结合物

The transfer behavior of pyrazolone derivatives, such as antipyrine, aminopyrine, 4-aminoantipyrine and analgin, across the W/NB interface was investigated. The three medicines studied can form complex with a proton and the complex formed can transfer reversely across the W/NB interface and the transfer process was controlled by diffusion. The transfer of protonated analgin was not observed within potential window because of its high transfer potential.

研究了吡唑啉酮类的安替比林、氨基比林、4-氨基安替比林和安乃近四种药物在W/NB界面的转移行为，前三种药物在一定pH值的水溶液中结合一个质子形成1∶1质子配合物，并能在W/NB界面发生可逆转移，其转移过程受扩散控制，安乃近的质子化物由于有较高的转移电位而未在电位窗内观察到其转移峰。

Apha amylase was difficult to bind with the substrate, ther fore the hydrolysis rate decreased with time.

此外，当酶水解发生到一定程度，淀粉分子链长度变得很短。alpha淀粉酶与酶作用物的结合较难，因此水解速率随着反应的进行时间下降。

It uses L- Arabinose -Binding Protein Complex bound to L- Arabinose ( pdb code 1ABE) as an example system.

用结合 L-阿拉伯糖的复合物作为一个例子（1ABE ）。

The generalized relationship which correlates the geminal coupling constants with the hybrid orbitals, net atomic charges, bond lengths and bond angles had been employed to obtain one concrete relationship for calculation of the geminal coupling constants 2JCaCbH in aromatic systems.

在前文工作的基础上，本文结合MNDO分子轨道方法和最大键级杂化轨道方法研究得到了计算苯及其取代物中孪位偶合常数2JCCH的多元级性关系式。

The frontier orbital energies and total atomic charges of the optimized and active Huperzine A molecules showed that the electron transfer should have happened from the active site of enzyme to Huperzine A in the complex, the changes of the energies, atomic charges, bond lengths and the Mullicken Bonding Population revealed the strong interaction between Huperzine A and enzyme.

石杉碱甲分子的能量以及键长、键级的变化都表明酶和底物之间有较强烈的结合作用。

It was used to simulate the catalytic distillation column of methyl acetate and methanol azeotrope hydrolysis combined with the macro-dynamic equation of methyl acetate hydrolysis.

应用该方法结合实验测定的醋酸甲酯催化水解动力学数据对醋酸甲酯与甲醇共沸物催化精馏水解小试过程进行了模拟计算，得到了满意的结果。

Took Chongqing Gong-he tunnel as an engineering example and studied the failure mechanism of surrounding rock and the correlation with bolt support system by using the methods of theoretical analysis, modeling test, numerical simulation and in situ test, some helpful conclusions were arrived as follows.Firstly, a new failure criterion for transversely isotropic rock mass was proposed with consideration of bedding plane orientation and major principal stress, and the corresponding algorithm, arrived through VC++6.0, can be easily embedded into the software FLAC3D for the geotechnical calculation.

论文在国家自然科学基金专项基金创新群体基金项目(No.50621403)以及国家自然科学基金重点项目"隧道与地下空间工程结构物的稳定性与可靠性(No.50334060)"的资助下，以共和隧道为示范工程，运用理论分析、物理模型实验、数值模拟和现场测试等手段，对共和隧道大埋深段层状岩体的围岩变形破坏机理、锚杆支护力学效应及围岩-支护结构的变形特征等内容进行了研究，其主要研究成果有：①在总结和探讨国内外学者提出的层状岩体经验型连续介质破坏准则基础上，结合层状岩体力学特性，考虑层面方向和最大主应力方向两个影响因素，提出了共和隧道层状岩体横观各向同性破坏准则；采用汇编语言VC++6.0实现了横观各向同性弹塑性本构关系的算法，并嵌入FLAC3D有限差分数值分析软件接口中实现数值运算。

Considering complicated conditions of the coastal dynamic environment, sediment dynamics, and together with the immature sediment itself, the predicted results will be somewhat limited if only with numerical model. So, in order to obtain microcosmic quantitative assessment and macroscopically understanding, numerical model is combined with field observations in the thesis. Firstly, the tidal current, SSC distribution, benthal deposited materials were basically analyzed by field observations. Then, the tidal current, SSC distribution, and the erosion and accumulation of the seabed were simulated with the numerical model of ECOMSED.

但由于海岸动力环境多变，泥沙运动复杂，加之泥沙问题本身的复杂性，如仅用数学模型，其预测结果将受到一定的限制，故本文采用实测调查与数学模型计算相结合的方法，宏观把握，微观量化，在掌握岚山港西突堤工程所在海域潮流、悬沙量分布、表层底质沉积物类型及特点基本态势的基础上，紧扣开发工程可能引起潮流场变化，分析工程后悬沙量、海底冲淤变化及其空间分布，进而建立潮流作用下的泥沙输运数学模型，首先比较好地模拟目前岚山港西突堤工程附近海域的潮流场和悬沙场，然后预测海湾沿岸可能引起的冲淤强度变化和冲淤区域的空间分布。

Our goal is to establish a simple and effective empirical approach to calculate the conformational entropy and the binding free energy by analysis of J: protein interface.

我们的目的是通过分析蛋白质复合物的界面信息来拟合计算构象熵和结合自由能的简单有效的半经验模型。

Our goal is to establish a simple and effective empirical approach to calculate the conformational entropy and the binding free energy by analysis ofJ:protein interface.

我们的目的是通过分析蛋白质复合物的界面信息来拟合计算构象熵和结合自由能的简单有效的半经验模型。

On the other hand, the more important thing is because the urban housing is a kind of heterogeneity products.

另一方面，更重要的是由于城市住房是一种异质性产品。

Climate histogram is the fall that collects place measure calm value, cent serves as cross axle for a few equal interval, the area that the frequency that the value appears according to place is accumulated and becomes will be determined inside each interval, discharge the graph that rise with post, also be called histogram.

气候直方图是将所收集的降水量测定值，分为几个相等的区间作为横轴，并将各区间内所测定值依所出现的次数累积而成的面积，用柱子排起来的图形，也叫做柱状图。