脂肪胺结构与密度和折光指数关系的探讨

本文用拓扑方法探讨了脂肪胺的密度和折光指数与其分子结构之间的关系。提出一个既适用于密度又适用于折光指数的定量关系。应用这一定量关系, 不仅能够描述脂肪胺密度和折光指数的变化规律。预测脂肪胺的密度和折光指数,而且能够合理表征物质结构与性能之间的关系。     

极化效应指数与脂肪族胺、醇和醚气相碱性的关系

脂肪族胺、醇和醚的气相质子亲合能(PA)与N, O原子所带电荷(qx)以及烷基的极化效应指数(PEI)的关系可表示为其中a、b、c为系数。回归分析结果表明, 上式较好地表达了脂肪族胺、醇和醚的气相碱性变化规律。     

流动注射分光光度系统中基体的折射率梯度响应与其浓度之间的关系

本文系统研究了氯化钠溶液作为样品基体时在流动注射分光光度系统中的折射率梯度响应现象，揭示了基体分别在低浓度和高浓度时，其折射率梯度响应曲线随浓度的变化规律，初步探讨了响应机理。本文得出的结论有助于全面了解当样品中的基体在不同浓度时，基体的折射率梯度响应对样品分光光度测定的干扰情况。     

分子连接性指数与薄层色谱保留值的相关性研究

把分子连接性指数法应用到１０种氨基酸、１１种硫醚、６种硫醇和２０种醛、酮的２,４－二硝基苯腙薄层色谱保留值的相关性研究中。结果表明,相关系数均达优良级,标准偏差均在实验误差内。从而说明分子连接性指数法用在预测色谱保留值方面的广泛性和可靠性。     

Effects of solute-matrix interaction on monitoring the conformational changes of immobilized proteins by surface plasmon resonance sensor

A real-time and labeling-free surface plasmon resonance (SPR) sensor was used to monitor the conformational changes of immobilized globule proteins (RNase A and lysozyme) in chemical unfolding and refolding. The effects of chemical denaturants on the protein structures were investigated. The methodology in protein conformational study on the solid surface is refined through the theoretic calculations and the conformational information of native/denatured proteins in solution. Additionally, our observation illustrates that the ambient buffer solution is merit to influence the refractive index of immobilized protein films and directly be observed from the SPR resonance angle shifts.     

氰乙基纤维素溶致性液晶的研究

氰乙基纤维素在二甲基甲酰胺、二甲基乙酰胺、二甲基亚砜、乙腈以及丙酮等溶剂中可以形成溶致性液晶。随浓度增加,溶液从各向同性状态经两相共存态转变成为完全的液晶态。升高温度到T_c,液晶相消失;降低温度到T′_c,液晶相再生成。T_c总大于T′_c。而且,浓度越高,过冷温度△T=T_c—T′_c越小。在各向同性,两相共存或完全的液晶状态,溶液平均折射率和消光度均与浓度呈线性关系。但在两相间相互转变时,即在C_1~*和C_2~*处,n-C和 A-C 曲线上出现转折点。高聚物与溶剂的相互作用参数X_(12)愈小,临界浓度C_1~*愈小。把描述大分子链柔顺性的参数f与X_(12)联系起来,可用 1956年 Flory的理论定性地解释溶剂对高聚物溶致性液晶形成的影响。     

An Easy Synthesis of Monofluorinated Derivatives of Pyrroles from β-Fluoro-β-Nitrostyrenes

The catalyst-free conjugate addition of pyrroles to β-Fluoro-β-nitrostyrenes was investigated. The reaction was found to proceed under solvent-free conditions to form 2-(2-Fluoro-2-nitro-1-arylethyl)-1H-pyrroles. The effectiveness of this approach was demonstrated through the preparation of a series of the target products in a quantitative yield. The kinetics of a conjugate addition of pyrrole was studied in detail to reveal the substituent effect and activation parameters of the reaction. The subsequent base-induced elimination of nitrous acid afforded a series of novel 2-(2-Fluoro-1-arylvinyl)-1H-pyrroles prepared in up to an 85% isolated yield. The two-step sequence herein proposed is an indispensable alternative to a direct reaction with elusive and unstable 1-Fluoroacetylenes.     

一种复合载体丙烯聚合催化剂的研究

采用SiO2-MgCl2复合载体制备了一种丙烯聚合催化剂,考察了SiO2活化条件、SiO2和MgCl2质量比和催化剂的不同制备工艺对催化剂性能的影响,通过对催化剂的氢调和聚合时间的试验,发现该催化剂用于催化丙烯聚合时,无需加入外给电子化合物就可以使树脂达到较高的等规指数。     

Tunable negative index metamaterial employing in-plane switching mode at terahertz frequencies

We analysed the response of a tunable liquid crystal metamaterial transducer in the terahertz frequency range. Tunability of scattering parameters is achieving by an in-plane switching (IPS) effect. The metamaterial structure is based on Ω-shape resonators. A full-wave analysis technique based on the finite-difference time-domain (FDTD) method was performed using the QuickWave 3D electromagnetic solver. Terahertz transmission properties of the metamaterial structure can be controlled by the director of the liquid crystal layer. The effective refractive index for operation frequency varies from negative to positive values. A novel approach to switching of metamaterial transducer by IPS mode is presented.     

Peptide Property Modeling by Cluj Indices

Abstract

The novel Cluj property indices are used for modeling the biological properties of dipeptides: the ACE inhibition activity of a set of 58 dipeptides and the bitter tasting activity of a set of 48 dipeptides, taken from the literature. The results are compared to those reported in some previous works.