Oxidative Esterification of Benzaldehyde and Deactivated Aromatic Aldehydes with N-Bromosuccinimide-pyridine

Whereas the oxidative esterification of benzaldehyde to methyl benzoate with N-bromosuccinimide (NBS)-pyridine requires dark conditions and 5 equivalents each of NBS and K₂CO₃ and gave only moderate yield (52%) of the product (McDonald et al. J. Org. Chem. 1989, 54, 1213), simple change of base to pyridine gave the desired product in 83% gas chromatographic yield with only 1 equivalent each of NBS and pyridine. Moreover, the reaction could be conducted without exclusion of light. Aromatic aldehydes bearing electron-withdrawing substituents at meta/para position yielded the corresponding methyl esters in still better yields.

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Silica Gel Supported Chromium Trioxide: An Efficient Reagent for Oxidative Cleavage of Oximes to Carbonyl Compounds under Mild Condition

A facile, efficient oxidative deblocking of aldoximes and ketoximes to their corresponding aldehydes and ketones have been achieved by using silica gel supported chromium trioxide.     

Studies on 1,10-Phenanthroline Complexes of Some Hydroxyaryltellurium Trihalides

The synthesis and structural features of some newly synthesized 1,10-phenanthroline complexes of p-hydroxyphenyl-and 3-methyl-4-hydroxyphenyltellurium trihalides (chlorides, bromides, and iodides) are reported. The resulting complexes have been subjected to elemental analyses, conductance and cryoscopic measurements, infra-red and proton magnetic resonance spectral studies. Solution studies reveal the weak to 1:1 electrolyte type behavior of these complexes in solution. Spectral studies indicate the linkage of phenanthroline to the tellurium atom through the nitrogen atoms. Central tellurium atom in these complexes is hexa-coordinated in an octahedral way.     

Structural designing,spectral and computational studies of bioactive Schiff's base ligand and its transition metal complexes

Transition metal complexes of Mn(II) and Ni(II) have been synthesized with novel bioactive Schiff's base ligand. Schiff's base ligand i.e. benzoylacetone‐bis(2‐amino‐4‐methylbenzothioazole) has been synthesized via condensation reaction between 2‐amino‐4‐methylbenzothioazole and benzoylacetone in 2:1 ratio, respectively. Synthesized ligand has been characterized using elemental analysis, infra‐red, ¹H–NMR and mass spectroscopy techniques. Characterization of complexes was based on magnetic moment, molar conductance, elemental analysis, electronic spectra, infra‐red and EPR spectroscopic techniques. Molar conductance data suggest that metal complexes are non‐electrolytic in nature. Therefore, these complexes are formulated as [M(L)X₂], where M = Mn(II), Ni(II), L = Schiff's base ligand, X = Cl^?, CH₃COO^?, NO₃^?. Data of characterization study suggest octahedral geometry for Mn(II) and Ni(II) complexes. Geometry of metal complexes was also optimized with the help of computational study i.e. molecular modelling. Computational study also suggests octahedral geometry for complexes. Free ligand as well as its all metal complexes have been screened against the growth of pathogenic bacteria (E.coli, S.aureus) and fungi (C.albicans, C.krusei, C.parapsilosis, C.tropicalis) to assess their inhibition potential. The inhibition data revealed that metal complexes exhibit higher inhibition potential against the growth of bacteria and fungi microorganisms than free ligand.     

Molecular dynamics investigations on polishing of a silicon wafer with a diamond abrasive

During the final stages of polishing silicon wafers, much of the interactions between silicon and diamond abrasive takes place at the silicon asperities. These interactions, leading to material removal, were investigated in a MD simulation of polishing of a silicon wafer with a diamond abrasive under dry conditions. Simulations were conducted with silicon asperities of different geometries, different abrasive configurations, and polishing speeds. Under the conditions of polishing, the silicon atoms from the asperities were found to bond chemically to the surface of the diamond abrasive. Continued transverse motion of the diamond abrasive (relative to the silicon asperity) leads to tensile pulling, necking, and ultimate separation of the silicon asperity material instead of conventional material removal in polishing (chip formation) involving cutting/ploughing, which takes place in the absence of chemical bonding between the abrasive and the asperity material. This phenomenon has not been reported previously in the literature. The thrust and cutting forces initially increase due to the increase in the number of asperity atoms affected finally reaching a maximum. This is followed by a decrease of these forces due to tensile pulling and formation of individual strings followed by ultimate separation or breakage of the final string. The ratio of thrust force (F _z ) to the cutting force (F _x ), i.e. |(F _z /F _x )| was found to increase continuously to a maximum of ～0.8 followed by continuous decrease to ～0.25. This is in contrast to a more or less constant value of ～2 in the case of tools with rounded radii or tools with large negative rake angles, where material is removed in the form of chips ahead of the tool. Three regions of the asperity have been identified that are useful in the development of a phenomenological model for polishing that enables computation of material removal rates: (1) the region directly in front of the abrasive for which the probability of the removal of an asperity atom is close to unity, (2) the distant region where this probability is nearly zero, and (3) an intermediate region from which the probability of removal is close to half.     

Study of mixed micellar aqueous solutions of sodium dodecyl sulfate and amino acids

Thermodynamic properties of sodium dodecyl sulfate (SDS) in micellar aqueous solutions of L-serine and L-threonine were determined by fluorescence spectroscopy and dynamic light scattering techniques. The values of Gibbs free energy, enthalpy and entropy of the process of micelle formation were calculated using the critical micelle concentration and degree of dissociation. Changes in critical micelle concentration of SDS with the addition of amino acids were examined by both conductivity and pyrene I ₁/I ₃ ratio methods at different temperatures. The pyrene fluorescence spectra were used to study the change of micropolarity produced by the interaction of SDS with amino acids. The aggregation behavior of SDS was explained in terms of structural changes in mixed solutions. The data on dynamic light scattering suggest that size of SDS micelles was influenced by the presence of amino acids.     

QSAR Study on Binding Affinity of PATs (Rodenticides) to the [3H]-Mepyramine-Labelled H1 Receptor In Rat and Guinea Pig Brain

Abstract

The binding of a series of PAT analogues (rodenticides) to the [³H]-mepyramine-labelled H₁ receptor in rat and guinea pig brain was investigated topologically using negentropy (N), molecular redundancy (MRI), first-order molecular connectivity (¹X _v ), Wiener (W), and Szeged (Sz) indices. Multiple regression analyses showed that MRI provided excellent results upon introduction of indicator parameters. Predictive ability of the proposed models was discussed using cross-validation parameters.     

Heteropoly Acids as Heterogeneous and Reusable Catalyst for α-Thiocyanation of Ketones

Simple, efficient, and mild method for α-thiocyanation of ketones in presence of heteropolyacid has been developed. This methodology offered α-oxothiocyanates in good to excellent yields at room temperature in a highly selective manner. The catalyst could be efficiently recovered from the reaction and reused.