Biomolecular docking,antimicrobial and cytotoxic studies on new bidentate schiff base ligand derived metal (II) complexes

Three new metal complexes [Cu(L)₂] (1), [Co(L)₂] (2) and [Zn(L)₂] (3) have been prepared by the reaction of hydrated salts of metal (II) acetate with new Schiff base ligand HL, [2‐((4‐(dimethylamino)phenylimino)methyl)‐4,6‐di‐t‐butylphenol] and characterized by different physico‐chemical analyses such as elemental analysis, single XRD, ¹H NMR, FTIR and UV–Vis spectroscopic techniques. Their biomolecular docking, antimicrobial and cytotoxicity studies have also been demonstrated. The proposed structure of Schiff base ligand HL and complex 2 are confirmed by Single crystal X‐ray crystallography study. This analysis revealed that metal (II) complexes remain in distorted tetrahedral coordination environments. The electronic properties such as HOMO and LUMO energies are carried out by gaseous phase DFT/B3LYP calculations using Gaussian 09 program. Complex 1 showed a good binding propensity to the DNA and HSA, during the assessment of docking studies. Schiff base ligand HL and its metal (II) complexes, 1–3 screened for their in vitro antimicrobial activities using the disc diffusion method against selected microbes. Complex 1 shows higher antimicrobial activity than complexes 2, 3 and Schiff base ligand HL. According to the results obtained from the cytotoxic studies, Schiff base ligand HL and its metal (II) complexes 1–3 have better cytotoxicity against MCF‐7 cell lines with potency higher than the currently used chemotherapeutic agent cyclophosphamide.     

Distribution of trace elements in flowing surface waters: Effect of seasons and anthropogenic practices in India

This study reports the distribution of Cr, Ni, Cu and Pb in waters, sediments, macrophytes and fish of the Yamuna River’s patch in Delhi (India). This is one of the most polluted stretches of rivers in the world. Water from this river is used fosr irrigation, industrial and domestic purposes, including drinking water. The effects of season and anthropogenic practices were identified. Almost zero dissolved oxygen and high levels of lead and phosphate indicate the polluted state of the aquatic system. The enrichment factors in sediments (with respect to reference site) vary in the range of 0.60–82.9% (Cr), 1.40–90.5% (Ni), 1.00–85.3% (Cu) and 3.80–86.6% (Pb). The toxic effects due to Ni and Pb could frequently be visible in aquatic life as their values fall above the probable effect level (36 mg Kg^?1 for Ni and 91.3 mg Kg^?1 for Pb). The metal contents in the macrophyte (Eichhornia crassipes) and the fish (Oreochromis niloticus) generally increase in the summer season. Cu and Pb accumulate preferentially in E. crassipes. The fish from these waters is unsuitable for human consumption as the levels of Cr, Cu and Pb are above the recommended limits. Significant spatial variations in parameters of water and sediments were confirmed via one-way analysis of variance. The Pearson’s correlation analysis suggests a common source of some of the metals. Principal component analysis highlighted domestic, and industrial waste and coal-fired thermal power plants as the metal sources. This study might act as a benchmark for other investigations focused on similarly affected surface aquatic systems due to agricultural and industrial activities.     

Green Enzymatic Synthesis of L-Ascorbyl Fatty Acid Ester: An Antioxidant

In green chemistry, biocatalysis using microwaves is a very attractive tool for various regioselective syntheses. L-Ascorbyl fatty acid esters were synthesized by an immobilized lipase from Bulkholderia multivorans using microwaves, with a dynamically enhanced rate of reaction and appreciable yield of around 80%. Microwave radiation had no effect on enzymic inactivation, however, synergism between microwaves and biocatalyst was observed.     

Facile ion-exchange synthesis of Gd-doped K2Ta2O6 photocatalysts with enhanced visible light activity

One of the well-known ways of increasing the visible light absorption capability of semiconducting materials is cation doping. This study aims to use Gd doping to tailor the bandgap energy of K₂Ta₂O₆ (KTO) for photocatalytic degradation of organic pollutants under visible light irradiation. Accordingly, the parent KTO and Gd-doped KTO with different Gd concentrations (K_2-3xGd_xTa₂O₆; x = 0.025, 0.05, 0.075 and 0.1 mol%) were synthesized by hydrothermal and facile ion-exchange methods, respectively. The powder XRD, FT-IR, SEM-EDS, TEM-SAED, N₂ adsorption-desorption, XPS, UV–Vis DRS, PL and ESR techniques were used to investigate the effect of Gd dopant concentration on the structural and photocatalytic properties of KTO. The photocatalytic activity of these samples was investigated for the photocatalytic degradation of methylene blue (MB) dye in an aqueous solution at room temperature under visible light irradiation. The experimental results show that all Gd-doped KTO samples exhibit enhanced photocatalytic activity compared with parent KTO toward MB degradation. In particular, Gd-KTO obtained by doping of 0.075 mol% shows the highest photocatalytic activity among the Gd-doped samples and the degradation efficiency of MB was 79% after 180 min of visible light irradiation, which is approximately 1.5 times as high as that by parent KTO (53%). In addition, trapping experiments and electron spin resonance (ESR) analysis demonstrated that the hydroxyl radicals (^?OH) have played a crucial role in the photocatalytic degradation of MB. The reusability and stability of Gd doped-KTO with a Gd content of 0.075 mol% against MB degradation were examined for five cycles. Based on the present study results, a visible light induced photocatalytic mechanism has been proposed for Gd0075-KTO sample.     

Plasmonic photoelectrochemical reactions on noble metal electrodes of nanostructures

Plasmonic noble metal nanostructures have been targeted due to their strong surface plasmon resonance at photoelectrochemical interfaces. Recently, it has been concluded that, the plasmonic noble metal nanostructures on photoexcitation permit the transfer of effective hot carriers (hot electron/hole pair) to nearby adsorbed molecules where, the transformed hot carriers can efficiently decrease the activation barrier of a reaction. In this review, our recent achievements in the plasmon-mediated chemical reactions of organic molecules such as para-aminothiophenol, substituted para-aminothiophenol and para-nitrothiophenol at nanostructures modified noble metal electrodes using surface enhanced Raman spectroscopy, electrochemical methods, and theoretical calculations will be discussed.     

BMIM[BF4]: An Efficient Ionic Liquid Medium for the Synthesis of Chromeno[b]pyridines as Potential Anticancer Agents

Russian Journal of Organic Chemistry - A series of 2-amino-4-aryl-5-oxochromeno[4,3-b]pyridine-3-carbonitriles have been synthesized with good yields (85–90%) by reacting...     

Role of graphene in structural transformation of zirconium oxide

Fine powders of zirconium oxide (ZrO₂) were prepared using zirconium oxychloride by combustion method. The crystalline size of pure ZrO₂ was in range of 14–45 nm. Graphene was incorporated in ZrO₂ using graphene oxide as precursor and reducing it with hydrazine hydrate. X-Ray diffraction, Fourier transform infra-red spectroscopy, thermogravimetric analysis and Raman spectroscopy methods were used to characterize the samples. The role of graphene in structural transformation of ZrO₂ to monoclinic phase was clearly observed.     

Trace determination of parabens in cosmetics and personal care products using fabric‐phase sorptive extraction and high‐performance liquid chromatography with UV detection

A simple, fast, and sensitive analytical protocol using fabric‐phase sorptive extraction followed by high performance liquid chromatography with ultraviolet detection has been developed and validated for the extraction of five parabens including methylparaben, ethylparaben, propylparaben, butylparaben, and benzylparaben. In the present work, sol‐gel polyethylene glycol coated fabric‐phase sorptive extraction membrane is used for the preconcentration of parabens (polar) from complex matrices. The use of fabric‐phase sorptive extraction membrane provides a high surface area which offers high sorbent loading, shortened equilibrium time, and overall decrease in the sample preparation time. Various factors affecting the performance of fabric‐phase sorptive extraction, including extraction time, eluting solvent, elution time, and pH of the sample matrix, were optimized. Separation was performed using a mobile phase consisting of water:acetonitrile (63:37; v/v) at an isocratic elution mode at a flow rate of 0.9 mL/min with wavelength at 254 nm. The calibration curves of the target analytes were prepared with good correlation coefficient values (r² > 0.9955). The limit of detection values range from 0.252 to 0.580 ng/mL. Finally, the method was successfully applied to various cosmetics and personal care product samples such as rose water, deodorant, hair serum, and cream with extraction recoveries ranged between 88 and 122% with relative standard deviation <5%.     

Electrical Conductivity and Thermoelectric Power of Silver Iododichromate Fast Ion Conducting Electrolytes

Fast ion conducting solid electrolytes are becoming increasingly important owing to their application in solid state ionic devices. The present work deals with the silver ion conducting x AgI – (1–x)Ag₂Cr₂O₇ electrolyte system. These electrolytes have been characterised by X-ray diffraction, electrical conductivity, electronic conductivity and thermoelectric power techniques. A high ionic conductivity of the order of 10⁻³ S/cm has been observed for the composition mol% 80 AgI–20 Ag₂Cr₂O₇, at room temperature. The electronic conductivity of this electrolyte is three orders of magnitude lower than the ionic conductivity.