A bidentate and a quadridentate Schiff base having NS and NNSS donor sequences were prepared by condensing S-benzyldithiocarbazate (NH2NHCSSCH2Ph) with 2,3-butanedione (1:1 and 1:2 mole ratio). NiII and CuII complexes of these ligands were studied and characterised by elemental analyses and various physico-chemical techniques. The nickel complexes, [Ni(NS)2] and [Ni(SNNS)], were diamagnetic with square-planar and five-coordinate structures, respectively. The copper complex was, however, pentacoordinated. The ligands and the complexes were screened for anticancer activity against T-lymphoblastic leukemic cells (CEM-SS) and colon cancer cells (HT-29). The NS Schiff base was strongly active against leukemic cells with a CD50 value of 2.05 g cm–3. The nickel and copper complexes were found to be stronger antioxidants than Vitamin E. 相似文献
TiO2 nanorods (NRs) have been successfully synthesized via simple hydrothermal technique utilizing TiCl4 as precursor at varied temperature of 160 °C, 200 °C and 250 °C, respectively. Further, thermal treatment was done in the close system at calcinations temperature thrice of the synthesis temperature. The prepared NRs were well characterized for the various physio-chemical natures of the materials. Crystallographic and morphological investigations showed that the samples exhibited high crystallinity with diameter ranges from 300 to 400 nm and length in several micrometers. XPS analysis proved the existence of oxygen defects that were created during the synthesis. The solar photocatalysis showed 81.27%, 92.20% and 58.79% removal of color by NR1, NR2 and NR3, respectively, within 300 min of direct sun irradiation time. The first-order kinetic model fits the better curve with the correlation coefficients of 0.97509, 0.97608 and 0.98417, respectively. Trapping experiments shows the dominant of holes and superoxide as the primary reactive oxygen species.
Self-assembled redox protein nanowires have been exploited as efficient electron shuttles for an oxygen-tolerant hydrogenase. An intra/inter-protein electron transfer chain has been achieved between the iron-sulfur centers of rubredoxin and the FeS cluster of [NiFe] hydrogenases. [NiFe] Hydrogenases entrapped in the intricated matrix of metalloprotein nanowires achieve a stable, mediated bioelectrocatalytic oxidation of H2 at low-overpotential. 相似文献
The structure and morphology of ZnS thin films were investigated. ZnS thin films have been grown on an indium tin oxide glass substrate by electrodeposition method using zinc chloride and sodium thiosulfate solutions at room temperature. The X-ray diffraction patterns confirm the presence of ZnS thin films. From the AFM images, grain size decreases as the cathodic potential becomes more negative (from ?1.1 to ?1.3 V) at various deposition periods. Comparison between all the samples reveals that the intensity of the peaks increased, indicating better crystalline phase for the films deposited at ?1.1 V. These films show homogeneous and uniform distribution according to AFM images. On the other hand, XRD analysis shows that the number of ZnS peaks increased as deposition time was increased from 15 to 30 min at ?1.1 V. The AFM images show thicker films to be formed at ?1.1 V indicating more favourable condition for the formation of ZnS thin films. 相似文献
The reaction of hydroxylamine hydrochloride with ethyl 3‐aroyl‐1‐cyano‐4‐hydroxy‐2,4,6‐triarylcyclohexanecarboxylate has led to the formation of ethyl 2‐[amino(hydroxyimino)methyl]‐3‐aryl‐5‐(hydroxyimino)‐5‐arylpentanoate via a tandem ring opening and oximation process. The structures of the products are confirmed by NMR and X‐ray techniques, and the conformational features of the product arrived at are compared with a molecular dynamics simulation study. 相似文献
On 3H-Methyl-1H-pyrazole-1-carboxamide (3MPC), Single crystal XRD, Fourier Transform Infrared Spectroscopy, Fourier Transform Raman Spectroscopy, Molecular Electrostatic Potential, Density function theoretical analysis and Molecular docking analysis are conducted. The target protein docking experiments revealed that the small molecule (MET) is a good molecule that docks well with several Nav channel 1 targets. Molecular Electrostatic Potential (MEP) aids in the optimization of protein-ligand electrostatic interactions. The molecular surface and hydrogen bonding interactions in the 3MPC crystal structure were located and analyzed using a fingerprint plot and Hirshfeld Surfaces. DFT–B3LYP calculations with the 6-31G (d,p) basis set are used to establish the optimised structure of the MET molecule, and the measured vibrational frequencies are compared to experimental values. The parameters of absorption, distribution, metabolism, excretion (ADME) and toxic (Tox) were assessed using the online server preADMET. 相似文献
Hydrostatic pressure-induced exciton binding energy in an InAs0.8P0.2/InP quantum well wire is investigated taking into account the geometrical confinement effect. Numerical calculations are carried out using variational approach within the single-band effective-mass approximation. The compressive strain contribution to the confinement potential is included throughout the calculations. The energy difference of the ground and the first excited state is found with the consideration of spatial confinement effect in the influence of pressure. The second-order susceptibility of harmonic generation is carried out using the compact density method. The optical gain as a function of incident photon energy is computed in the presence of the hydrostatic pressure. The result shows that the range of wavelength for the potential applications of telecommunications (1.3–1.55 μm) can be obtained by the application of the hydrostatic pressure. We believe that the obtained results can be applied for tuning the ranges of fibre optical wavelength in telecommunications. 相似文献