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41.
毒蕈碱受体激动剂的三维定量构效关系研究 总被引:1,自引:0,他引:1
采用比较分子场分析法(CoMFA)研究了55个四氢吡啶类毒蕈碱受体激动剂的三维定量构效关系(3D-QSAR), 建立了具有较强预测能力的3D-QSAR模型. 所得模型的交叉验证相关系数(q2)为0.507, 常规相关系数(R2)为0.982 , 标准方差为0.218, 说明系列化合物分子周围立体场和静电场的分布与生物活性间存在良好的相关性. 模型不仅很好地预测了训练集和测试集化合物的活性, 而且为设计活性更高的受体激动剂提供了理论依据. 相似文献
42.
LI Xue-mei ZENG Cheng-chu NIU Li-ting YAN Hong ZHENG Da-wei ZHONG Ru-gang 《高等学校化学研究》2006,22(6):747-752
IntroductionSubstituted diketo acid derivatives possess a varie-ty of biological properties, such as analgesic[1—3], anti-bacterial[4]as well as anti-inflammatory[3]. Very re-cently, the results of random screening of millions ofcompounds have shown that… 相似文献
43.
LU Zai-Sheng② NIU De-Zhong LI Xiu-Ling 《结构化学》2003,22(5)
1 INTRODUCTION 3-Hydroxy-2-methyl-4-pyranone (maltol) and 3-hydroxy-2-ethyl-4-pyranone (ethylmaltol) are nontoxic compounds that have been applied to bio- inorganic chemistry over several decades[1, 2]. Their iron(III) complexes are relevant to the control of iron levels in the human body. Such complexes have been assessed for the amelioration of anaemia[3] and their respective ligands have been tested for the removal of excess burdens of iron in diseases such as siderosis, haemochroma… 相似文献
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HuaRongZHAO XiaoFengLI XinJianZHAO YangPingNIU 《中国化学快报》2004,15(11):1292-1294
Aryl selenoamides react smoothly with a-haloacetic acid in various alcohol to givecorresponding bis(carboxyalkylmethyl) diselenides in good yields. 相似文献
46.
ShuXiaCAO JianChenZHANG MingYuNIU KuiLU XinChengLIAO YuFenZHAO 《中国化学快报》2004,15(6):652-654
N-Phosphoryl peptide libraries were constructed by transformation from homo-oligopeptide libraries, which was synthesized by self-assembly of amino acids with the assistance of phosphorus oxychloride. Electrospray ionization mass spectrometry (ESI-MS) was used to monitor the reaction. 相似文献
47.
Top7 is a de novo designed protein with atomic level accuracy and shows a folded structure not found in nature. Previous studies showed that the folding of Top7 is not cooperative and involves various folding intermediate states. In addition, various fragments of Top7 were found to fold on their own in isolation. These features displayed by Top7 are distinct from those of naturally occurring proteins of a similar size and suggest a rough folding energy landscape. However, it remains unknown if and how the intra-polypeptide chain interactions among the neighboring sequences of Top7 affect the folding of these Top7 fragments. Here we used single-molecule optical tweezers to investigate the folding–unfolding pathways of full length Top7 as well as its C-terminal fragment (CFr) in different sequence environments. Our results showed that the mechanical folding of Top7 involves an intermediate state that likely involves non-native interactions/structure. More importantly, we found that the folding of CFr is entirely dependent upon its sequence context in which it is located. When in isolation, CFr indeed folds into a cooperative structure showing near-equilibrium unfolding–folding transitions at ∼6.5 pN in OT experiments. However, CFr loses its autonomous cooperative folding ability and displays a folding pathway that is dependent on its interactions with its neighboring sequence/structure. This context-dependent folding dynamics and pathway of CFr are distinct from those of naturally occurring proteins and highlight the critical importance of intra-chain interactions in shaping the overall energy landscape and the folding pathway of Top7. These new insights may have important implications on the de novo design of proteins.Optical tweezers experiments reveal that the folding of the C-terminal fragment of Top7 (cFr) is context-dependent. Depending on its neighboring sequence, cFr shows very different folding pathways and folding kinetics. 相似文献
48.
在酸性条件下合成氧化亚铜纳米立方体(英) 总被引:7,自引:0,他引:7
在微酸性(pH:4~6)的水热体系中130 ℃反应18 h合成了氧化亚铜纳米粒子,粒径约为100 nm,呈立方体外形。乙二胺和十六烷基胺在反应体系中充当缓冲试剂,调节反应液的pH值并控制体系中游离Cu2+的浓度,使得Cu2+不会被迅速还原成单质铜。所合成的纳米立方体的能带宽度约为2.51 eV,比氧化亚铜体材料和氧化亚铜纳米线蓝移了0.51 eV和0.17 eV,它有利于把太阳光谱中能量高的可见光转化成其他形式的能量。 相似文献
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Mononuclear copper(Ⅱ), nickel(Ⅱ) and cobalt(Ⅲ) tetracoordinate macrocyclic complexes were synthesized and spectroscopically characterized. The crystal structure of the three compounds were determined by X-ray crystallography. The electrochemical experimental results indicate that the three complexes could interact with DNA mainly by electrostatic interaction. The interaction of tetracoordinate macrocyclic cobalt(Ⅲ) complex with DNA was studied by cyclic voltammetry and UV-vis spectroscopy. The experimental results reveal that tetracoordinate macrocyc- lic cobalt(Ⅲ) complex could interact with DNA by electrostatic interaction to form a 1 : 1 DNA association complex with a binding constant of 7.50 ×10^3 L·mol^-1. 相似文献