基于MATLAB的异步电动机线性化控制系统的仿真

从异步电动机在同步旋转坐标系下的状态方程出发，在一定的条件下，对其系数矩阵简化．推出异步电动机的线性化控制模型．并基于该模型得出异步电动机的线性化控制系统．以给定电机为例，对该模型的有效性、响应用MATLAB进行仿真分析．验证的结果说明上述模型具有实用价值．     

RO-heparin Inhibits L-Selectin-mediated Neutrophils Adhesion to Vascular Endothelium Under Flow Conditions

Introduction Migrationandrecruitmentofleukocytesfromblood toinflammatorylesionsitesaresequentiallyregulated byadhesionmoleculesandtheirreceptors[1].These lectinfamilyplaysamajorroleininitiatingattachement ofneutrophilstotheactivatedendothelium.P selectin,…     

化学键合吸附剂的合成及吸附行为

在无定型硅胶上化学键合十八烷基三氯硅烷，键合率17%-20％，粒度5μm-10μm，以此键合的吸附剂可有效地吸附香烟烟气中的焦油、亚硝胺，吸附率分别为15%-18％和37%-43％，研究了化学键合吸附剂的粒度和加入量对吸附性能的影响。     

Symmetry numbers and chemical reaction rates

This article shows how to evaluate rotational symmetry numbers for different molecular configurations and how to apply them to transition state theory. In general, the symmetry number is given by the ratio of the reactant and transition state rotational symmetry numbers. However, special care is advised in the evaluation of symmetry numbers in the following situations: (i) if the reaction is symmetric, (ii) if reactants and/or transition states are chiral, (iii) if the reaction has multiple conformers for reactants and/or transition states and, (iv) if there is an internal rotation of part of the molecular system. All these four situations are treated systematically and analyzed in detail in the present article. We also include a large number of examples to clarify some complicated situations, and in the last section we discuss an example involving an achiral diasteroisomer.     

笃斯茎中六种无机元素含量分析

应用原子吸收光谱法测定了内蒙古地产的笃斯茎、叶中的Cu,Fe,Zn,Mn,Ca,Mg等六种人体必需微量元素及宏量元素的含量。从而为评价笃斯的品质及其药理、药效提供了具有一定价值的数据。     

治疗胆石症蒙药苏斯-12中多种元素的ICP-AES法测定及分析

通过分析治疗胆囊炎、胆石症的蒙药苏斯—12中微量元素含量,探讨蒙药苏斯—12的药效与微量元素含量的关系。应用高压密封微波消解、电感耦合等离子体原子发射光谱法(ICP-AES)对蒙药苏斯—12进行微量元素含量分析。在蒙药的配制及整体研究工作中发现它们含有多种氨基酸和丰富的微量元素,实验结果表明：苏斯—12中含有丰富的微量元素,尤其Ca,Al,Mg,Fe,Sr,Mn,Zn,Cu等元素的含量比较高,而Pb,Cd,As等元素含量相对低,都低于国家限定值。加标回收率在94.63%～106.40% 之间,相对标准偏差RSD≤3.35 %,检出限在≤0.009 μg·L-1。蒙药苏斯—12有效控制和治疗胆囊炎、胆石症,总有效率达91.2%和100%,蒙药苏斯—12中的微量元素与药效之间有密切的关系。     

VinaMPI: Facilitating multiple receptor high‐throughput virtual docking on high‐performance computers

The program VinaMPI has been developed to enable massively large virtual drug screens on leadership‐class computing resources, using a large number of cores to decrease the time‐to‐completion of the screen. VinaMPI is a massively parallel Message Passing Interface (MPI) program based on the multithreaded virtual docking program AutodockVina, and is used to distribute tasks while multithreading is used to speed‐up individual docking tasks. VinaMPI uses a distribution scheme in which tasks are evenly distributed to the workers based on the complexity of each task, as defined by the number of rotatable bonds in each chemical compound investigated. VinaMPI efficiently handles multiple proteins in a ligand screen, allowing for high‐throughput inverse docking that presents new opportunities for improving the efficiency of the drug discovery pipeline. VinaMPI successfully ran on 84,672 cores with a continual decrease in job completion time with increasing core count. The ratio of the number of tasks in a screening to the number of workers should be at least around 100 in order to have a good load balance and an optimal job completion time. The code is freely available and downloadable. Instructions for downloading and using the code are provided in the Supporting Information. © 2013 Wiley Periodicals, Inc.     

Efficient calculation of SAMPL4 hydration free energies using OMEGA,SZYBKI, QUACPAC,and Zap TK

Several submissions for the SAMPL4 hydration free energy set were calculated using OpenEye tools, including many that were among the top performing submissions. All of our best submissions used AM1BCC charges and Poisson–Boltzmann solvation. Three submissions used a single conformer for calculating the hydration free energy and all performed very well with mean unsigned errors ranging from 0.94 to 1.08 kcal/mol. These calculations were very fast, only requiring 0.5–2.0 s per molecule. We observed that our two single-conformer methodologies have different types of failure cases and that these differences could be exploited for determining when the methods are likely to have substantial errors.