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However, fully consideration of special structure and physiological function of CRP is critical to investigate whether CRP provide protect effect or pathogenic effect in the progression of atherosclerosis. CRP is a member of pentrxins family, which consists of five identical, noncovalently associated 23-kDa protomers arranged symmetrically around a central pore with a 102 A external diameter. Each protomer has a recognition face with a phosphocholine binding site consisting of two coordinated calcium ions adjacent to a hydrophobic pocket. The opposite face of the pentamer is the effector face, where complement Clq binds and Fc receptors are presumed to bind. A cleft extends from the center of the protomer to the central pore of the pentamer. Both faces ofpentamer form a special bi-phase structure: one face is the ligand recognition phase, which can recognize apoptosis cells and enzyme modified low density lipoprotein in which PCh is exposed.

CRP是一种五聚体蛋白，外径为102 A，由5个相同的单体以非共价键结合，形成双面的环形结构，每个单体的配体识别位点或受体结合位点分别位于五聚体两个平面上，分别组成配体识别相和效应器相，从而构成特殊的二相性结构：一面为配体识别相，含有磷酸胆碱(phosphorycholine，PCh)结合位点，能够使CRP识别在病理条件下暴露出PCh的凋亡细胞、酶修饰低密度脂蛋白(enzyme modified low density lipoprotein，E-LDL)等。E-LDL是天然低密度脂蛋白(native Low density lipoprotein，N-LDL)在多种蛋白酶，如胰蛋白酶、神经氨酸酶、胆固醇酯酶等作用下的代谢产物，其主要特点是结构发生改变(N-LDL大小均匀，平均直径250±30 A，E-LDL大小差异极大，直径为100-2000 A)，暴露磷酸胆碱位点，能够被CRP识别；另一面为效应器相，能够与巨噬细胞、单核细胞表面受体FcγRⅡa结合，介导巨噬细胞、单核细胞识别及吞噬凋亡、坏死细胞作用。

Our results indicate that it is essential to consider electronic polarizations of the substrates in order to understand different binding affinities in protein-protein and protein-ligand binding.

我们的结果表明在对于蛋白质和蛋白质以及蛋白质和配体的结合自由能，结合强度的研究中，考虑极化效应的影响是必须的。

The purpose of the paper is to build a module of small molecular receptor fragments charactering normal VLDL-R binding function and study the mechanism of VLDL-R binding to ligand.

建立具有正常极低密度脂蛋白受体结合功能的小分子受体片段模型并借助此模型研究VLDL受体与配体结合的作用机制。

Since the binding free energy is the best thermodynamic parameter in charactering the binding affinity of ligand to receptor, it has been used widely in medicinal chemistry and drug discovery and development. The developments of three-dimensional structure determination techniques of macrobiomolecules and computer science allow the binding free energy between drugs and receptors can be predicted accurately.

现在的一些类药性评价规则采用的是和分子大小相关的描述符，所以它们虽然能够有效地将平均分子量较大的&类药性&数据库—MDDR(MACCS-ⅡDrug Data Report)和平均分子量较小的&非类药性&数据库—ACD区分开来，但是却无法有效地区分平均分子量相近的&类药性&数据库—CMC(Comprehensive Medicinal Chemistry)与ACD。

It is shown from study results that the soluble iron has a strong controlling effect on the phytoplanktonic growth, and most of soluble iron is chelated with ligand such as siderophore with high affinity to Fe 3+.

研究表明，可溶性铁对浮游植物生长有很强的控制作用，大部分可溶性铁是同具有极强铁亲和力的配位体螯合在一起的，如铁载体。

The latter Cu site is coordinated by two N atoms from an en ligand and by three cyanides in a distorted square-pyramidal environment.

它们的不对称单元由两个〓阳离子（占有率0.5），一个〓阳离子，和一个〓阴离子，以及四个水分子。

X-ray crystal structure analysis for complex 1 reveals that the copper ion is penta-coordinated by a D-and a L-diamine ligand, and two copper ions are bridge-connected by two cyanides from [Fe6](superscript 3-) in axial position.

晶体结构分析表明，化合物1中Cu离子处于五配位的配位环境，分别和1个D-La，1个吞L-La及[Fe6](上标 3-)中的l个氰基配位，2个Cu离子通过[Fe6](上标 3-)桥联。

The main reason of complex with greater nonlinear refractive index is that the complex has larger conjugated delocalized system and there are electrons shifting between ligand and metal atom.

选择具有π键的配体与金属离子合成为配合物，使其非线性效应明显增强，这对合成性能更好的非线性材料有一定的参考价值。

For the geometrical reason,〓sphenylphosphinoethanein complexe(2)acts as an excellent〓elating ligand,the important feature of compound(3)and(4)is re-〓 to the single bridge dppe by which two tetrahedron 〓 or〓 linked together.

化合物（3）、（4）均涉及到叔膦dppe以单桥形式连结两个四面体〓，但化合物（3）为具有三种构象的流变性分子。

As theπ-conjugated length of bridging ligand increases, the energies of HOMOs and LUMOs, stabilities of dimers and the largest absorption strength increase whereas the ionization potentials decrease. According to the inner reorganization energy and density of states, we presume the hole-transporting properties of these dimers are better than the electron-transporting.

随着桥联配体共轭长度的增加，HOMO和LUMO的能量、配合物的稳定性以及最大阵子强度增大，然而电离势降低；从重组能和态密度的角度来看，我们认为这些分子的空穴传输性能优于电子传输性能。

Dixie itself is a nickname for the American South.

Dixie 本身是美国南部的别称。

I think John Terry epitomises that and a big reaction is what we will be looking for.

而我认为特里就是这样一个典型，他正是我们期望看到的那个领秀。