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991.
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
992.
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
993.
1 INTRODUCTION The bimetallic nanoclusters are of standing inte- rest since they can exhibit catalytic, electronic and optical properties distinct from those of corre- sponding pure nanoclusters[1~4]. Palladium and pla- tinum, well known for their catalytic properties, are often used as the catalyst in different fuel cells[5~8]. Several experimental results illustrate that for the oxygen reduction reaction (ORR), which is one of the primary reactions taking place in many fuel cells and… 相似文献
994.
995.
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
996.
997.
998.
999.
Z. Mikulová P. Čuba J. Balabánová T. Rojka F. Kovanda K. Jirátová 《Chemical Papers》2007,61(2):103-109
The effect of hydrothermal treatment on properties (crystallinity, porous structure, reducibility, acidity, basicity, and
catalytic activity and selectivity in toluene and ethanol total oxidation) of Ni—Al layered double hydroxide precursors and
related mixed oxides was examined. The hydrothermal treatment increased considerably both the content of crystalline phase
and LDH crystallite size. On the other hand, only a slight effect of the precursor hydrothermal treatment on crystallinity
of the related Ni—Al mixed oxides obtained by calcination at 450°C was observed. The reducibility of NiO particles appeared
to be hindered considerably compared to the reducibility of pure NiO. Catalytic activity of the Ni—Al mixed oxides prepared
from the precursors hydrothermally treated for a short time (4 h) was the highest. The highest amount of acetaldehyde formed
during the total oxidation of ethanol, i.e. the worst selectivity was found for the calcined Ni—Al LDH without hydrothermal treatment.
Presented at the 33rd International Conference of the Slovak Society of Chemical Engineering, Tatranské Matliare, 22–26 May
2006. 相似文献
1000.
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