Synthesis of lupeol derivatives and their antileishmanial and antitrypanosomal activities

The natural product lupeol 1 was isolated from aerial parts of Vernonia scorpioides with satisfactory yield, which made it viable to be used as starting material in semisynthetic approach. Ten lupeol derivatives 2–11 were prepared by classical procedures. Including, five new esters derivatives 7–11, which were obtained by structural modifications in the isopropylidene fragment. All semisynthetic compounds and lupeol 1–11 were confirmed by ¹H NMR, ¹³C NMR and HRMS. Their antiprotozoal activity was evaluated in vitro against L. amazonensis and T. cruzi. Derivative 6 showed the best antitrypanosomal activity (IC₅₀ = 12.48 μg/mL) and the lowest cytotoxic derivative (CC₅₀ = 161.50 μg/mL). The mechanism of action of the most active derivatives (4, 6 and 11) is not dependent from the enzyme trypanothione reductase.     

The Determination of Protonation Constants of Some Amino Acids and Their Esters by Potentiometry in Different Media

In this study, stoichiometric protonation constants of L-tyrosine, L-cysteine, L-tryptophane, L-lysine, and L-histidine, and their methyl and ethyl esters in water and ethanol–water mixtures of 30, 50, and 70% ethanol (v/v), were determined potentiometrically using a combined pH electrode system calibrated as the concentration of hydrogen ion. Titrations were performed at 25^∘C and the ionic strength of the medium was maintained at 0.10 mol⋅L⁻¹ using sodium chloride. Protonation constants were calculated by using the BEST computer program. The effect of solvent composition on the protonation constants is discussed. The log₁₀ K₂ values of esters generally decreased with increasing ethanol content. However, the log₁₀ K₁ values of the esters of L-tyrosine, L-cysteine, and L-tryptophane were found to increase with increasing ethanol content in contrast those of L-lysine and L-histidine esters.     

La2分子结构与基态分子势能函数

用相对论有效原子实势，在密度泛函理论(DFT)和组态相关理论(QCISD)水平上优化计算了La2分子的结构．根据原子分子反应静力学原理，导出La2分子可能的电子状态和离解极限，用DFT中的B3LYP方法计算了基态X1∑g^ 势能曲线，拟合得到Murrell-Sorbie解析势能函数，并首次计算得到基态X1∑g^ 的谐振频率、热力学性质、力学与光谱数据。     

矿井索车的优化设计

对矿井索车优化设计中的几个关键性问题进行了探讨，包括驱动轮和尾轮的设计、钢丝绳直径的选择计算、托绳轮间距的确定、绳卡的设计、张紧力和张紧行程的确定、互锁问题的解决等。     

网络环境下县（市）级公共图书馆的参考咨询服务

以常熟市图书馆为例，探讨了网络环境下县(市)级公共图书馆如何重新调整自身的服务策略、服务形式和服务手段，以及如何更好地开展参考咨询服务的问题。     

西文期刊回溯建库中几个重要项目的著录

在实践的基础上，从期刊的出版日期、出版周期、卷、期、年、月及其他标识、ISSN、增刊、出版者以及期刊的历史发展等方面对西文期刊机读目录的标准化著录问题进行了探讨。     

如何做好科技查新工作

对当前科技查新工作中存在的一些问题进行了深入探讨，并根据实际情况提出了相应的解决方法。     

基于Web的建构主义学习环境的研究与设计

建构主义学习环境设计是以学生为中心的教学设计 ,首先描述了建构主义的学习理论 ,讨论了学习环境的设计流程和基本结构 ,在此基础上 ,设计出基于We的建构主义学习环境 (WBCLE) ,然后详细介绍了WBCLE的总体结构。WBCLE能根据学习者的知识和特征 ,为学生选择适当的学习策略和方式。