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41.
Svein G. Dahl Peter A. Kollman Shashidhar N. Rao U. Chandra Singh 《Journal of computer-aided molecular design》1992,6(3):207-222
Summary The side-chain conformations of psychoactive phenothiazine drugs in crystals are different from those of biologically inactive ring sulfoxide metabolites. This study examines the potential energies, molecular conformations and electrostatic potentials in chlorpromazine, levomepromazine (methotrimeprazine), their sulfoxide metabolites and methoxypromazine. The purpose of the study was to examine the significance of the different crystal conformations of active and inactive phenothiazine derivatives, and to determine why phenothiazine drugs lose most of their biological activity by sulfoxidation. Quantum mechanics and molecular mechanics calculations demonstrated that conformations with the side chain folded over the ring structure had lowest potential energy in vacuo, both in the drugs and in the sulfoxide metabolites. In the sulfoxides, side chain conformations corresponding to the crystal structure of chlorpromazine sulfoxide were characterized by stronger negative electrostatic potentials around the ring system than in the parent drugs. This may weaken the electrostatic interaction of sulfoxide metabolites with negatively charged domains in dopamine receptors, and cause the sulfoxides to be virtually inactive in dopamine receptor binding and related pharmacological tests. 相似文献
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The one-pot cyclocondensation of 2,6-diaminopyrimidin-4-one, an aromatic or aliphatic aldehyde and a beta-ketoester in acetic acid, or dimethyl sulfoxide in the presence of zinc(II) bromide, under thermal conditions provided dihydropyrido[2,3-d]pyrimidin-4(3H)-ones in good yield and with total regiocontrol. 相似文献
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46.
B. Brocklehurst R.S. Dixon E.M. Gardy V.J. Lopata M.J. Quinn A. Singh F.P. Sargent 《Chemical physics letters》1974,28(3):361-363
Excited state formation by ion recombination in solutions of fluorene in squalene has been studied by pulse radiolysis at the center of a large electromagnet. The products of the slower part of the ion recombination are affected by an applied magnetic field. The fluorescence yield increases by a factor of about 1.5 whereas the triplet yield decreases. 相似文献
47.
A. S. Paschoa M. Cholewa K. W. Jones N. P. Singh M. E. Wrenn 《Journal of Radioanalytical and Nuclear Chemistry》1987,115(2):231-240
A combination of two techniques, PIXE (particle induced x-ray emission) and RBS (Rutherford backscattering), is proposed as an analytical tool to measure uranium and thorium in environmental and biological samples and in the study of the micro-distribution of uranium is low Z matrices such as biological tissue.Work supported by U.S. Department of Energy Contracts DE-AC02-76CH-00116 (MC, KWJ) and DE-AC02-76EV-00119 (NPS, MEW). One of us (ASP) is grateful to FINEP (Financiadora de Estudos e Projetos) and CNPq (Conselho Nacional de Desenvolvimento Cientifico e Technológico). 相似文献
48.
R. N. Singh S. Sujatha G. K. Mishra 《Journal of Radioanalytical and Nuclear Chemistry》1990,146(6):427-436
The distribution ratios for the extraction of Zr(IV) by TBP and its binary mixtures with DMSO or Py in n-dodecane in the presence of HNO3, and HClO4 have been determined. Based on stoichiometric and slope analysis methods a possible mechanism for the extraction has been proposed. 相似文献
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50.
L. Stachowicz S. K. Singh E. Wender S. L. Girshick 《Plasma Chemistry and Plasma Processing》1993,13(3):447-461
Heat-treated rice hulls have been used as precursor material for synthesis of ultrafne SiC in a RF plasma reactor. Rice hulls containing finely distributed silica and active carbon act as a source for SiC formation. The plasma-synthesized powder contained ultrafnc -SiC with excess carbon and some unreacted silica. Post-treatment processes such as oxidation and acid (HF) treatment appear to be effective in removing the excess carbon and silica. 相似文献