Quantum-mechanical reaction rate constants from centroid molecular dynamics simulations: Barrier crossing in an asymmetrical double-well

Quantum-mechanical reaction rate constants were calculated from centroid molecular dynamics (CMD) simulations, for the case of barrier crossing in an asymmetrical double-well potential bilinearly coupled to a harmonic bath. The calculation is based on a recently proposed formulation of the reaction rate constant in terms of the position—flux correlation function, which can be approximated via CMD in a well-defined manner. The predictions of CMD and various simplified versions of it are compared to exact results, which were obtained via the quasi-adiabatic propagator path integral (QUAPI) method, and/or path integral quantum transition state theory (PI-QTST). The predictions based on CMD are found to be in good agreement with both.     

浅析体系转换法和粘贴碳纤维加固法在桥梁加固中的应用

通过对桥梁加固技术的研究，讨论了体系转换法和粘贴碳纤维布加固法的具体应用。     

灌溉水库水资源优化调度

以榆社云簇水库为例、以水库灌区多种作物所能达到的最大产值为目标函数，本文研究了一套灌溉水库用水优化调度模型。它包括计划调度模型和实时调度模型两部分，适用于干旱半干旱地区灌溉水量不足的水库的用水调度。     

浅谈土坝测压管的分析论证

通过对几座典型水库大坝原型观测设施的分析论证，总结了土坝测压管观测设备分析论证的步骤和方法，从观测设施的考证及全面性、合理性、可靠性等方面进行分析，以确定各测压管的可操作性，从而为观测资料的准确性以及整编分析提供可靠的保证。     

酒精中甲醇,水在NaA沸石上吸附性能的研究

本文测定了酒精中甲醇、水单组分及二元组分的吸附等温线,并用Langmuir方程进行了拟合。在固定床动态吸附研究申测定了酒精中甲醇、水单组分及双组分吸附穿透曲线;着重考察了流速、温度、不同甲醇和水含量对双组分吸附性能的影响。对二个组分的传质机理及置换关系进行了分析探讨。     

单元系T—p相图的数学结构

作者以化学元素的稳定单质为基准,推演出了任意物质M_i(相态Ω)的热力学生成活度{相态Ω)的函数形式:?D_Ω数值的大小体现着相态Ω的热力学相对稳定性.根据集合论原理沿D(稳定性)座标取极大值的方法把物理性质互不连续的各个异相态连结在一起,建立了单元系在T-p面上的优势分布方程(PSDE):■作者以H_2O为实例,计算了T-p相图,与实验相图基本一致.     

死髓变色前牙的激光漂白治疗临床评价

本文的研究目的是探讨激光冠内漂白治疗死髓牙变色的治疗作用。材料与方法 :漂白基本操作同激光活髓牙变色的漂白操作程序。先将牙龈及口唇有效防护 ,将漂白药物放在唇舌两面并同时封入根冠内。结果 :所有牙齿的灰暗变色均有 3- 5级的色度提高。平均治疗次数为 3.4± 0 .75 ,脱色 85 %以上的占 89%。结论 :牙齿创伤和牙髓分解是冠内变色的常见原因 ,激光冠内漂白是治疗这种变色的有效手段 ,可以完全恢复患者的自信。     

CBF beta-SMMHC, expressed in M4Eo AML, reduced CBF DNA-binding and inhibited the G1 to S cell cycle transition at the restriction point in myeloid and lymphoid cells

CBF beta-SMMHC is expressed from the inv(16) chromosome in M4Eo AML. Mice lacking CBF subunits or expressing the CBF beta-SMMHC or AML1-ETO oncoproteins failed to develop definitive hematopoiesis. To investigate these effects on hematopoiesis, we expressed CBF beta-SMMHC from the metallothionein promoter, in both 32D cl3 myeloid cells and Ba/F3 B-lymphoid cells. Addition of zinc increased CBF beta-SMMHC levels more than tenfold, with higher levels evident in Ba/F3 lines. Levels obtained in 32D cl3 cells were similar to those of endogenous CBF beta. Indirect immunofluorescence revealed zinc-inducible speckled, nuclear staining in Ba/F3 cells and diffuse nuclear staining in 32D cl3 cells. CBF beta-SMMHC reduced endogenous CBF DNA-binding fivefold in both cell types, increased cell generation time 1.9-fold, on average, in 32D cl3 cells and 1.5-fold in Ba/ F3 cells and decreased tritiated thymidine incorporation into DNA correspondingly. CBF beta-SMMHC increased the proportion of cells in G1 1.7-fold, on average, in 32D cl3 and Ba/F3 cells, and decreased the proportion of cells in S phase by a similar degree. CBF beta-SMMHC induced a marked increase in hypophosphorylated Rb, but did not alter IL-3 Receptor alpha or beta subunit levels. Neither apoptosis nor 32D differentiation was induced by zinc in IL-3 in these lines. Induction of CBF beta-SMMHC in 32D cl3 cells did not inhibit their differentiation to neutrophils or their expression of myeloperoxidase mRNA in G-CSF, and did not produce an eosinophilic phenotype. Additional, proliferative genetic changes in M4eo AMLs might potentiate inhibition of differentiation by CBF beta-SMMHC by allowing its increased expression.     

一种图文数据库系统的设计与实现

随着计算机技术的发展和水平的提高，图像，声音，图形等多媒体信息逐步应用于管理信息系统之中。文章中提出了图文数据库系统设计中存在的三个基本问题。讨论了介绍了图文数据库系统的设计方法和实现技术。