分子设计

钨青铜（TB）型晶体材料的分子设计及其新进展

Molecule Design of Tungsten Bronze ( TB ) Crystal Materials and Its New Developments

AB嵌段型均匀剂的分子设计与合成

Molecule Design and Synthesis of AB Block Homogenizing Agent

用于吸收CO2的功能化离子液体的分子设计研究

Molecular Design of Functional Ionic Liquids for Absorbing CO_2

本文主要综述了国内外SiC陶瓷纤维高聚物先驱体分子设计方面的研究动态及最近的发展趋势。

This article reviews the recent develpment of molecule structure design of polymer precursors .

介绍了高密度聚乙烯（HDPE）/聚碳酸酯（PC）共混体系的增容剂的分子设计与合成技术。

Molecular design and synthesis of compatibilizer for HDPE / PC blend are introduced .

IgE表位分析及其拮抗剂的分子设计研究进展

Determination of IgE functional epitope and molecular design of IgE antagonist : research advance

研究了钨青铜（TB）型铌酸盐晶体分子设计及其掺杂的原理。

Principles of the molecular design and doping of tungsten bronze ( TB ) niobate crystals are studied in this paper .

QSAR及其在新型农药分子设计中的应用

QSAR and Its Application in Molecular Design of Novel Pesticides

新推拉型电光聚合物中间体的二阶NLO性质的分子设计研究

Molecular device of new pull-push electro-optical polymer intermediates with second-order NLO properties

NEPE推进剂用中性聚合物键合剂的分子设计

Molecular Design of Neutral Polymeric Bonding Agent for NEPE Propellants

本文综述了PPV类电致发光聚合物在分子设计与合成方面的研究进展。

This paper summarizes the development of PPV and its derivatives in molecular design and synthesis .

本课题尝试应用计算机辅助药物分子设计方法为寻找新型的选择性5-HT再摄取抑制剂提供指导。

In order to search for new selective inhibitors of the 5-HT , the computer-aided drug design ( CADD ) technology was applied .

人C5a反义肽的分子设计及其功能研究

Molecular Design of Antisense Peptides for Human C5a Anaphylatoxin and Study on Its Functions

近年来，电致发光聚合物的分子设计、合成及聚合物发光机理和EL器件的研究成为最具有活力的研究领域。

The design and synthesis of electroluminescent polymers , luminescence mechanism and the study of EL devices have been becoming the most active research field in recent years .

根据混凝土外加剂分子设计理论，试验采用了自制丙烯酸聚乙二醇单酯、丙烯酸钠盐和二乙烯三胺通过Michael加成制得一种新型羧酸盐高效减水剂。

Based on the molecular design theory of concrete admixture , a new type of carboxylate superplasticizer was prepared by means of Michael addition with self-made polyethylene glycol aery-late , sodium acrylate and diethylenetriamine .

RAFT活性聚合方法具有广泛的适用单体，卓越的分子设计能力以及与其他方法极强的适应性，是制备功能聚合物的强有力工具。

RAFT living polymerization technology is a powerful tool to produce functional polymers and it has wide applicable monomers , remarkable molecular design ability and strong compatibility with other methods .

抗癌性吲哚喹唑啉衍生物3D-QSAR研究及其分子设计

3D-QSAR Study of a Series of Indolo [ 1,2-b ] quinazoline Derivatives with Antitumor Activity and their Molecular Design

结合最新的研究成果，介绍了ATRP在进行聚合物分子设计尤其是在制备嵌段共聚物方面的进展。

The recent application of ATRP in the design and preparation of tailor-made polymers , particular block copolymers , was introduced .

核酸切割试剂与寡聚核苷酸（ODN）偶联制得的人工核酸酶能在特定位点断裂DNA或RNA，为人工核酸酶的分子设计提供了一种新方法。

The artificial enzymes , which are prepared by cleavage reagents of nucleic acid conjugated to a synthetic oligodeoxyribonucleotide , can selectively cleave DNA or RNA . It provides a new method of the molecular design of artificial nuclease .

通过DSC和IR证实了核壳之间的化学连接。这种通过嫁接的方法制备橡胶理想填料的思路，实现了对纳米微球的分子设计，达到了可控的目的，合成路线在国内外尚未报道。

DSC and IR of these microspheres which were processed by extraction experiments confirmed the chemical connection between shell and core . The method which was preparation of rubber ideal filler by grafting onto achieved the goal of control by designing molecular .

并根据设计原则和研究进展提出，降低先驱体中杂元素含量，提高陶瓷产率并兼顾可纺性、稳定性要求是SiC陶瓷纤维先驱体分子设计的方向；

The direction of SiC ceramic fibers precursor molecular design was brought forward on the basis of design principle and research progress . That is how to reduce the mixed elements content of precursor , improving its stabilization , spinnability and increasing the ceramic yield .

结果表明，所合成的枝臂液晶化合物都符合分子设计，具有很好的热性能，但由于枝臂的存在，使得它们的熔点（Tm）、清亮点（Ti）没有呈现出规律性。

The results showed that all branch-armed liquid crystals were in line with the molecular designs . They had good thermal properties . Because of the existence of branch arms , their melting points ( Tm ) and clearing points ( Ti ) did not show regularity .

利用基团贡献法可预测化合物的性质，还能用于化合物的计算机辅助分子设计（CAMD）。

Group contribution method can be used not only to estimate the properties of compounds , but also in computer-aided molecular design ( CAMD ) .

本论文从分子设计的三要素&组成、形态和功能性出发，利用原子转移自由基聚合（ATRP）和点击化学，成功合成了一系列组成不同、形态各异，且具有不同敏感性的聚合物。

Based on the composition , morphology and function , this dissertation successfully synthesized a series of stimuli-responsive macromolecules by using atom transfer radical polymerization ( ATRP ) or click chemistry .

以酪氨酸激酶ABL为靶点的分子设计已经促使了Imatinib、Dasatinib等药物的成功上市，但临床耐药性一直存在。

ABL tyrosine kinase as a target for the molecular design has successfully led to the launch of such drug as Imatinib , Dasatinib , etc , but there has been clinical drug resistance .

在此基础上提出了拓宽SCLCP研究领域的分子设计新思路与新方法，并预测了功能性SCLCP的应用前景。

Based on this , new route of SCLCP 'S molecular design were discussed in order to broaden the research fields .

萃取剂选择的计算机辅助分子设计（CAMD）是基于性质估算的方法即通过CAMD来生成一组具有期望性质的分子，然后再对候选分子进行筛选。

Computer-aided molecular design ( CAMD ) is on the basis of property estimate method , generating a set of solvent molecular structures with desirable properties and screening the candidate molecules .

聚醚类海生毒素的构效关系与分子设计研究

Studies on Structure-Activity Relationship and Molecular Design of Polyether Marine Toxins

结合图论和基团贡献法进行分子设计

A Novel Molecular Design Strategy Combining Group Contribution Methods with Graphics

DPE/PC共混体系的增容剂分子设计与合成

Molecular Design and Synthesis of Compatibilizer for HDPE / PC Blends