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排序方式: 共有200条查询结果,搜索用时 31 毫秒
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B. Prathab T. M. Aminabhavi R. Parthasarathi V. Subramanian 《Theoretical chemistry accounts》2007,117(1):167-169
Molecular dynamics simulations have been carried out on different perfluoroalkyl methacrylates to predict their densities. Density calculations on selected perfluoroalkyl methacrylates have been performed using molecular dynamics in the NPT ensemble by employing COMPASS force field. The calculated density values compared quite well with the experimental data reported in the literature. 相似文献
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Silver-palladium nanodispersions in silicate matrices: highly uniform, stable, bimetallic structures
Ag-Pd nanobimetallic colloidal particles are prepared in a single step by a chemical reduction method. Organically modified aminosilicate is used as a supporting matrix as well as a stabilizing agent, to obtain very uniform, well-distributed bimetallic particles. These nanoparticles are found to be stable for several months in both the solid and the liquid phases. The structure of the bimetallic particles has been followed by X-ray photoelectron spectroscopy and ultraviolet-visible spectroscopy. The distribution and the particle size are determined by transmission electron microscope and X-ray diffraction studies. Polymerization and condensation of the support silicate material have been confirmed by Fourier transform infrared spectroscopy. 相似文献
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G. Vasuki S. Thamotharan V. Parthasarathi K. Ramamurthi S. Dubey D. P. Jindal 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(10):o598-o599
The title compound, C32H45N2O+·Br?·0.5H2O, has the outer two six‐membered rings in chair conformations, while the central ring is in an 8β,9α‐half‐chair conformation. The five‐membered ring of the steroid nucleus adopts a slightly deformed 14α‐envelope conformation. The pyridylmethylene moiety has an E configuration with respect to the hydroxyl group at position 17. The structure is stabilized by a network of O—H?Br‐type intermolecular hydrogen bonds. 相似文献
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The kinetics of the interaction of DL-methionine with [Pt(en)(H2O)2]2+ have been studied spectrophotometrically as a function of [Pt(en)(H2O)22+], [DL-methionine], PH and temperature. The reaction proceeds via a rapid outer sphere association followed by two slow consecutive steps having first order dependence on the aqua ion and methionine concentrations. Activation parameters have been evaluated using the Eyring equation. The low H1 (15.6 kJ mol–1) and large negative value of S1 (–230 J K–1 mol–1) as well as H2 (19.5 kJ mol–1) and S2 (–226 J K–1 mol–1) indicate an associative mode of activation for both the aqua ligand substitution processes in the two consecutive steps. 相似文献
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R. Hema V. Parthasarathi S. Thamotharan S. Dubey D. P. Jindal 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(7):o421-o422
In the title compound, C31H40N2O·H2O, the outer two six‐membered rings are in chair conformations, while the central ring is in an 8β,9α‐half‐chair conformation. The five‐membered ring adopts a 13β‐envelope conformation and the cyanobenzylidene moiety has an E configuration with respect to the hydroxyl group at position 17. The steroid nuclei are linked by intermolecular O—H?O and O—H?N hydrogen bonds to form a molecular network. The molecular packing has an interesting feature, with the steroids aligned parallel to the b axis, forming a closed loop through hydrogen bonds linked via water molecules. 相似文献
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Wei Wang Dr. Parthasarathi Subramanian Oscar Martinazzoli Jun Wu Prof. Dr. Lutz Ackermann 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(45):10585-10589
Late-stage C−H glycosylations of structurally complex amino acids and peptides were accomplished by means of racemization-free manganese(I)-catalyzed C−H activation. Thus, glycosylative modifications proved to be viable by a linch-pin approach, featuring chemo- and site-selective C−H transformations. The peptide–saccharide conjugation provided modular access to structurally complex glycopeptides, likewise enabling the assembly of fluorescent-labelled glycopeptides. 相似文献
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Multidrug‐Containing,Salt‐Based,Injectable Supramolecular Gels for Self‐Delivery,Cell Imaging and Other Materials Applications 下载免费PDF全文
Rajdip Roy Prof. Parthasarathi Dastidar 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(42):14929-14939
Both molecular and crystal‐engineering approaches were exploited to synthesize a new class of multidrug‐containing supramolecular gelators. A well‐known nonsteroidal anti‐inflammatory drug, namely, indomethacin, was conjugated with six different l ‐amino acids to generate the corresponding peptides having free carboxylic acid functionality, which reacted further with an antiviral drug, namely, amantadine, a primary amine, in 1:1 ratio to yield six primary ammonium monocarboxylate salts. Half of the synthesized salts showed gelation ability that included hydrogelation, organogelation and ambidextrous gelation. The gels were characterized by table‐top and dynamic rheology and different microscopic techniques. Further insights into the gelation mechanism were obtained by temperature‐dependent 1H NMR spectroscopy, FTIR spectroscopy, photoluminescence and dynamic light scattering. Single‐crystal X‐ray diffraction studies on two gelator salts revealed the presence of 2D hydrogen‐bonded networks. One such ambidextrous gelator (capable of gelling both pure water and methyl salicylate, which are important solvents for biological applications) was promising in both mechanical (rheoreversible and injectable) and biological (self‐delivery) applications for future multidrug‐containing injectable delivery vehicles. 相似文献