several human tumors. In 46 patients with prolactinamas, the expression levels of CCNB1, Notch2, and NR2C2 was determined with tissue micro-array (TMA). The association between NR2C2 levels and clinical parameters was established with univariate analysis. The levels of Notch2 and CCNB1 were analyzed by RT-PCR and western blot techniques.The average methylation levels of the NR2C2 promoter were 0.505 and 0.825 in invasive prolactinomas (IPA) and non-IPA groups, respectively ( p = 0.013). Univariate analysis also showed that there is a significant relationship between high NR2C2 expression and invasion (x 2 = 7.043, p = 0.008), prolactin granules (x 2 = 8.712, p = 0.003), and tumor size (x 2 = 4.261, p = 0.039.) With the knockdown of NR2C2, cell proliferation was inhibited. Genes related to epithelial-mesenchymal transition (EMT) induced the apoptosis in MMQ cells. In addition, the level of Notch2 and CCNB1 were down-regulated with the knockdown of NR2C2. Moreover, miR-129-5p reduced mRNA levels of NR2C2, and they inhibited cell proliferation by inducing apoptosis levels of MMQ cells. Our findings proved NR2C2 played the important role in tumorigenesis tumor invasion of prolactinomas; moreover, NR2C2 is identified as a potential target.

In this paper, a new surface modification method was reported for the preparation of Phyllostachys pubescens powder as an effective adsorbent for the removal of chromium. Complex copper sulfide (Cu-S)nanospheres were evenly dispersed and loaded into the internal surface of the adsorbent, which provided both the ion exchange and oxidative-reductive properties. The composite showed an excellent adsorption efficacy for Cr(III) and Cr(VI). The surface properties of the obtained materials were characterized by FTIR and SEM. Maximum adsorption for Cr(III) and Cr(VI) was observed at pH 6.1 and 1.9, respectively. The experimental sorption equilibrium data were modeled using Langmuir and Freundlich isotherm equations. It was found that the maximum adsorption capacities of Cr(III) and Cr(VI) were 52.30 mg g -1 and 94.25 mg g -1 , respectively. The adsorption mechanism analysis inferred that the major adsorption mode of Cr(III) was ion exchange, and Cr(VI) was oxide-reduction. Graphical Abstract

We developed a series of new organic-inorganic hybrid hydrotalcite functionalized Ru catalytic systems. All the developed materials have been studied by FTIR, N 2 physisorption, ICP-OES, XPS, NMR ( 1 H, 13 C, 29 Si) and TEM analysis were performed to know the physiochemical behavior and structural morphology of functionalized hydrotalcite materials. XPS results strongly suggest that it involves the formation of N-Ru coordination bonds. We applied these well analyzed materials for CO 2 hydrogenation reaction as catalyst (with and without ionic liquid medium). We found that Ru metal containing functionalized hydrotalcite materials were highly active and stable (in terms of catalyst leaching and recycling). The heterogeneous catalyst can be easily recovered and reused 8 times without significant loss of catalytic activity and selectivity, which is a better green alternative for practical applications. Graphical Abstract

The resource utilization of phosphogypsum is confronted with great challenge. Of all the different methods for phosphogypsum resource utilization, using phosphocypsum to fabricate calcium fluoride (CaF 2 ) is an effective resource utilization method. In this work, high-quality nano-calcium fluoride was successfully prepared in aqueous solution using calcined phosphogypsum by direct precipitation method. A series of orthogonal experiments were carried out in study. Here, the calcined phosphogypsum powder was mixed with NH 4 F to react at 40°C for 70 min according to the optimum molar ratio (Ca/ F=0.4). Meanwhile, the residue obtained by separating the mixture reacted was dried at 120°C for 90min. After preparation, the nano-calcium fluoride was analyzed by X-ray diffraction and scanning electron microscope, results found that the average particle diameter of calcium fluoride was around 70 nm. This work could increase the industrial chain of phosphogypsum application and apply a method to solve the fluorite resource shortage.

Effective antibacterial activity against Grampositive bacteria isolated in clinical strains was exhibited when corylifolinin was tested using the Disc diffusion method (K-B method). Minimum inhibitory concentration (MIC) of corylifolinin against Staphylococcus aureus (SA), Methcillin-resistant Staphylococcus aureus (MRSA) and extended spectrum β -lactamases Staphylococcus aureus (ESBLs-SA) were 0.078, 0.156 and 0.078 mg/mL, respectively. The minimum bactericide concentrations (MBCs) were 0.156, 0.156 and 0.078 mg/mL respectively. Scanning electron microscopy (SEM), alkaline phosphatase (AKP) and bacterial extracellular protein leakage were used to investigate the antibacterial mechanism of corylifolinin. After adding corylifolinin at the MBC level, there were obvious changes to the Staphylococcus aureus of bacteria cells. Both MIC level and MBC levels of corylifolinin led to the leakage of AKP and bacterial extracellular protein.

Solvated organic compound with the general formula 2-formyl-3,6-bis(hydroxymethyl)phenyl benzoate [C 16 H 14 O 5 ] was synthesized. Fourier-transform infrared (FTIR), Mass Spectrometry (MS) and X-ray powder analytical methods were used here for structure elucidation. Characterization revealed a triclinic geometry with space group P1. The refined unit cell parameters are, a = 15.196 Å, b = 14.882 Å and c = 14.606 Å. Development in present work is an idea of the organic electrochemical dry cell. Electrochemists with an idea in vitro/vivo development in present assay are openly encouraged for supporting exploration.

The electro-photocatalytic degradation of amoxicillin in aqueous solution was investigated using single factor test by the potassium permanganate method for measuring the values of chemical oxygen demand (COD Mn ). Batch experiments were carried out successfully under different conditions, including initial amoxicillin concentration, calcium titanate dosage, pH, UV irradiation time, electrolyte and temperature. The experimental results show that there is a great difference between electro-photocatalytic and photocatalitic degradation. The maximum electro-photocatalytic degradation efficiency can increase to 79% under the experimental conditions of 200 mL amoxicillin solution (100 mg L -1 ) with 0.5 g calcium titanate by pH=3 for 120 min irradiation and 0.058 g sodium chloride as electrolyte at 318.5K. In addition, the reaction rate constant of 0.00848~0.01349 min -1 , activation energy of 9.8934 kJ mol -1 and the pre-exponential factor of 0.5728 were obtained based on kinetics studies, indicating that the electro-photocatalytic reaction approximately followed the first-order kinetics model.

The effects of Malus halliana Koehne polysaccharides on functional constipation was investigated in this study. The rats were divided into six groups: normal group, model group, positive control group, M . halliana polysaccharides high dose groups 1200 mg/ kg, medium dose groups 1000 mg/ kg and low dose groups 800 mg/kg. The model of constipation was established by loperamide hydrochloride. Feces weight at 6 and 24 hours after treatment, Colon moisture content, in addition the levels of motilin (MTL), gastrin (Gas), somatostatin (SS), substance P (SP) in serum were used to evaluate the preventive effects of M . halliana polysaccharides on constipation. Compared with the model group, the positive control group, M . halliana polysaccharide high, medium and low dose group 6 h weight of feces, colon moisture content, the levels of motilin (MTL), gastrin (GAS) and substance P(SP) significantly ( p <0.01) increased, the levels of somatostatin (SS) significantly decreased. The results indicated that the high, middle and low dosage of M . halliana polysaccharide could effectively improve functional constipation. Amongst these doses, the low dose group was better than others.

Computational chemistry is used to evaluate structures of different compounds by using principles of theoretical and quantum chemistry integrated into useful computer programs. It is used to determine energies, dipole moments and thermodynamic properties of different compounds. The present work reports the computational study of six donor-acceptor dyes. The computational method CAM-B3LYP with 6-31G(d,p) was used in this research to determine the effect of halogens on non-linear optical compounds. HOMO-LUMO energy gaps, dipole polarizabilities, first hyperpolarizabilities, and absorption spectra of six studied compounds ( dye 1 : 4-(2-(4-fluorophenyl)ethynyl)benzenamine; dye 2 : 4-(2-(4-chlorophenyl)ethynyl)benzenamine; dye 3 : 4-(2-(4-bromophenyl)ethynyl)benzenamine; dye 4 : 5-(2-(4-fluorophenyl)ethynyl)benzene-1,2,3-triamine; dye 5 : 5-(2-(4-chlorophenyl)ethynyl)benzene-1,2,3-triamine; dye 6 : 5-(2-(4-bromophenyl)ethynyl)benzene-1,2,3-triamine) with aniline and halo phenyl segments were computed by using density functional theory (DFT) and time-dependent density functional theory (TDDFT). Results indicate that all dyes showed wavelengths of maximum absorbance in the visible region. Small HOMO-LUMO energy gaps were observed in all investigated dyes. The present calculations on these dyes (1-6) offer an understanding of the direction of charge transfer (CT) and how NLO behavior can be explained. The aniline-to-halo phenyl CT, caused by the combination of the donor amino group and the acceptor halo group, could be a reason for NLO behavior of these sorts of compounds. These compounds exhibit significant molecular second-order NLO responses, especially dyes (6) and (5), with second-order polarizability determined to be approximately 4600 a.u.

A series of 3,4-dihydro-9-arylacridin-1(2 H )-ones was synthesized and enaminone function was introduced at the C-2 position using DMFDMA catalyst which in turn successfully converted into pyrazole, isoxazol, 1-phenyl-1 H -pyrazole by treating it with reagents such as hydrazine, hydroxylamine and phenylhydrazine. These newly synthesized compounds were evaluated for their antibacterial activity against a series of Gram-Positive bacteria including Staphylococcus aureus , Bacillus cereus , Staphylococcus aureus MLS16 and Gram-Negative bacteria including Klebsiella planticol , Escherichia coli and Pseudomonas aeruginosa and also against fungal strains including Candida albicans , Candida parapsilosis , Candida glabrata , Candida aaseri , Aspergillus niger and Issatchenkia hanoiensis . The compounds 3a and 6a exhibited considerable antifungal activity (MIC value 0.007 and 0.006 μM) against Candida albicans and Aspergillus niger respectively. The compound 4a showed excellent antibacterial activity towards Escherichia Coli (MIC = 0.003 μM) and the compound 5a found to show prominent DPPH radical scavenging activity with EC 50 value 16.85±1.5μg mL −1 . Graphical Abstract

The production of methanol by photocatalytic reduction of the CO 2 present in the different polluted seawater systems was explored using P–25, C/TiO 2 , and Cu-C/TiO 2 under both UV and sunlight. Both C/TiO 2 and Cu-C/TiO 2 were synthesized by the sonicated sol-gel method. The prepared photocatalyst demonstrated maximum efficiency when the dosage of photocatalysts was 1g/L and the doping level was 3wt% of copper. The maximum methanol yields of two observed polluted seawater systems were 2910 μmol/g and 2250 μmol/g after 5 hour illumination of UV light. However, the 5 hour natural sunlight illumination generated the yield of 990 μmol/g and 910 μmol/g of methanol. The observed results demonstrated that band gap narrowing of the photocatalyst by carbon modification and the restriction of electron-hole pair combination by copper doping both greatly enhanced the photocatalytic reduction of CO 2 to methanol under both UV and natural sunlight.

Beef fat was an extracted fat that a byproduct of beef processing industry. In this research, the objective was to study the effect of extraction methods on finger prints and fatty acid profiles of beef fat and to obtain the chosen extraction method. This study consisted of two steps namely extracting beef fat using Soxhlet, Folch, Bligh and Dyer, and Hara and Radin methods as well as characterizing the finger print using FTIR and fatty acid profiling using GCMS. The total lipid by Soxhlet, Folch, Bligh & Dyer, and Hara & Radin methods were 89.67%, 81.73%, 55.16%, and 84.40%, respectively. Statistical analysis showed that the saturated fatty acid in Folch was not significantly different with that in Soxhlet and Hara and Radin at a 5% level. Polyunsaturated fatty acids such as linoleic and linolenic acids are present in all methods, where linoleic acid was the highest in Folch and linolenic acid was the lowest in Bligh and Dyer. The PCA analysis showed that only Folch that can be differentiated and has minimal residual error values. The results of the finger print analysis showed the extraction methods which were used are not different. These data showed that Folch was the chosen method for extracting beef fat.

Simple, rapid and sensitive and synchronous fluorescence spectrometry (SFS) were developed for determination the fluoroquinolones of ciprofloxacin (CIP), norfloxacin (NOR) and enrofloxacin (ENR) separately in water solutions and in medicinal preparations. The optimized wavelength intervals between the emission and excitation wavelengths were 170 nm, 160 nm and 170 nm for CIP, NOR and ENR, respectively. The different experimental parameters affecting the synchronous fluorescence intensities of the three fluoroquinolones were carefully studied. Under the optimal conditions, good linearity was obtained over the range of 0.01 to 1.20 mg/L, 0.005 to 0.45 mg/L and 0.005 to 0.60 mg/L for the CIP, NOR and ENR, and with good relative standard deviations below 1.9% (n=9). In addition, the detection limits for CIP, NOR and ENR were 0.17 μg/L, 0.013 μg/L and 0.055 μg/L, respectively. What is more, compared with the conventional fluorescence spectrometry, the SFS could detect lower concentrations of each fluoroquinolone. Moreover, the proposed SFS were validated and successfully applied for the quantitative assay of each fluoroquinolone in medicinal preparations.

Carthamus tinctorius L. also known as: Acanthopanax safflower, red blue flower, it is the Compositae genus of safflower. The active ingredient of Chinese medicine safflower are flavonoids. In order to optimize the extraction method of total flavonoids, extraction with an ultrasonic extraction method, and ultraviolet spectrophotometry was used to determine the content. The results show that, the content of flavonoids in Carthamus tinctorius was 20.6mg/g. Compared with the traditional methods, the ultrasonic extraction method can shorten extraction time and reduce energy consumption.

During the last two decades, number of peoples suffering from diabetes has increased from 30-230 million globally. Today, seven out of the ten top countries are suffering from diabetes, are emergent countries. Due to alarming situations of diabetes, chemists and pharmacist are continuously searching and synthesizing new potent therapeutics to treat this disease. Now a days, considerable attention is being paid to the chemistry of the metal-drug interactions. Metals and their organic based complexes are being used clinically for various ailments. In this review, a comprehensive discussion about synthesis and diabetic evaluation of zinc and vanadium complex is summarized.

Eggshells were utilized as a cost effective catalyst to assist in biodiesel formation. Eggshells were calcined using different calcination conditions such as temperature and time. The eggshells underwent calcination under 1000 °C in which calcium carbonate was completely converted into calcium oxide under open air conditions. The calcined eggshell catalyst was characterized by X-ray diffraction (XRD). Then the eggshell derived CaO catalyst was subjected to transesterification of used cooking oil (UCO). The parametrics in the transesterification of used cooking oil such as a methanol to oil ratio, weight of catalyst and reaction temperature were evaluated. The optimum result exhibited a 4:1 methanol to oil ratio, 2wt % catalyst, and a 65 °C reaction temperature within two hours. Pure calcined CaO acted as the control of the experiment that was subject to the most optimum eggshell derived catalyst transesterification conditions. The catalytic activity for both the pure calcined CaO and the calcined eggshell derived catalyst were comparable. The biodiesel formation was identified by gas chromatography mass spectrometry (GC-MS).

We have investigated the crystal and magnetic structures of α -MnC 2 O 4 ·2H 2 O and γ-MnC 2 O 4 ·2H 2 O by the frame of density functional theory calculations and the augmented plane wave approach as implemented in the WIEN2k code. We also present a generally applicable approach step-wise dehydration process of MnC 2 O 4 ·3H 2 O based on molecular dynamic simulations. Also, first principles calculations of NMR parameters along with the magnetic susceptibility were performed to reveal new insights into a quite exotic behavior which hampered the experimental way once by the domination of large paramagnetic shift of the d-electrons. The proposed approach paves the way for setting possible widenings by the implementation of computational strategies for such type of systems.

In chemical graph theory, a single numeric number related to a chemical structure is called a topological descriptor or topological index of a graph. In this paper, we compute analytically certain topological indices for H-Naphtalenic nanosheet like Randic index, first Zagreb index, second Zagreb index, geometric arithmetic index, atom bond connectivity index, sum connectivity index and hyper-Zagreb index using edge partition technique. The first multiple Zagreb index and the second multiple Zagreb index of the nanosheet are also discussed in this paper.

Glass fibers are degraded when they are exposed to water. In this work, a model is developed that uses zero-order kinetics for predicting a decreasing glass fiber radius. The model is used to describe experimental test results of almost half a year long-term dissolution of R-glass fibers. The model is able to predict both mass loss and radius reduction kinetics using the same four parameters: initial fiber radius ( r 0 ), rate constants for both short-term degradation K0I$\left( K_{0}^{I} \right)$and steady-state degradation K0II$\left( K_{0}^{II} \right)$and the time when steady-state kinetics are reached ( t st ). All parameters can be easily determined from initial radius measurements and mass loss evolution in time. Elements released and detected during degradation were Na, K, Ca, Mg, Fe, Al, Si and Cl. Rate constants were obtained for individual ion release and for the total mass loss. The contribution of Si to the total mass loss was the largest (56.1% by mass). It governed the dissolution process. The kinetics of radius reduction are also reported. The radius reduction was found to be linear with time during the steady-state dissolution. The zero-order kinetic constant and the density of the glass describe the rate (proportionality) of the dissolution.

A topological index is a map from molecular structure to a real number. It is a graph invariant and also used to describe the physio-chemical properties of the molecular structures of certain compounds. In this paper, we have investigated a chemical structure of pentacene. Our paper reflects the work on the following indices: R α , M α , χ α , ABC , GA , ABC 4 , GA 5 , PM 1 , PM 2 , M 1 ( G , p )and M 1 ( G , p ) of the para-line graph of linear [ n ]-pentacene and multiple pentacene.

The present work proposes a schematic model for predicting the water vapor transmissibility in hybrid nanocomposites based on bromobutyl (BIIR)/epichlorohydrin (CO) rubber blends. Morphology study reveals the exfoliation of nanoclay and development of hybrid nanostructures in the rubber nanocomposites. A unique correlation between water vapor transmissibility and gas (oxygen) permeability through the rubber nanocomposites has been systematically derived. The prediction of relative water vapor transmissibility was achieved by considering the polar path along with the existing tortuous path and has been validated. Interestingly, it is found that the water vapor transmissibility (T W ) directly depends on the weight fraction of the polar rubber (Φ P ) in the rubber blend and permeability to gas (P G ) of the nanocomposites.

Sulfite is a widely applied preservation agent, against oxidative decay in foodstuffs and beverages. Among the analytical methods applied, electrochemical techniques exploit its facility to undergo oxidation. This paper aims at the comparative investigation of the performances exhibited by three analytical methodologies: cyclic voltammetry at different Pt working electrodes, the volumetric method employing sodium thiosulfate as titrating agent and the photocolorimetric method relying on the reduction of Fe 3+ -orthophenanthroline complex by sulfite. The cyclic voltammetric assay was performed at Pt strip and Pt ring electrodes, by linearly sweeping the potential between -100 and 1,500 mV. The linear range corresponded to 7.5 mg L -1 – 4.0 g L -1 for Pt strip working electrode and to 15.5 mg L -1 – 4.0 g L -1 for Pt ring working electrode. Relative standard deviations smaller than 3% showed repeatability. RSD values smaller than 3% were also obtained in the photometric assay, but the latter was characterised by a narrower linear range. The Pt strip electrode allowed wider linear range and lower sensitivity, whereas the Pt ring electrode with Ag/AgCl reference in the same unit was characterised by better repeatability. Applications involved sulfite assay in vinegar, brown sugar and cider samples with consistency between cyclic voltammetry and titrimetry.

A microRNA (miRNA) nanomedicine PEG-PEI/miR-221/222 was synthesized based on PEGylated polyethylenimine PEG-PEI and used to transfect prostate cancer cells (PC-3) in vitro . Gel retardation assay confirmed the formation of nanomedicine, of which the zeta potential and particle size were determined by dynamic light scattering. Its cytotoxicity was analyzed by CCK-8 assay-while its transfection efficiency was analyzed by flow cytometry. Cell uptake and intracellular distribution of nanoparticles were evaluated using laser confocal microscopy. RT-PCR and western-blot assays were conducted to verify the regulation of SIRT1 target gene. We found that the properties of the nanocomplexes of miRNA and PEG-PEI depended on N/P ratios. At higher N/P ratio, accompanied by higher zeta potential and higher cytotoxicity, PEG-PEI is needed to completely condense the miRNA into small particles with uniform size distribution. Under an N/P ratio of 20, high transfection efficiency and low carrier cytotoxicity were obtained simultaneously in PC-3 cells in vitro . Consequently, the SIRT1 expression was up-regulated due to the nanoparticle-delivered miR-221/222, which resulted in effective inhibition of PC-3 cells. Our study revealed the PEG-PEI/miR-221/222 nanomedicine as a prospective alternative for treatment of advanced prostate cancer and also lays a foundation for future in vivo investigation.

Compounds Rh6G-1 and RhB-2 with a novel receptor composed of tri-oxygen atoms of amide groups were designed and synthesized as new reversible fluorescent sensors for Fe 3+ . The prominent features of the novel sensor Rh6G-1 include a large fluorescence turn-on response in essentially pure water at room temperature, high sensitivity, high selectivity, a limit of detection, cell membrane permeability, and low cytotoxicity. These desirable attributes enable us to successfully employ the new sensor Rh6G-1 for Fe 3+ bioimaging in living cells.

In the present study, the Fe-doped TiO 2 modified nanoparticles was successfully synthesized by the combination of the sol-gel method and heat treatment, and the degradation of methyl orange was tested by the combination method of ultrasonic radiation and mechanical agitation. The effects of different factors on the degradation of methyl orange (MO) solution were studied, such as ultrasonic irradiation time, the ultrasonic frequency, the added amount of catalyst, the initial pH value, the initial concentration of methyl orange, and revolutions per minute. The optimal experimental conditions for sonocatalytic degradation of the MO obtained were: ultrasonic irradiation time = 60 min, pH value = 3.0 and revolutions per minute = 500 rpm. By means of response surface analysis, the best fitting conditions were as follows: ultrasonic frequency = 36.02 kHz, added amount of catalyst = 490.50 mg/L, the initial concentration of methyl orange = 9.22 mg/L, and the optimum condition was close to the experimental data by response surface method. Under optimal conditions, the sonocatalytic degradation of MO was 99%. The degradation of MO showed that the combination of Fe-doped modified TiO 2 nanoparticles, mechanical agitation and ultrasonic irradiation was discovered that can degrade methyl orange effectively in aqueous solution. Graphical Abstract

The process to extract rhenium from a superalloy is an immense technical challenge due the complex chemistry involved. Being one of the rarest elements in the earth’s crust the scarcity and cost of rhenium makes it advantageous to recover the element from scrap superalloy. In this research the separation and monitoring of the different stages of the recycling process to extract rhenium from CMSX-4 superalloys using a distillation process were performed. This novel method combining distillation and use of exchange resins was used to separate rhenium from a complex mixture of metals in the CMSX-4 superalloy. The identification and quantitation of perrhenate and contaminants were performed by atomic absorption spectroscopy (AAS), Fourier transform infrared spectroscopy (FTIR), ion chromatography (IC) and Scanning Electron Microscopy- Energy Dispersive X-Ray (SEM-EDX). Perrhenate ions were extracted with purity close to 93%. The analytical characteristics for a novel infrared method to quickly identify perrhenate anions from CMSX-4 are presented. The main characteristics of the analytical validation were: LoD: 0.5% w/w; LoQ: 1.5% w/w; linear range 1.5-100% w/w; correlation coefficient R 2 = 0.9905; precision (%RSD) for 10%w/w = 6.6 and 75%w/w = 4.1, respectively; accuracy (%) for 10% w/w 99.6% and 75% w/w=101.1, respectively.

Recycling phosphorus from waste for fertilization purposes appears to be an alternative for non-renewable sources and a solution for managing harmful products of civilisation. Fertilizers from secondary raw materials are considered to be safe to the environment. This study presents an assessment of the effects of five new biofertilizers made from sewage sludge ash and/or animal bones on the content of cadmium and lead in the soil, in wheat grains and straw (test plant), in the mass of the the accompanying weeds and in the post-harvest residues. Biofertilizers were produced in the form of suspension or granules and activated using Bacillus megaterium or Acidithiobacillus ferrooxidans bacteria. They were tested in four field experiments. The Cd and Pb contents of the soil and plant material were determined using the ICP-MS technique. Similar to superphosphate, new biofertilizers showed no change in the Cd and Pb contents of the soil and plants biomass when applied at amounts up to 80 kg; P 2 O 5 ha −1 . Both Cd and Pb in the soil and plants occurred naturally, and the amounts were within the acceptable standards. Biofertilizers from renewable raw materials, with low toxic element contents, are not thought to pose a hazard to the soil and plants when applied in reasonable amounts. They can be a substitute for conventional phosphorus fertilizers.

Due to the simplicity of tea preparation (pouring hot water onto different dried herbs) and its high popularity as a beverage, monitoring and developing a screening methodology for detecting the metal content is very important. The concentrations of Cd, Ca, Cr, Cu, Fe, Pb, Mg, Mn, Hg, Na and Zn in 8 samples of green tea ( Camellia sinesis ) and in 11 samples chamomile ( Matricaria chamomilla L.) purchased both at local herbal pharmacies and supermarkets were determined using electrothermal atomizer atomic absorption spectrometry (ETAAS) and flame atomizer atomic absorption spectrometry (FAAS). The found concentrations in chamomile were: Cd (0.008 – 284 mg kg −1 ), Ca (2.42 – 6.29%), Cr (0.91 – 6.92 mg kg −1 ), Cu (6.27 – 11.39 mg kg −1 ), Fe (133.5 – 534 mg kg −1 ), Pb (0.561 – 1.277 mg kg −1 ), Mg (2.27 – 3.73%), Mn (62.2 – 165.6 mg kg −1 ), Hg (0.660 – 1.346 μg kg −1 ), Na (0.91 – 1.28%) and Zn (63.37 – 108.5 mg kg −1 ), in green tea Cd (36.29 – 202.1 mg kg −1 ), Ca (2.77 – 6.40%), Cr (1.520 – 5.278 mg kg − 1), Cu (9.354 – 22.56 mg kg −1 ), Fe (162.6 – 513.3 mg kg −1 ), Pb (1.808 – 4.770 mg kg −1 ), Mg (1.41 – 2.62 %), Mn (1.147 – 1.729 g kg −1 ), Hg (1.045 – 2.802 μg kg −1 ), Na (0.44 – 0.98%) and Zn (30.65 – 115.6 mg kg −1 ), respectively. Principal Component Analysis (PCA) was applied to identify factors (soil, climate and country of origin) influencing the content of the measured elements in herbal samples. The proposed methodology developed in this work was successfully applied to the detection of metals in herbal samples. The analysis showed that the content of toxic metals in green tea samples was significantly higher and very close to the maximum dose recommended by the World Health Organization (WHO).

The agricultural usability of biogas digestate solids (BDS) as a soil amendment depends upon its impact on soil fertility and the content of minerals in the edible part of the grown crop. This hypothesis was verified in a series of field experiments with maize conducted between 2014 and 2016 at Brody, Poland. The two-factorial experiment consisted of the DBS application method (broadcast and row) and its rate: 0, 0.8, 1.6, 3.2 t ha –1 . The post-harvest analysis of soil fertility showed that BDS can, at least partly, replace mineral fertilizers. The supply of N-NO 3 to maize as a growth driving factor was significantly limited by a shortage of iron, potassium and, to some extent, magnesium. As recorded in 2016, the shortage of available Fe resulted in a low/pool of N-NO 3 , thus significantly decreasing the yield of grain. The shortage of K supply to grain created a pathway for the accumulation of other elements, including heavy metals. The disadvantage of the N-NO 3 pool increase, due to the DBS application, was concomitant with the enhanced intake of cadmium and lead, which consequently exceeded their permissible concentration limits in grain. These unfavorable results of biogas digestate impact on the quality of maize grain can be ameliorated by incorporating zinc into the biogas type of soil amendment and keeping a sufficiently high level of available potassium and iron. The shortage of K can be partly overcome by a better sodium supply, however, its accumulation in grain results in an enhanced accumulation of cadmium and lead.

Simulations of heat transfer between air and flue gases in a plate heat exchanger are presented. The device was designed for the heating of the air supplying a fluidised furnace for the combustion of wet sludge and wood crumbs. The locations of inlets and outlets and the geometry of the heat exchanger are determined by the construction of the furnace. The aim of the simulations was to increase effectiveness of heat transfer through the use of flow redirections with additional baffles placed in the air chamber. The results of the simulations showed that a substantial part of the heat exchanger without baffles is not used effectively. On the basis of a velocity profile, a temperature distribution and a wall heat flux, the geometry of the inter-plate space within the air chamber was modified by adding baffles. The unmodified exchangers had 77% efficiency in comparison to counter-current exchangers with the same heat transfer area. After the application of baffles, the efficiency increased to 83-91% depending on the construction used (one, two or three baffles). The best model variant of the exchanger with baffles led to the increase in the temperature of air supplying the fluidised bed by approximately 76 K in relation to the system without baffles . Unexpectedly, the presented modifications of the geometry of the system had very low influence of the flow resistance in the air chamber. The value of Δp for the system without baffles is almost the same as for the best model variant.

The research was conducted to evaluate the possibility of using algae enriched with Cr(III) ions as a feed additive for horses. As a sorbent, macroalga Cladophora glomerata was chosen. The results of the kinetic and equilibrium experiments on biosorption of Cr(III) ions are presented. The pseudo-second order model was used for the description of kinetics. Equilibrium of biosorption process was described by Langmuir model. The effect of biosorbent dose: 0.1–1.0 g·L -1 , initial metal ions concentration: 100–300 mg·L -1 and pH: 3–5 on the biosorption capacity in a batch system was evaluated. These factors played a significant role in affecting the biosorption capacity of biosorbent and the rate constant. Optimal pH for biosorption was 5, biosorbent dose 0.1 g·L -1 , initial concentration of Cr(III) ions 300 mg·L -1 . The maximum biosorption capacity determined from Langmuir equation was 107.5 mg·g -1 (for C S 1.0 g·L -1 , pH 5). The experiments were also performed in a column system and they showed that almost 100% of Cr(III) ions were absorbed after 200 minutes. The FTIR and SEM-EDX technique confirmed binding of Cr(III) ions by the algal biomass. Due to very good biosorption properties, Cladophora glomerata can be considered as a carrier of microelement ions in animal feeding.

The dry-hot valley region counts as one of the most eco-sensitive zones in China, the issue of soil erosion is critical in regional ecological environment, soil mechanical property is one of the primary factors confining the occurrence of erosion, and it is attached crucial significance to in ascertaining the characteristics and principal factors of soil mechanics, and how to prevent and control soil erosion in arid red soil area of dry-hot valley. Through monitoring field location and directly shearing, the soil mechanical characteristics and the primary influencing factors of the mass erosion environment in the basin were ascertained. As the result indicates: (1) The soil moisture content, cohesion and internal friction angle are evidently correlated with each other abiding by power function, the relationship among soil cohesion, internal friction angle and volume moisture content goes as: c=80.107e− 5.451ω 1.64+ω ,ϕ =65.646e− 3.325ω 1.64+ω ;$$\begin{array}{} \displaystyle c=80.107e^{-5.451\frac{{\it\omega}}{1.64\,+\,{\it\omega}}},\phi=65.646{\rm e}^{-3.325\frac{\omega}{1.64\,+\,\omega}}; \end{array}$$ (2) The soil being large in pore radius vary in number and distribution evidently with structure and destruction degree ( P <0.05). Soil aggregation was also significantly different (P<0.05), with the increasing of structural failure rate, the shear strength of soil decreased, and the probability of damage was increased as the external load increaseing. (3) The disintegration of soil can be effectively decelerated, and anti-disintegration ability of soil can be enhanced by the root system. The impact exerted by plant root system on shear strength of soil decreased as soil got deeper, more than a certain depth can be ignored; the impact exerted by plant root system on small-scale gravitational erosion was particularly evident, whereas the impact exerted by large-scale mass erosion was comparatively small. The ability of plant roots to optimize soil resistance was primarily through the roots shorter than 2 mm, the effective fibrous roots in the soil of the Leucaena Benth and the Dodonaea angustifolia were comparatively small, and the root of the herbaceous plants was comparatively large.

The purpose of this study was to establish the free amino acids profile of Viola tricolor collected from different habitats in Poland. Viola tricolor (heartsease) is a very popular plant found worldwide, classified both as weed and medicinal plant. Based on a validated method, the following nineteen free amino acids were analyzed using liquid chromatography-electrospray ionization coupled to a triple quadrupole mass spectrometer (LC-ESI-MS/MS):alanine, glycine, leucine, valine, isoleucine, proline, phenylalanine, tryptophan, tyrosine, serine, threonine, methionine, asparagine, glutamine, lysine, arginine, histidine, aspartic acid, glutamic acid. The total free amino acids (TAA) ranged from 9938.0 to 11393.8 mg/kg of fresh weight. The variability of the investigated amino acids with respect to different habitat conditions was statistically assessed using the method of discriminant and cluster analysis. Alanine, valine, glutamine and aspartic acid were the most abundant free amino acids present in both localizations. The ratio of total essential amino acids (EAA) to TAA was 0.27 and 0.11 in Zagródki and Wrocław, respectively. Discriminant analysis has demonstrated that the investigated habitats significantly differentiated the free amino acids content of Viola tricolor . Only methionine showed a similar concentration in both Viola tricolor populations.

Aim of the study was to evaluate the influence of filler amounts on mechanical properties and contraction stress of light-curing experimental composite. Hardness, flexural strength, diametral tensile strength of material filled with 40, 50 or 60 wt. % of silanized silica were tested. The contraction stress was measured after 24 h by means of photoelastic study. The addition of 40-60 wt. % filler to composite caused significant increase in hardness, Young’s modulus and flexural strength. The DTS , after incorporating filler into polymer matrix, was valued at ~26 MPa. The composite containing 40 wt. % of filler demonstrated significantly lower contraction stress in comparison to neat resin and filled > 50 wt. % of silica.

The goal of this study was to assess the suitability of poultry wastewater for the irrigation of farmland soil as a possible substitute for regular water and fertilizers. The vertical and spatial variability of soil total nitrogen (STN), soil total phosphorus (STP) and soil organic carbon (SOC) was analyzed during the growing season of summer maize in two types of soil: an experimental group (EG) soil, irrigated once only with poultry wastewater, and a control group (CG) soil, irrigated once only with regular water. Results revealed no difference in STP concentration, SOC concentration, nitrogen storage and phosphorus storage between EG and CG soils (all p>0.05); STN concentration in the 5–15 cm layer and carbon storage were higher in EG soil (p<0.05) while remaining within safety limits. Overall, single-time irrigation by poultry wastewater enhances nitrogen and carbon content of soil and does not pose a serious risk of pollution for ground water.

The aim of the study was to evaluate the effect of nitrogen (N) and sulphur (S) fertilizers on the content and uptake of macronutrients by grain dry mass (DM) of spring wheat. A field experiment was conducted in southeastern Poland on Cambisols (WRB 2007), in conditions of low S content in the soil. The experiment included 2 factors: fertilization with N (0, 40, 80, 120 kg ha -1 ) and with S (0, 50 kg ha -1 ). The experiment showed a positive response of spring wheat to N and S fertilization. The highest grain yield was found after application of 80 kg N ha -1 and addition of 50 kg S ha -1 (5.43 t ha -1 ). The described combination resulted in beneficial content of phosphorus (P), potassium (K), magnesium (Mg), calcium (Ca) (P –4.267, K–4.533, Mg–1.567, Ca–0.433 g kg -1 ) and uptake of macroelements by grain dry mass (DM) (P–20.48, K–21.79, Mg–7.52, Ca–2.08 kg ha -1 ). A generally positive correlation was found between content and uptake of macronutrients with exception of P content. Fertilization with N caused significantly narrowed mass ratios of K + : Ca 2+ , K + : Mg 2+ and mass and mole ratio of K + :(Ca 2+ +Mg 2+ ) and increased mass ratio of Ca:P. While S application narrowed significantly, mass ratios of K + :Ca 2+ and K + : (Ca 2+ + Mg 2+ ) and increased mass ratio of Ca:P.

In the present study, synergistic effects between the application of near-infrared radiation (NIR) and macroalgal extracts on the germination of soybean seeds were searched for. NIR is captured by special photoreceptors (i.e. phytochromes, cryptochromes and phototropins) and next plants generate a wide range of specific physiological responses through these receptors. For the study, a special system of NIR was applied to irradiate soybean seeds. To our knowledge, this is the first time this kind of radiation was used for the biostimulation of soybean seeds. Previously, the effect of other ranges of light (e.g. green, red, blue) was analysed in terms of photosynthetic activity, growth and yield of different plants, except seeds. NIR for 3 and 5 minutes was also combined with the application of macroalgal extracts used for seeds soaking. They are known as a rich source of biologically active compounds that can stimulate plant growth. These preliminary studies show that the examined factors can stimulate plant’s growth and their quality.

The paper presents concentrations and correlations between Zn, Cd and Pb in the aboveground parts of purple moor-grass ( Molinia caerulea L.) in forest soils heavily contaminated with heavy metals around a zinc and lead ore tailing landfill at Mining & Metallurgy Enterprise “Bolesław” SA in Bukowno. Field observations have indicated that purple moor-grass, which occurs as one of the few vascular plants in locations with tailing mud, is probably a species with high adaptability to conditions in contaminated environments. The research was carried out in a network of 20 regular monitoring sites. At these sites, a detailed inventory of purple moor-grass was carried out and samples of the aboveground parts of the plants were collected from the leaves and ears and from the soil at a depth of 0-20 cm. It was found that there was no significant correlation between the concentration of heavy metals in the soils and aboveground parts of the plants in the most heavily contaminated zones. This may indicate the existence of mechanisms limiting uptake of heavy metals by this species, and therefore the need for further research in the context of its suitability for biological regeneration of tailing landfills and phytosanitary protection of adjoining areas.

Capsinoids exhibit health-promoting properties and are therefore compounds of interest for medical and food sciences. They are minor compounds present in relatively high concentrations in only a few number of pepper cultivars. It is desirable to quantify capsinoids to provide selected cultivars with high capsinoid contents, which can then be employed as health food product. Quantifying low concentrations of capsinoids from pepper fruit requires a precise and selective analytical technique such as HPLC coupled to electrospray ionization - mass spectrometry, with development of an internal standard essential. In this work, the synthesis method of a novel compound analogue of capsinoids, the (±)-3,4-dimethoxybenzyl-4-methyloctanoate, which could be a suitable internal standard for capsinoid determination by electrospray ionization - mass spectrometry is described. (±)-3,4-dimethoxybenzyl-4-methyloctanoate was stable under the analysis conditions and exerted chemical and physical properties similar to those of capsinoids. This internal standard will provide an accurate capsinoid determination by electrospray ionization - mass spectrometry, thus facilitating the pepper breeding programs, screening pepper cultivars and a better understanding of capsinoid biosynthetic pathway. Graphical Abstract

Repellent activity of monoterpenoid esters ( 1-6 ) with neurotransmitter amino acids (GABA and glycine) was investigated against Aedes aegypti by using a “cloth-patch” assay and compared to reference standard N , N -diethyl-3-methylbenzamide (DEET). Monoterpenoid esters showed repellent activity with minimum effective dosages (MED) in the range of 0.031-0.469 mg/cm 2 . The carvacrol ester of GABA ( 2 , MED of 0.031 ± 0.008 mg/cm 2 ) exhibited the highest repellency of six monoterpenoid esters tested in comparison to the standard repellent DEET (MED of 0.009 ± 0.002 mg/cm 2 ); however, the repellent activity of carvacrol-glycine ester ( 5 ) decreased 4-fold compared to the carvacrol-GABA derivative ( 2 ). The repellent activities of menthol GABA ( 1 , MED= 0.375 ± 0.000 mg/cm 2 ) and glycine ester ( 4 , MED=0.312 ± 0.063 mg/cm 2 ) were similar The guaiacol-glycine ester ( 6 ) was 3.75-fold more efficacious than the guaiacol ester of GABA ( 3 ). In the present study, we report repellent efficacy of prolonged exposure to GABA and glycine esters of menthol, carvacrol, guaiacol ( 1 - 6 ) as compared to the repellent activities of their monoterpene moieties alone.

Flammulina velutipes , (Curt. ex Fr.) Sing, a popularly edible fungus, has been widely used both as a restorative drug and a tonic food in China. In the current study, the effect of F . velutipes polysaccharides was evaluated with a constipated rat model induced by loperamide hydrochloride. The rats were divided into six groups: normal group, model group, positive control group, F . velutipes polysaccharides high, moderate and low dose groups. Rats were given 2 mL of Loperamide hydrochloride (3 mg·kg·d), by intragastric administration 2 times per day for 10 days. F . velutipes polysaccharides at the doses of 600, 400 and 200 mg/kg (1 mL/100g weight) were administered to treat rats with constipation for 7 days. The gastrointestinal hormones, including motilin (MTL), gastrin (GAS), substance P (SP), somatostatin (SS), and intestinal propulsive rate and feces weight at 24 hours after treatment were used as the indexes to evaluate the effects of F . velutipes polysaccharides on constipation. The levels of MTL, GAS and SP in serum significantly increased and the levels of SS in serum of rats significantly decreased after the treatment of rats with F . velutipes polysaccharides as compared with those of rats in the model group.

Thrombosis is a major cause of morbidity and mortality worldwide and plays a pivotal role in the pathogenesis of several cardiovascular disorders, including acute coronary syndrome, unstable angina, myocardial infarction, sudden cardiac death, peripheral arterial occlusion, ischemic stroke, deep-vein thrombosis, and pulmonary embolism. Anticoagulants, antiplatelet agents, and fibrinolytics can reduce the risks of these clinical events. Especially, the blood coagulation factor Xa (FXa) inhibitor is a proven anticoagulant. Promoting blood circulation, using traditional Chinese medicine (TCM), for the treatment of these diseases has been safely used for thousands of years in clinical practice. Therefore, highly safe and effective anticoagulant ingredients, including FXa inhibitors, could be found in TCM for activating the blood circulation. One FXa inhibitor, a pentacyclic triterpene (compound 1 , betulinic acid) characterized by IR, MS and NMR analyses, was isolated from the ethyl acetate fraction of Lycopus lucidus by bioassay-directed fractionation. Compound 1 exhibited an inhibitory effect on FXa with IC 50 25.05 μmol/L and reduced the thrombus weight in an animal model at 25-100 mg/kg. These results indicate that betulinic acid could be the potential for anticoagulant therapy.

In this investigation we examined the essential oils of three aromatic plants, Zanthoxylum armatum , Juniperus communis , and Dysphania ambrosioides , which are used by the local population of the western Himalayan region for medicinal purposes. These plants were studied for their antifungal, larvicidal and biting deterrent activities. Additionally, chemical compositions of the oils were determined by GC-MS and their odor evaluated. The main compounds were 2-undecanone (47.7%) and 1,8-cineol (20.5%) from Z . armatum and α-pinene (43.2%) and limonene (34.7%) from J . communis . p-Cymene (36.3%) and ascardiole (31.2%) were found as the main components of D . ambrosioides essential oil. Antifungal activity was evaluated against three Colletotrichum species. Dyspania ambrosioides oil showed the best activity against these strawberry anthracnose causing fungi. It also demonstrated biting deterrent activity against Aedes aegypti similar to DEET as positive control, whereas Z . armatum and J . communis were less effective against Colletotrichum and mosquitoes.

Hyssopus officinalis L. is a common plant that is most usually found in three color forms - f. cyaneus (blue), f. ruber Mill. (purple/pink) and f. albus Alef (white). In the present work, we evaluated the chemical composition and antimicrobial activity of essential oils obtained from Polish-sourced white- and pink-flowered H . officinalis . Gas chromatography-mass spectrometry analysis of the essential oil has shown that both forms of color have a different content of main components. The principle essential oil component of white-flowered H . officinalis L. was pinocamphone (51%), while pink-flowered H . officinalis L. contained almost equal amounts of pinocamphone (28.8%) and isopinocamphone (21.9%). Of note, the essential oil of the pink form was more active against Grampositive bacteria, especially against Bacillus subtilis .

An ethanol extract from Veratrum lobelianum Bernh. rhizomes showed larvicidal activity with LC 50 values of 11.79 ppm and 89.9 ppm against 1 st and 4 th instar larvae, respectively, at 24 h post-treatment. The extract also showed proportion not biting (PNB) value of 0.76 at 100 μg/cm 2 against females of Ae . aegypti . Systematic bioassay-guided fractionation of V . lobelianum extract resulted in the isolation of five compounds that were identified as ethyl palmitate ( 1 ), ethyl linoleate ( 2 ), β-sitosterol ( 3 ), resveratrol ( 4 ) and oxyresveratrol ( 5 ) by GC-MS, 1 H-NMR, and 13 C-NMR techniques, comparison with literature data, and confirmation with authentic compounds. Compound 2 exhibited larvicidal activity with an LC 50 value of 24.1 (22.0-26.2) ppm whereas 1 was inactive. β-Sitosterol ( 3 ) displayed the highest larvicidal activity with LC 50 = 1.7 (1.3-12.3) ppm and LC 90 = 5.1 (3.4-13.8) ppm. Compounds 4 and 5 had larvicidal activity with LC 50 values of 18.5 (15.3-23.3) and 22.6 (19.0-26.8) ppm, respectively, and had an equivalent PNB values of 0.75 at 25 nmol/cm 2 . In addition, 4 and 5 were explored for their human-based repellency against Ae . aegypti , attractiveness against male medflies Ceratitis capitata , and also evaluated against series of human carcinoma cells (A549, HEK293, HeLa, SH-SY5Y); however, no significant activity was found.

Terpineols are monocyclic monoterpene tertiary alcohols which are naturally present in plant species. There are five common isomers of terpineols, alpha-, beta-, gamma-, delta- and terpinen-4-ol, of which α-terpineol and its isomer terpinen-4-ol are the most common terpineols found in nature. α-Terpineol plays an important role in the industrial field. It has a pleasant odor similar to lilacs and it is a common ingredient in perfumes, cosmetics, and aromatic scents. In addition, α-terpineol attracts a great interest as it has a wide range of biological applications as an antioxidant, anticancer, anticonvulsant, antiulcer, antihypertensive, anti-nociceptive compound. It is also used to enhance skin penetration, and also has insecticidal properties. This study reviews the relevance of α-terpineol based on scientific findings on Google Scholar, Pubmed, Web of Science, Scopus and Chemical Abstracts. Collectively, the use of α-terpineol in medicine and in the pharmaceutical industry plays an important role in therapeutic applications. This review will, therefore, support future research in the utilization of α-terpineol.

Redbay ambrosia beetle, Xyleborus glabratus , is native to Southeast Asia, but subsequent to introduction in Georgia in 2002, it has become a serious invasive pest in the USA, now established in nine southeastern states. Females vector Raffaelea lauricola , the fungus that causes laurel wilt, a lethal vascular disease of trees in the family Lauraceae. Laurel wilt has caused extensive mortality in native Persea species, including redbay ( P . borbonia ), swampbay ( P . palustris ), and silkbay ( P . humilis ). Avocado ( P . americana ) is now impacted in Florida, and with continued spread, laurel wilt has potential to affect avocado and native Lauraceae in California, Mexico, and throughout the American tropics. Effective lures for detection and control of X . glabratus are critical to slow the spread of laurel wilt. No pheromones are known for this species; primary attractants are volatile terpenoids emitted from host Lauraceae. This report provides a concise summary of the chemical ecology of X . glabratus , highlighting research to identify kairomones used by females for host location. It summarizes development of essential oil lures for pest detection, including discussions of the initial use of phoebe and manuka oil lures, the current cubeb oil lure, and a newly-developed distilled oil lure enriched in (-)-α-copaene.

The aim of this study was to investigate polyphenolic composition of different parts (leaves, flowers and fruits) of Crataegus almaatensis Pojark, an endemic plant of Kazakhstan, and compare it to a well known European Crataegus oxyacantha L. flowers. A Qual-Quant analysis was performed based on HR-MS measurements on 22 secondary metabolites: flavonoids and phenolic acids. Another goal was to evaluate the antioxidant potency of hawthorn extracts which was expressed in the total phenolic content and DPPH scavenging potency tests. Leaf extracts from C . almaatensis were found to be the most rich in metabolites and the most active in antiradical tests (IC 50 value of 48 μg/ml and TPC of 218 mg/g). The weakest potential was determined for the fruit extract of this species. According to the performed principal component analysis (PCA), the fruit extracts were not correlated with other organs of the plant, and the metabolites responsible for the extracts’ differentiation were cyanidin 3-glucoside and quetcetin 3-galactoside. Based on a high correlation factor, the flowers of the Kazakh species was found to be as rich in polyphenols as the European hawthorn. The results of this study indicate that C. almaatensis is a promising source of natural antioxidants. Graphical Abstract

In the present work, an endemic species Prangos heyniae collected in four locations from Turkey was subjected to hydrodistillation in Clevenger type apparatus to obtain the essential oils (EO1-4). The gas-chromatography/mass spectrometry (GC/MS) and gas-chromatography-flame ionization detector (GC/FID) analyses showed that the EOs were rich in sesquiterpenes, germacrene D (10.3-12.1%), β-bisabolene (14.4%), kessane (26.9%), germacrene B (8.2%), elemol (3.4-46.9%), β-bisabolenal (1.4-70.7%), β-bisabolenol (8.4%) and an eudesmane type sesquiterpene ( 1 ) (16.1%) with [M+218]. This unidentified compound ( 1 ) was isolated in a rapid one-step manner with >95.0% purity using Preparative Capillary Gas Chromatography (PCGC) with an HP Innowax column connected to a Preparative Fraction Collector (PFC) system. Structure determination was accomplished from 1D- and 2D-NMR spectroscopic data which determined a new eudesmane type sesquiterpene, 3,7(11)-eudesmadien-2-one ( 1 ). Using a biting deterrent bioassay, the mean proportion not biting (PNB) values of the P . heyniae EO1-4 were 0.88 for EO1 and 0.80 for EO2 which were similar to the positive control DEET ( N , N -diethyl-3-methylbenzamide). The EO3 and EO4 had lower PNB values of 0.64 and 0.44, respectively. P . heyniae EO1-4 showed good larvicidal activity at 125 and 62.5 ppm whereas EO1-3 were slightly less effective at the dose of 31.25 ppm and EO4 was not active at 31.25 ppm against 1 st instar Aedes aegypti .

The polyphenol profile, antioxidant activity (particularly peroxyl radical-scavenging capacity (PSC) and cellular antioxidant activity (CAA)) and cytotoxicity of extracts from seven varieties of blue honeysuckle were compared in this study. Moreover, an analysis of correlations between individual polyphenol profiles and antioxidant activities was also conducted. Seventeen components were found in the investigated blue honeysuckle extracts, with anthocyanins being the prominent bioactive components among polyphenols. Fruit peel contained higher concentrations of individual anthocyanins compared to the fruit pulp. Beilei blue honeysuckle had the highest antioxidant activity. Correlation analysis showed that antioxidant activity values were highly associated with cyanidin-3-glucoside levels. Blue honeysuckle extracts were not cytotoxic over the range of doses tested. Among the varieties analyzed, Beilei possessed the highest antioxidant properties and was found to be the most appropriate source of natural antioxidants.

Energy security is one of the major components of energy sustainability in the world’s energy performance. In this study, energy security is taken as an ordinal response variable coming from the multinomial distribution with the energy grade levels A , B , C , and D . Thereafter, the world energy security data is tried to be statistically modelled by using generalized linear model (GLM) approach for the ordinal response variable under different cumulative link functions. The cumulative link functions comparatively used in this study are cumulative logit, cumulative probit, cumulative complementary log-log, cumulative Cauchit, and cumulative negative log-log. In order to avoid a multicollinearity problem in the data structure, principal component analysis ( PCA ) technique is integrated with the GLM approach for the ordinal response variable. In this study, statistically, the importance of determining the best cumulative link function on the accuracy of parameter estimates, confidence intervals, and hypothesis tests in the GLM for the multinomially distributed response variable is highlighted. In terms of energy evaluation, by using cumulative logit as the best cumulative link function, energy sources consumptions , electricity productions from nuclear energy , natural gas , oil , coal , and hydroelectric , energy use per capita and energy imports are found to have statistically significant effects on energy security in the world’s energy performance.

Natural fibers are known to be environmentally friendly, and they can be used as an alternative to glass and carbon fibers because of their low cost. Pine cone fibers are a good choice for use in composite manufacturing because they mainly consist of cellulose, hemicelluloses, and lignin macromolecules which provide a hydrophilic character.The potential pine cone forest reserve of Turkey is 54,000 ha. Boron compounds such as borax, boric acid. and zinc borate are generally used for their flame-retardant effect. In this study, three kinds of boron compounds, boron oxide, borax pentahydrate and borax decahydrate, were used to provide better mechanical properties and better incombustibility. The synergistic effects of both waste pine cone and boron compounds were sampled for the manufacture of polyester composites by using a casting process. The composites produced with different fiber contents were characterized by some mechanical properties (bending strength, flexural modulus, izod impact); physical analyses (water absorption, swelling thickness, open porosity, bulk density); flame retardancy (LOI); and TGA, SEM-EDS, and FT-IR analyses. According to mechanical test results, boron oxide showed better bending strength and flexural modulus compared to the other boron compounds. The LOI of composites with a boron compound was higher than the composites with only pine cone reinforcement. Graphical Abstract

Many austenitic stainless steel components are used in the construction of nuclear power plants. These components are joined by different welding processes, and radiation damages occur in the welds during the service life of the plant. The plants are inspected periodically with ultrasonic test methods. Many ultrasonic inspection problems arise due to the weld metal microstructure of austenitic stainless steel weldments. The present research was conducted in order to describe the affects of probe angle and probe frequency of both transversal and longitudinal wave probes on detecting the defects of austenitic stainless steel weldments. Feed forward back propagation artificial neural network (ANN) models have been developed for predicting signal to noise ratio (SNR) of transversal and longitudinal wave probes. Input variables that affect SNR output in these models are welding angle, probe angle, probe frequency and sound path. Of the experimental data, 80% is used for a training dataset and 20% is used for a testing dataset with 10 neurons in hidden layers in developed ANN models. Mean absolute error (MAE) and mean absolute percentage error (MAPE) types are calculated as 0.0656 and 16.28%, respectively, to predict performance of ANN models in a transversal wave probe. In addition, MAE and MAPE are calculated as 0.0478 and 18.01%, respectively, for performance in a longitudinal wave probe.

An investigation into the values of the Energy Release Rate (ERR) at the band crack’s front in the rectangular plate made of multilayered composite material is carried out for the opening mode. The corresponding boundary-value problem is modelled by using threedimensional linear theory and solved numerically by using 3D FEM (Three Dimensional Finite Element Method). The main purpose of the current investigation is to study the influence of mechanical and geometrical parameters on the Energy Release Rate (ERR) at this crack front. The numerical results related to the ERR, and the effect of the mechanical and other problem parameters on the ERR are presented and discussed.

Biodiesel has poor cold flow properties due to their high saturated fatty acid content. Ethyl levulinate is used as bio-based cold flow improver additive in biodiesel. In this work, both ethyl levulinate and biodiesel were synthesized in the laboratory. Ethyl levulinate was added to the biodiesel at different rates, i.e, 5, 10, 15, 20 (vol %). The effect of ethyl levulinate addition on density, kinematic viscosity, acid value, cloud point and pour point was determined and compared to the EN 14214 and ASTM D6751 specification. Consequently, ethyl levulinate appears acceptable as a cold flow improver for biodiesel fuel.

The effects of micro and nano sized reinforcement particles on microstructure and mechanical properties of aluminium alloy-based metal matrix composites were investigated in this study. AlSi 9 Cu 3 alloy was reinforced with micro and nano sized ceramic reinforcement particles at different weight fractions by using a stir casting method. The mechanical tests (hardness, three point bending) were performed to determine the mechanical properties of AlSi 9 Cu 3 alloy-based microcomposites (AMMCs) and nanocomposites (AMMNCs). The experimental results have shown that the size and weight fraction of reinforcement particles have a strong influence on the microstructure and the mechanical properties of AlSi 9 Cu 3 alloy-based microcomposites and nanocomposites. The relative densities of all AMMC and AMMNC samples are lower than unreinforced AlSi 9 Cu 3 alloy due to porosity formation with the increase of weight fraction of reinforcement particles. As weight fraction increases, hardness values of AMMCs and AMMNCs increase. Maximum flexural strength can be obtained at 3.5wt.% for the AMMC sample with microsized Al 2 O 3 particles and at 2wt.% for the AMMNC sample with nano-sized Al 2 O 3 particles. After the weight fractions exceed these values, flexural strengths of both AMMCs and AMMNCs decrease due to clustering of Al 2 O 3 particles.

In this study, undoped and 1, 2,3, 4, and 5 wt % Ag-doped TiO 2 nanofibers have been fabricated by the electrospinning method applying 20 kV voltages at 8 cm height with a flow rate 0.1 mL/h. The antibacterial properties of undoped and doped Ag/TiO 2 nanofibers were tested on Staphylococcus aureus bacteria. The antibacterial effect of these fabricated nanofibers has been determined by disc diffusion and Baird parker methods. The results have shown that Ag/TiO 2 nanofibers have an excellent antibacterial effect on this bacterium compared to pure TiO 2 nanofibers. As a result, developed nanofibers can easily be applied in various fields such as biomedical sector and tissue engineering. In addition, the chemical components, morphology, and crystal structure of the nanofibers have been performed by scanning electron microscopy energy dispersive analysis (SEM-EDX), differential thermal analysis/thermal gravimetric analysis (DTA/TG), and X-ray diffraction (XRD) methods.

Tea, from the old ages to the day, is widely consumed both for enjoyment and health care due to its positive effects. The consumption of these products is increasing day by day as a result of the clear presentation of the fact that tea contains high amount of antioxidant substances (such as phenolic compounds), which is important in prevention and treatment of diseases. Tea beverage is a very important source of polyphenols. In this study, phenolic content and antioxidant capacity of different tea species were calculated by modeling with experimental design method. In the experimental part, polyphenol content was determined using the Folin-Ciocalteu method. The total amount of phenolic substance content was examined by Box-Behnken design and response surface method on black tea, green tea and white tea on different extraction temperature, extraction time and solid / liquid ratio. Solid / liquid ratio was found to be the most important parameter in terms of polyphenol content extraction from different tea samples. The highest polyphenol amount (411.762 mg gallic acid / mL) was found in green tea. To the best of our knowledge, this is the first data presenting comparatively study the effect of extraction condition on amounts of phenolic compounds from different tea samples.

Undoped and nickel doped indium sulfide (In 2 S 3 :Ni) thin films have been deposited on indium tin oxide (ITO) coated glass substrates by successive ionic layer adsorption and reaction (SILAR) method. The doping concentration of Ni has been adjusted as 4%, 5% and 6% (in molar ratio of nickel ions to indium ions). The effects of Ni doping on the structural, morphological, compositional and optical properties of the In 2 S 3 thin films are investigated. The x-ray diffraction patterns show that deposited film has cubic structure with amorphous nature of In 2 S 3 and its crystallinity deteriorates with increasing doping concentration. The SEM measurements show that the surface morphology of the films is affected from the Ni incorporation. The direct band gap of the films decreases from 2.33 eV to 1.61 eV with increasing Ni dopant. Energy dispersive x-ray spectroscopy (EDS) has been used to evaluate the chemical composition and shown that S/(Ni+In) ratio in films decreases from 1.18 to 0.40 with Ni content. Optical properties of the films have been performed by a UV-Vis spectrophotometer. The direct band gap of the films decreases from 2.33 eV to 1.61 eV with increasing Ni dopant. Moreover, optical parameters of the films such as refractive index ( 𝑛 ), extinction coefficient ( k ), real ( ε 1 ) and imaginary ( ε 2 ) parts of dielectric constant have been determined by using absorbance and transmittance spectra. The investigations showed that the Ni doping has a significant effect on the physical properties of SILAR produced In 2 S 3 thin films.

Epidemiological and experimental studies have shown that natural products are beneficial for the protection against cancer. Maple syrup is a natural sweetener often consumed throughout the world. Maple syrup contains various phenolic compounds such as lignans, coumarin and Ginnalin A (GA). The aim of this study was to investigate the effects of GA shown to have cytotoxic and apoptotic effects in several human carcinoma cell lines. The effect of GA on cell viability was determined by a XTT (2,3-bis-(2-methoxy-4-nitro-5-sulfophenyl)-2H-tetrazolium-5-carboxanilide) assay as described in the manufacturer’s instruction. Total RNA was isolated from cancer cells using TRIzol Reagent and reverse transcription was performed using Script™ cDNA Synthesis Kit (Bio-Rad) according to the manufacturer’s instructions. Expressions of important genes in apoptosis including MMP - 2 , MMP - 9 , TIMP - 1 , TIMP - 2 , CDH1 and CDH2 , were investigated in dose and control groups by qPCR (quantitative real time- polymerase chain reaction). When compared with the control group, qPCR results illustrated that a significant increase in gene expression was observed in the expressions of CDH1 , TIMP - 1 and TIMP - 2 by 3.52, 5.13 and 2.67 times respectively. Research has shown that Ginnalin A can demonstrate an anti-metastatic effect by regulating the expression of important genes in metastasis on cancer cell lines. Furthermore, in this study the activation of caspase-8 in apoptotic signaling pathways and the pro-apoptotic caspases required for extrinsic apoptotic signal transduction was defined.

The main purpose of this study is the investigation of a cross section of proton induced nuclear reactions. The excitation functions of the reactions: 56 Fe(p,2n) 55 Co 58 Fe(p,2n) 57 Co, 111 Cd(p,2n) 110 In, 112 Cd(p,2n) 111 In, 125 Te(p,2n) 124 I, 126 Te(p,2n) 125 I, 68 Zn(p,2n) 67 Gawere investigated. These reactions were studied as the resulting radioisotopes are used in medical applications. Theoretical excitation functions have been calculated with TALYS 1.6 nuclear reaction simulation code. The calculated excitation functions are compared with the experimental data.

The compositions Ce 0.80 Sm 0.2-x Pr x O 2-δ (x=0-0.12) were prepared through the citrate-nitrate method. The synthesized Pr 3+ and Sm 3+ co-doped ceria powders with different compositions were calcined at 600°C for 3 h. Phase structure of the calcined powders was characterized by X-Ray diffraction (XRD) analysis.All the calcined samples were found to be ceria based solid solutions of fluorite type structures. The morphology examinations were carried out by scanning electron microscopy (SEM) analysis. Relative density of more than 91% of the theoretical can be achieved by sintering the Ce 0.80 Sm 0.2-x Pr x O 2-δ pellets at 1400°C for 6 h. The two-probe a.c. impedance spectroscopy was used to study the ionic conductivity of the doped ceria samples. The Ce 0.80 Sm 0.80 Pr 0.12 O 1.90 composition showed the highest total ionic conductivity value which is 2.39 × 10 −2 S/cm at 600°C.

Intermetallics are known as a group of materials that draws attention with their features such as ordered structure, high temperature resistance, high hardness and low density. In this paper, it is aimed to obtain intermetallic matrix composites and also to maintain some ductile Nb and Ti metallic phase by using 99.5% purity, 35-44 μm particle size titanium, niobium and aluminium powders in one step via recently developed powder metallurgy processing technique - Electric current activated/assisted sintering system (ECAS). In this way, metallic reinforced intermetallic matrix composites were produced. Dominant phases of TiAl 3 and NbAl 3 which were the first compounds formed between peritectic reaction of solid titanium, niobium and molten aluminum in Ti-Al-Nb system during 10, 30 and 90 s for 2000 A current and 1.5-2.0 voltage were detected by XRD and SEM-EDS analysis. Hardness values of the test samples were measured by Vickers indentation technique and it was detected that the hardnesses of intermetallic phases as 411 HVN whereas ductile metallic phase as 120 HVN.

Nichrome (NiCr) coatings are widely used to provide resistance against oxidation and corrosion in many machine components. TBCs must include bond coatings that are resistant to oxidation resulting fromhigh-temperature operating conditions. In the present study, NiCr powders were sprayed on nickel-based superalloy Inconel 718 substrates using atmospheric plasma spray (APS) technique. Bond-coated substrates were coated with yittria stabilized zirconia (YSZ). As such, the TBC samples were kept at 1000°C for 8 h, 24 h and 50 h in high temperature furnace and their isothermal oxidation behavior was investigated. Microstructure and phase change properties of TBCs before and after isothermal oxidation were then studied and analyzed.

Concrete is the most commonly used structural material, which is composed of individual base materials. The compressive strength of concrete is important to understand for activities like construction arrangement, prestressing operations, proportioning new mixtures and quality assurance. Concrete has a problem known as Clustering, which is the unsupervised classification of patterns into clusters. The clustering problem has been addressed by several researchers in many contexts and various disciplines; this shows that clustering uses many areas and is an important step in data analysis. In this study, concrete samples with different aggregate types and normal strength were produced. Clustering analysis was performed on the effect of aggregate species for its mechanical strength. According to the result of clustering analysis, it was found that there were three different groups, the study predicts that clustering is not related to the origins of the rocks but is clustered between the strength of the rocks and the mechanical strengths of the concretes produced within these rocks. The common feature of L, RL and SG aggregates in the first cluster is that it is a sedimentary rock. The aggregate of the concrete in the second cluster is that it is a volcanic superficial rock. The common feature of DO and TB rocks in the third cluster is that it has high density. As a result, it was determined that the clay made in normal class concrete is related to the mechanical strength of rocks.

In our approach for magnetic iron oxide nanoparticles surface modification, the fabrication of an inorganic shell, consisting of silica by the deposition of preformed colloids onto the nanoparticle surface and functionalization of these particles, was realized. The magnetic nanoparticles, non-coated and coated with silica layer by Stöber method, are functionalized with chlorosulfonic acid. The magnetic nanoparticles (MNPs), in size of 10-13 nm, could be used as acid catalyst in biodiesel production and show superparamagnetic character. The prepared nanoparticles were characterized by different methods including XRD, EDX, FT-IR and VSM. The catalytic activity of the coated and non-coated solid acids was examined in palmitic acid-methanol esterification as an industrial reaction for biodiesel synthesis. Although thin silica layer results in only a minor obstacle with respect to magnetism, it can accelerate the mass transportation due to its relatively porous structure and magnetic core may be more stable in the acidic reaction medium by means of covering process. Accordingly, coating strategy can be efficient way for allowing applications of MNPs in acid catalyzed esterification.

In this study, in vitro biological activities of both methanol and ethanol extracts of Arabis alpina subsp. brevifolia were investigated. Also, the phenolic components of this plant was examined in this study. The extracts were tested against the eight strains of food pathogens for their antimicrobial activities by utilizing minimum inhibitory concentration (MIC) and disc diffusion assay. The non-enzymatic antioxidant activities were determined according to scavenging of the free radical 2,2-diphenyl-1-picrylhydrazyl (DPPH). The phenolic compounds were analyzed by high performance liquid chromatography (HPLC). The main component was ellagic acid for the methanol extract of stem-leaf, rutin for the ethanol extract of stem-leaf, and 2,5-dihydroxybenzoic acid for the methanol and ethanol extracts of fruit-flower. The ethanolic extracts of leaves revealed antibacterial activities against Salmonella Typhimurium (7 mm) while the ethanolic extracts of flowers demonstrated no activity against the test pathogens. The methanolic extracts of leaf-flower showed antibacterial activities against S. Typhimurium (7 mm). No activity was observed against C. albicans . The MIC value for four test bacteria was 13000 μg/mL. The ethanol extracts of A. alpina subsp. brevifolia exhibited the highest DPPH inhibition (76%). This study showed that A. alpina subsp. brevifolia possesses antioxidant and antimicrobial activities.

The synthesized Schiff base polymers were investigated for humidity and chloroform response characteristics. The crystal structure of polymers were analyzed using X-ray diffraction (X-RD) method. We used the QCM (quartz crystal microbalance) method for the analyses of the water steam adsorption and desorption ratio of polymers. The experimental results showed that Schiff base polymers were very sensitive to humidity and chloroform at room temperature and it was possible to use it as a sensing element in moisture sensor applications.

In recent years, studies on the development of new and advanced composite materials have been increasing. Among these new technological products, Fiber Metal Laminates (FML), and hybrid structures made of aluminium, carbon, glass or aramid fiber, are preferred especially in the aircraft industry due to their high performance. Therefore, free vibration analysis is necessary for the design process of such structures. In this study, the vibration characteristics of FML for clamped-free boundary conditions were investigated experimentally and numerically. Firstly, numerical results were obtained using Finite Element Method (FEM) and then these results were compared with the experimental results. It was seen that the numerical results were in good agreement with the experimental results. As the theoretical model was justified, the effects of various parameters such as number of layers, fiber orientations, and aluminium layer thickness on the in-plane vibration characteristics of the FML straight beam were analysed using FEM. Thus, most important parameters affecting the vibration characteristics of the hybrid structures were determined.

Medicago sp. are often consumed as vegetable, salad and herbal tea as a form of fresh leaves and herbs. It is also very important in animal feeding, because it contains high percentage of protein and some important phytochemicals. In addition, traditionally, the leaves or other parts of the plant were used for treatment and preventing of kidney disorders, osteoporosis, anemia, diabetes, ulcer, coronary diseases, some cancers, and menopausal symptoms. In previous reports, it has been demonstrated that this plant has scavenging activity of the free radicals, which are involve in the development of the hypertension, Ischemia, neurodegenerative and rheumatoid diseases. In this study, the antioxidant, enzyme inhibitory activities of M. sativa L. collected in two growing period and phenolic substances that may be responsible for these activities were investigated. In this way, the beneficial effects of the plant will be revealed and a scientific work will be provided for the evaluation of the pharmaceutical and food industry.

Thermal Barrier Coatings (TBCs) provide thermal insulation for gas turbine components operating at high temperatures. Generally, TBCs were produced on a MCrAlY bond coat with 7-8% Yttria Stabilized Zirconia (YSZ) using Atmospheric Plasma Spray (APS) technique. In this study, Inconel 718 substrate material was coated with CoNiCrAlY bond coat using high velocity oxygen fuel (HVOF) technique. Afterward, Gd 2 Zr 2 O 7 was deposited on samples using Electron Beam Physical Vapor Deposition (EB-PVD) technique. Produced TBCs were exposed to isothermal oxidation tests at 1000°C for 8 h, 24 h, 50 h and 100 h in muffle furnace. Scanning electron microscopy-energy distribution X-ray (SEM-EDX) spectroscopy was used to investigate thermally grown oxide (TGO) layer and TGO growth behavior of TBCs. In addition, X-ray Diffractometer (XRD) analysis was performed to TBCs to understand whether phase transformation occurs or not before and after oxidation.

Removal of heavy metals from wastewater is a significant issue because it prevents environmental-based concerns and impacts a large number of diseases and disorders. Many low-cost natural materials have been offered recently as possible precursors to commercial synthetic adsorbents. Ultra-fine calcite, one of these natural materials, has been investigated as a potential commercial adsorbent. Response surface designs are effective experimental techniques to investigate the heavy metal adsorption capacity of ultra-fine calcite. In the present study, one such response surface design, Box-Behnken, is used in order to optimize adsorption factors, such as pH level, initial metal concentration, stirring rate and adsorption time, and to determine the heavy metal capacity of this adsorbent. Our results show that the proposed methodology is an effective approach to optimizing the adsorption process and to maximize the heavy metal capacity.

Thermal barrier coatings (TBCs) are widely used in aerospace and aviation industries for materials required to withstand severe environments such as oxidation, hot-corrosion failure and CMAS (calcia–magnesia–alumina–silica) attack or vermiculite corrosion. This is particularly apparent in vermiculite, which can penetrate sand, volcanic ash and is the most destructive damage mechanism in the TBC system. Impurities from the desert environment such as calcia–magnesia–alumina–silica (CMAS) cause degradation of TBCs. In this research, CoNiCrAlY metallic bond coatings were deposited on Inconel 718 nickel based superalloy substrates with a thickness of around 100 μm using a Cold Gas Dynamic Spray (CGDS) technique. Production of TBCs were carried out with deposition of YSZ ceramic top coating material using Electron Beam Physical Vapor Deposition (EB-PVD), with a thickness of around 200 μm. The effect of CMAS with spreading naturally-occurring mineral (vermiculite) on TBC samples were investigated using scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS) analysis and X-ray diffraction (XRD). The microstructure evolution of YSZ and failure mechanism of TBC were evaluated.

Taguchi experiment design in quality development studies, is an approach to engineering that supports research and development, product design and product development activities by enabling fewer trials of experiments to determine the best combinations of inputs that affect the outcome. In this study, the factors affecting the porosity were studied in a firm that produces ceramic tile. There were 6 factors considered to be important in total and 2 levels in each factor. L8 orthogonal array were used during the experiment design, which proposes 8 experiment types with different factor levels. The results of the experiments were analyzed so that important factors were determined. Significance of factors were tested by ANOVA and 4 of them were found to be significant. These factors were fuzzified by assessing the factors using linguistic expressions and then triangular fuzzy numbers. A model with 4 inputs and 1 output was built and 34 rules were generated for this model. The developed model was shown to be a useful approach in modeling the porosity permeability of ceramic tiles.

A novel Schiff base was synthesized and characterized by spectroscopic and theoretical methods. A potentially active agent 4-(2-hydroxy-5-methylphenylimino)naphthalen-1(4 H )-one (PINQ) was designed and synthesized. The synthesis was carried out by a condensation reaction of 1-4-naphthoquinone and 2-amino-4-methyl phenol. The spectral and structural properties of the PINQ molecule were investigated by elemental analysis, 1 H- and 13 C-NMR, FT-IR and Uv-vis spectroscopies. The energetic, atomic, electronic, molecular, vibrational and magnetic data were theoretically obtained using density functional theory (DFT) at B3LYP level with 6-311++G(d,p) basis set. Chemical shifts were calculated using gauge-invariant atomic orbital (GIAO) method. UV-vis spectrum for the title compound was also obtained by time-dependent density functional theory (TD-DFT). The theoretical and experimental results were compared and interpreted. The theoretical data obtained from 1 H- and 13 C-NMR, FT-IR and Uv-vis spectroscopies were quite compatible with experimental ones.

Traditional building stones may be defined as the rocks continuously and commonly used throughout the history of a given town or region. Sille stone bears volcanic and andesitic features, which are unique to the Sille region (Konya) and its surroundings. Sille was a historical and cultural settlement in the Neolithic Age. The high silica content of Sille stone is an important building material due to its easy workability and durability properties. The Sille stone, which is generally used as a floor and wall covering, has many artifacts ranging from the Ottoman and Seljuk periods to the present day. This work is aimed to determine the structural characteristics of Sille Stone, which still preserves its architectural value, and to reveal its potential of being used as an alternative material in the ceramic industry. For this purpose, chemical, physical and thermal properties of Sille Stone were determined in this investigation. The results indicate that the physical properties of Sille Stone are similar to industrial ceramic tiles, and it can be used as a ceramic material after a heat treatment or a surface coating application as this will prevent soluble salts from escaping that are contained in the porous structure and which can have harmful effects.

Dune sand, from Biskra, Algeria which is in the Great Algerian huge desert attracts tourists from all over the world. Dune sand composes around 80% of the total area of the desert. To date only a few studies have been conducted on this sand. The purpose of the present study is to shed light on the textural and physico-chemical characteristics of this sand using several characterization methods, and to understand the potential for using for photovoltaic applications. The chemical composition of Biskra sand indicated a high purity quartz with 97.6% silica, and a presence of others oxides. Granular analysis enabled the determination of the size of the sand grains which was found to be fine to medium. On the other hand, a Scanning Electron Microscopy and optical observations were carried out, the micrographs observations indicated the presence of different shapes of sand grain, some rounded whereas others are angular edged or elongated. X-ray diffraction indicates the highly crystalline nature of the Biskra sand.

We report the preparation of pore expanded and sulfonic acid functionalized mesoporous silica catalysts by using different kinds of swelling agents such as 1,3,5-trimethyl benzene (TMB), n-decane (D), n-tridecane (TD), and n-hexadecane (HD) at two different ratios of swelling agent/surfactant. Non-swelled mesoporous silica catalyst, SBA-15-SO 3 H, was also prepared for comparison. The performance of the sulfonic acid functionalized solid acid catalysts by using one-pot synthesis procedure was evaluated in terms of their catalytic activity in the esterification of propionic acid with methanol. The catalysts have been characterized by X-ray diffraction to investigate the phase transition between the hexagonally packed arrangement of cylindrical pores and mesocellular silica foams (MCF), and N 2 adsorption/desorption technique in terms of pore size and distributions. It was concluded from the XRD and N 2 adsorption/desorption analyses that hexagonally packed and cylindrical pore structure is maintained only for low ratio of swelling agent/surfactant and the increase of the dimension of a template micelle is accompanied by an increase in structural disruption, which was attributed to the phase transition from highly ordered hexagonal arrangement to mesocellular foam (MCF) phase with large nodded pore structures rather than cylindrical pores. Among the different swelling agents, TMB and D were found to be effective for the increase in pore diameter (up to 8 and 7.8 nm), whereas, TD and HD (6.6 nm) are effective to maintain the ordered X-ray diffraction patterns resulting mesoporous materials without giving enlargement of pore diameter in comparison with TMB and D. Pore expanded catalysts, SBA-15-SO 3 H-TMB-0.1 and SBA-15-SO 3 H-D-0.1, exhibit 68 and 43% enhancement in turnover frequency toward propionic acid methanol esterification, respectively, over non-swelled SBA-15-SO 3 H, despite possessing similar acid strengths. The increased activity especially for SBA-15-SO 3 H-TMB-0.1 and SBA-15-SO 3 H-D-0.1 likely reflects the accessibility to the active sulfonic acid sites as well as acidity.

The dispersion-free dipole polarizability (α) computations for chlorophyll a ( 1 ) and crocin ( 2 ) have been achieved by density functional theory (DFT) at B3LYP/ 6-31G( d ) level. The measured one-photon absorption (OPA) wavelengths are quite consistence with the theoretically obtained values. Ab-initio quantum chemical calculations (time-dependent Hartree-Fock (TDHF)) have been implemented to reveal the static second hyperpolarizabilities (γ) and dynamic dipole polarizabilities of the title molecules. The examined compounds display γ with non-zero values, introducing their third-order nonlinear optical (NLO) phenomena. The first and second frontier molecular orbitals of the investigated molecules have been also derived from DFT. Graphical Abstract

Titanium dioxide(TiO 2 ) is a well-known material which is non-toxic with efficient photoactivity, high stability, low-cost and corrosion-resistant. Up to today’s technology, TiO 2 films are coated for various applications in the scientific area. In this study, bilayer TiO 2 films were coated on indium tin oxide(ITO) layers that have different characteristic properties. The devices designed as homemade of Direct Current Magnetron Sputtering (DCMS) and Spray Pyrolysis Deposition (SPD) coating methods were used to coat the first and second layers of bilayer TiO 2 films, respectively. The optical and crystalline characterizations of bilayer TiO 2 films were analyzed by UV-VIS spectroscopy and XRD techniques. The XPS spectrum showed that O 2 molecules simply oxidize from Ti 3+ to Ti 4+ after SPD coating method. The characterization results of TiO 2 films showed change in optical band gap value and crystalline structure of TiO 2 bilayer.

A new selective cobalt acetate tetrahydrate or cerium nitrate hexahydrate mediated cleavage of the C–N bond of a benzoyl isothiocyanate derivative to give (carbamoylamino)methanethioamide is presented. The cleavage of the C–N could not be achieved in the absence of thione. The novel silver-mediated conversion of a thione to the carbonyl was achieved on 1-((benzamido)formyl)urea and replicated on (carbamoylamino)methanethioamide to give the deaminolyzed bisurea (dicarbamolyamine). The compounds were characterized by IR, NMR, microanalysis and GC–MS. The single crystal X–ray diffraction studies of the crystal structures of compounds I , II , III and V is discussed. Graphical Abstract

The molecular and crystal structure of commercially-available ortho -(trifluoromethyl)phenol were determined by means of single-crystal X-ray diffractometry (XRD) and represent the first structural characterization of an ortho -substituted (trihalomethyl) phenol. The unexpected presence of a defined hydrate in the solid state was observed.Intermolecular contacts and hydrogen bonding were analyzed. The compound was further characterized by means of multi-nuclear nuclear magnetic resonance (NMR) spectroscopy ( 1 H, 13 C{ 1 H}, 19 F) and Fourier-Transform infrared (FT-IR) vibrational spectroscopy. To assess the bonding situation as well as potential reaction sites for reactions with nucleophiles and electrophiles in the compound by means of natural bonding orbital (NBO) analyses, and density functional theory (DFT) calculations were performed for the title compound as well as its homologous chlorine, bromine and iodine compounds. As far as possible, experimental data were correlated to DFT data. Graphical Abstract

Encapsulated metalloporphyrins have been widely studied for their use as efficient heterogeneous catalysts, inspired by the known catalytic activity of porphyrins in haemoproteins. The oxidation of organic substrates by haemoproteins is one of the well-known roles of these proteins, in which the haem (ferriprotoporphyrin IX = FePPIX) cofactor is the centre of reactivity. While these porphyrins are highly efficient catalysts in the protein environment, once removed, they quickly lose their reactivity. It is for this reason that they have garnered much interest in the field of heterogeneous catalysis of oxidation reactions. This review details current research in the field, focusing on the application of encapsulated haem, and other synthetic metalloporphyrins, applied to oxidation reactions.

During the last ten years, base metals have become very attractive to the organometallic and catalytic community on activation of C-H bonds for their catalytic functionalization. In contrast to the statement that base metals differ on their mode of action most of the manuscripts mistakenly rely on well-studied mechanisms for precious metals while proposing plausible mechanisms. Consequently, few literature examples are found where a thorough mechanistic investigation have been conducted with strong support either by theoretical calculations or experimentation. Therefore, we consider of highly scientific interest reviewing the last advances on mechanistic studies on Fe, Co and Mn on C-H functionalization in order to get a deep insight on how these systems could be handle to either enhance their catalytic activity or to study their own systems in a similar systematic fashion. Thus, in this review we try to cover the most insightful articles for mechanistic studies on C-H activation catalyzed by Fe, Co and Mn based on kinetic and competition experiments, stoichiometric reactions, isolation of intermediates and theoretical calculations.

Reactions of the organoplatinum complex [Pt(cod)(neoSi)Cl] (neoSi = (trimethylsilylmethyl) with the Ag(I) salts of oxo or fluoride containing anions A – = NO 3 – , ClO 4 – , OTf – (trifluoromethanesulfonate) and SbF 6 – lead to the desired abstraction of the chlorido ligand and precipitation of AgCl. However, further reaction of the resulting Pt complexes [Pt(cod)(neoSi) (solvent)] + with diverse N-heterocyclic ligands L such as pyridines, caffeine, and guanine did not yield the targeted complexes [Pt(cod)(neoSi)(L)](A) in most of the cases, but to extensive decomposition yielding [Pt(cod)(Me) (solvent)] + , thus transforming the neoSi into a methyl ligand. A detailed study on the reaction with SbF 6 – combining DFT calculations with NMR and MS revealed that Pt catalysed decomposition of SbF 6 ‒ and fluorination of the neoSi silicon atom leading to FSiMe 3 . When reacting the parent complex with Ag(BPh 4 ), the arylated derivative [Pt(cod)(neoSi)(Ph)] was obtained and characterised by multinuclear NMR, MS and single crystal XRD. Graphical Abstract