氨基酸分子构象稳定性与光电离解离动力学的氢键效应*

本文综述了氨基酸分子内氢键种类和数目对分子构象稳定性和光电离解离动力学的各种效应：得出分子内含有N···H–O和C=O···H–O氢键的构象具有较高的热力学稳定性; N···H–O氢键导致分子第一电离能数值的增加,同时可以导致电离过程中的质子转移以及后续二氧化碳释放的解离过程。氨基酸分子正离子的稳定性或碳碳化学键断裂解离动力学也不尽相同,丝氨酸分子在电离阈值附近解离过程中表现出奇特的立体效应。     

小比距离密闭空腔爆炸爆后气体温度和压力测量技术研究

为实现空腔爆炸温度、压力变化趋势的准确测量,基于铠装K型热电偶和压力变送器,建立密闭空腔爆后气体温度、压力测量系统。设计密封隔热防护装置,将传感器的敏感端与信号调理模块分别安装在两个密封腔内,有效提高了传感器在大当量爆炸冲击条件下的存活率。在0.86m/kg^1/3比距离密闭空腔大当量爆炸条件下,对传感器及防护装置的性能进行考核验证,爆后测量采集到了有效的气体温度及压力变化历程,且传感器状态能够最终恢复至正常状态。测试结果表明,使用密封隔热安装的K型热电偶和压力变送器可以满足小比距离密闭空腔爆后气体静态温度、压力测量需求。     

P2O5/SiO2 as an Efficient Reagent for the Preparation of Z -Aldoximes Under Solvent-Free Conditions

Abstract

A facile and efficient method for the preparation of Z-aldoximes is improved by means of P₂O₅/SiO₂ reagent in solvent-free media. Advantages of this method are the use of inexpensive and selective reagent, with high yields in simple operation, and short reaction time under solvent-free conditions.     

CoMFA Analysis of Biodegradability

Abstract

CoMFA (comparative molecular field analysis) has been used to correlate the biodegradability of several classes of compounds. The technique uses an atomic probe to detect the steric and electrostatic fields around a molecule. Good cross-validated correlations were obtained for some series (alcohols, carboxylic acids and linear alkyl benzene sulphonates). Correlations were weaker for esters and benzene sulphonates, and were non-existent for phenols. These results may reflect the unreliability of biodegradation data, but may also be a result of molecular misalignment in the CoMFA procedure. CoMFA appears to be a potentially very useful method for the prediction of biodegradability.     

高超声速飞行器热防护材料与结构的研究进展

高超声速飞行器是航空航天的一个重要发展方向,在未来国防安全中起着重要作用．高超声速飞行器热防护材料与结构是高超声速飞行器设计与制造的关键技术之一,它关系到飞行器的安全．高超声速飞行器热防护材料与结构主要有金属TPS热防护系统、超高温陶瓷、C/C复合材料等．从材料制备、抗氧化、力学与物理性能表征等方面综述了热防护材料与结构的研究与应用现状,评述了其发展趋势．     

复杂阴极保护体系三维有限元建模研究

滨海电厂常以天然海水作冷却水,其碳钢水室和钛管凝汽器在实施阴极保护过程中,要求钢电位应低于-0.85V(vs.SCE),电位过正则碳钢保护不足,而钛的电位则须高于-0.75V(vs.SCE),电位过负则易使钛管发生氢脆损伤.研究牺牲阳极阴极保护,需先得出两种金属在阴极保护过程中的电位分布.本文在设计室建立碳钢水室钛管模型,根据该实验体系阴极保护过程的(稳态极化和恒电流极化)测定获得两种金属有效的边界条件,用有限元(FEM)计算在一个牺牲阳极阴极保护状态得到三维电位分布.计算结果和测量结果基本一致,为优化阴极保护设计提供了理论依据.     

高磁场大分离间隙的高温和低温超导磁体失超特性分析

本文使用失超分析软件Opera3D对低温和高温超导磁体进行失超分析.这个超导磁体具有两个相互垂直的室温孔,磁体的中心磁场为8～10T.为了合理保护超导磁体,通过变换加热器不同的加热功率密度和加热时间,改变保护电路参数等设置,分析各不同方案计算结果的区别,总结规律,为满足工程需求提出更优的失超保护方案.     

C-13 and H-1 NMR Study of Alkyl and Aryl-Substituted 1-(4′-Dimethylaminobenzylideneamino)pyridinium Perchlorates

C-13 and H-1 NMR spectra of some 1-(4′-dimethylaminobenzylideneamino)pyridinium perchlorates show that the angle of twist of the pyridine ring in unsubstituted, 1, and 2-alkyl substituted compounds 2–5 is comparable. However, it is considerably increased in 2,6-dialkyl derivatives. As seen from the spectral data, pyridine and phenyl rings in 2,6-diphenyl derivative 15 are not coplanar. The effect of 4-alkyl substituent is of hyperconjugative chacter. In general, the amount of the positive charge at C-4 in 2,6-dialkyl substituted salts is higher as compared to 2-monosubstituted compounds.     

Fabrication of extreme wettability patterns with water-film protection for organic liquids

Selective fabrication of superhydrophilic (S-philic) region on a superhydrophobic (S-phobic) surface requires complex technology and high cost, which has limited applications of extreme wettability patterns. In this paper, a twice-chemical-etching approach without special modification is used to prepare the extreme wettability patterns. Superhydrophobicity and superhydrophilicity can be successfully achieved after twice chemical etching for 20 seconds. The obtained patterns can maintain their extreme wettability for at least 30 days. Functional platforms with single-S-philic and multi-S-philic regions are fabricated to manipulate water and various organic liquids with water-film protection in an air environment.     

对密立根油滴实验的测量方法改进

利用对密立根油滴实验的改进解出了实验操作过程中的各种问题,提高学生的实验兴趣和理论联系实际的能力.