ForceControl组态软件及其在MC尼龙管材中的应用

ForceControl工业控制组态软件是基于分布式实时数据库的3层可组态结构,其内部所有组件可以独立分布运行,并能通过网络服务程序与其它组件交换数据。实践证明,在MC尼龙管材生产监控应用中,能够缩短生产周期,提高生产系统可靠性,监控程序功能完善,综合性能强,人机界面友好。     

串行显示驱动器MC14499及其在单片机系统中的应用

MC144 99是一种BCD码输入 -十进制码输出的串行显示驱动器 .在单片机显示系统中 ,它占用的I/O口线少、单片控制显示位数多并且使用方便可靠 ,得到了广泛应用 .文章介绍了MC144 99的性能特点及其典型应用实例 ,包括通用接口电路设计、显示驱动程序设计及巧用MC144 99DP段构成特殊显示电路的方法、使用技巧等     

苦水玫瑰精油化学成份研究

本文研究了甘肃省苦水玫瑰精油的化学成份。并测定其物理化学性能,用毛细血管气相色谱和GC/MS联用法从苦水玫瑰精油中鉴定出48个组份,β-香茅醇和香叶醇的含量高达68%。用MS、IR和NMR等波谱法对这两个组份进行了解析确证。其理化特性与世界闻名的保加利亚玫瑰油十分接近。     

基于运动估计和边缘检测的隔行到逐行扫描图象的变换

提出了一种基于运动估计和边缘检测的隔行到逐行扫描图象的变换技术，这种方法对隔行到逐行扫描图象变换分成３种模式，并且提出了适合于隔行到逐行扫描图象变换的隔场运动估计和邻场运动补偿的方法，其中在运动模式和场内模式中都用到了方向性相关技术。     

Generalized brillouin theorem multiconfiguration method for excited states

The Generalized Brillouin Theorem Multiconfiguration Method (GBT-MC) of Grein and Chang is extended and applied to the calculation of excited states. Orthogonality constraints to lower states as well as second-order interaction effects of states lying close together have been taken into account. In this way quadratic convergence can be guaranteed. Difficulties with coupling coefficients and Lagrangian multipliers of SCF methods can be circumvented. Test calculations have been performed on valence electron excited states of C, H₂O, and CH₂O, and on core excited states of Li.     

催化剂用量对MC尼龙合成、形态与性能的影响

本文通过改变催化剂用量合成了三个系列MC尼龙,对其球晶形态及部分性能进行了表征.引发剂和活化剂用量对聚合速度,单体转化率和产物熔融指数都有很大影响.为保证MC尼龙有优良的综合性能,催化剂用量须控制在一定的范围内,减少催化剂用量是提高其抗冲击强度的有效途径.     

Biased fragment distribution in MC simulation of protein folding

Monte Carlo (MC) methods play an important role in simulations of protein folding. These methods rely on a random sampling of moves on a potential energy surface. To improve the efficiency of the sampling, we propose a new selection of trial moves based on an empirical distribution of three-residue (triplet) conformations. This selection is compared to random combinations of the preferred conformations of the three amino acids, and it is shown that the new trial moves lead to finding structures closer to the native conformation.     

Molecular mechanics conformational analysis of tylosin

The conformations of the 16-membered macrolide antibiotic tylosin were studied with molecular mechanics (AMBER* force field) including modelling of the effect of the solvent on the conformational preferences (GB/SA). A Monte Carlo conformational search procedure was used for finding the most probable low-energy conformations. The present study provides complementary data to recently reported analysis of the conformations of tylosin based on NMR techniques. A search for the low-energy conformations of protynolide, a 16-membered lactone containing the same aglycone as tylosin, was also carried out, and the results were compared with the observed conformation in the crystal as well as with the most probable conformations of the macrocyclic ring of tylosin. The dependence of the results on force field was also studied by utilizing the MM3 force field. Some particular conformations were computed with the semiempirical molecular orbital methods AM1 and PM3.     

Au-Ni 合金表面聚集的计算机模拟

应用改进分析型EAM模型(MAEAM)结合基于Metropolis 算法的Monte Carlo模拟方法,计算了800 K下Au-Ni 二元合金表面成分和剖面成分分布,包括Au含量在40%、50%、60%时(111)面和(100)面的情况,发现Au在(111)面和(100)面聚集,得到了与实验结果和其它理论结果相一致的结果.     

功能化聚乳酸大分子单体的合成与表征

以辛酸亚锡为催化剂、甲基丙烯酸羟乙酯(HEMA)为共引发剂引发消旋-丙交酯(D,L-LA)开环聚合,制备了末端双键功能化的聚乳酸大分子单体(MC),采用FT-IR、 1H NMR、GPC、拉伸强度和表面接触角测定等方法研究了大分子单体的结构与性能.结果表明,大分子单体中HEMA结构单元的含量与单体投料比中HEMA的含量基本一致;单体投料比对大分子单体的结构与性能有显著影响.