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961.
Lee HJ Kim JH Jung HJ Kim KY Kim EJ Choi YS Yoon CJ 《Journal of computational chemistry》2004,25(2):169-178
The effect of thioamide substitution on the conformational stability of an azaglycine-containing peptide, For-AzaGly-NH2 (1), was investigated for the sake of finding possible applications by using ab initio and DFT methods. As model compounds, For-[psiCSNH]-AzaGly-NH2 (2), For-AzaGly-[psiCSNH]-NH2 (3), and For-[psiCSNH]-AzaGly-[psiCSNH]-NH2 (4) were used. Two-dimensional phi-psi potential energy surfaces (PESs) for 2-4 were calculated at the B3LYP/6-31G*//HF/6-31G* level in gas (epsilon = 1.0) and in water (epsilon = 78.4) by applying the isodensity polarizable continuum model (IPCM) method. On the basis of these PESs, the minimum energy conformations for 2-4 were characterized at the B3LYP level with 6-31G*, 6-311G**, and 6-31+G** basis sets. The remarkable structural effect of thioamide substitution for 2-4 is that beta-strand structure is observed as a global or local minimum. The minima of 2-4 are also compared with those for glycine and thioamide-containing glycine peptides. Our theoretical results demonstrate that compounds 2-4 would be used to design controllable secondary structures. 相似文献
962.
Molecular Replacement Studies of Cucurmosin from Cucurbita Moschata:Structure Homology with Trichosanthin 总被引:2,自引:0,他引:2
1 INTRODUCTION Many plants contain proteins that are capable of inactivating ribosomes and therefore are called ribosome-inactivating proteins or RIPs[1]. RIPs are RNA N-glycosidases that inactivate ribosomes through a site-specific deadenylation of the large ribosomal RNA[2, 3]. RIPs are also capable of inactivating many nonribosomal nucleic acid substrates and can be considered as polynucleotide: adenosine glycosidases[4~6]. There are two types of RIPs: type I, single chain pr… 相似文献
963.
本文研究了在表面活性剂存在性,铝与溴代二甲氨基苯基荧光酮的显色反应。在弱酸性介质中,Al^3+BDMAF-CTMAB三元配合物在水浴加热至70℃-80℃时形成,其最大吸收波长为577nm,Al^3+:BDMAF=1:2,表观摩尔吸光系数为1.34×10^5L.mol^-1.cm^-1,表观稳定常数为7.4×10^5。在PH9.5-10.5的氨性缓冲介质中,Al^3+-F^--BDMAF-非离子表面 相似文献
964.
965.
966.
967.
Summary A modified Wald statistic for testing simple hypothesis against fixed as well as local alternatives is proposed. The asymptotic
expansions of the distributions of the proposed statistic as well as the Wald and Rao statistics under both the null and alternative
hypotheses are obtained. The powers of these statistics are compared and its is shown that for special structures of parameters
some statistics have same power in the sence of order
. The results obtained are applied for testing the hypothesis about the covariance matrix of the multivariate normal distribution
and it is shown that none of the tests based on the above statistics is uniformly superior.
Research supported by the National Science Foundation Grant MCS 830149. 相似文献
968.
在稀H2SO4介质中,钼(Ⅵ)对硫酸联氨还原乙基橙的反应有强烈的催化作用。建立了催化动力学极谱法测定痕量钼的新体系,方法线性范围为20-300ng/mL,检出限为3.54ng/mL。方法应用于尿中中钼的测定,结果满意。 相似文献
969.
T. Bücherl M. Eschler A. Gruner N. Palibroda E. Wolff 《Journal of separation science》1994,17(11):765-769
An integral restrictor interface with jet separator for coupling capillary column supercritical fluid extraction – supercritical fluid chromatography with high resolution mass spectrometry (SFE-SFC-MS) has been built and used for the analysis of a fatty acid ester, and of polymer additives with a wide range of masses. The mobile phase used was supercritical carbon dioxide; a flame ionization detector (FID) was used in parallel with the mass spectrometer. Different SFC-MS interface operating conditions, e.g. temperature, restrictor position, flow rate, and sample transfer conditions were optimized to obtain good sensitivity and separation for these applications. In addition, the sensitivity of measurements performed with the direct insertion probe and by SFC-MS interface have been compared. 相似文献
970.
Qiang ZHAO Qian Kun ZHUANG 《中国化学快报》2005,16(9):1237-1240
With 1-Pymnebutyric acid (PBA) and multiwalled carbon nanotubes (MWNTs), glassy carbon electrode modified was successfully prepared. In phosphate buffer solution (pH 7,0), the direct electrochemistry of cytochrome C (Cyt C) was realized. In the cyclic voltammetry experiment two pairs of redox peaks ofCyt C were observed at 0.018 V and -0.314 V (vs. SCE), respectively. The redox reaction at 0.018 V was diffusion controlled, while the redox reaction at -0.314 V was adsorption controlled. 相似文献