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使用分子连接性指数对阳离子 Gemini 表面活性剂的临界胶束浓度进行建模

Modelling of the Critical Micelle Concentration of Cationic Gemini Surfactants Using Molecular Connectivity Indices.

作者信息

Mozrzymas Anna

机构信息

Department of Physics and Biophysics, Wrocław University of Environmental and Life Sciences, ul. Norwida 25, 50-375 Wrocław, Poland.

出版信息

J Solution Chem. 2013;42(11):2187-2199. doi: 10.1007/s10953-013-0095-6. Epub 2013 Nov 2.

DOI:10.1007/s10953-013-0095-6
PMID:24319301
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3843368/
Abstract

Modelling of the critical micelle concentrations () using the molecular connectivity indices was performed for a set of 21 cationic gemini surfactants with medium-length spacers. The obtained model contains only the second-order Kier and Hall molecular connectivity index. It is suggested that the index includes some information about flexibility. The obtained model was used to predict log  of other cationic gemini surfactants. The agreement between calculated and experimental values of log  for the gemini surfactants that were not used in the correlation is very good.

摘要

使用分子连接性指数对一组具有中等长度间隔基的21种阳离子双子表面活性剂的临界胶束浓度（）进行了建模。得到的模型仅包含二阶基尔和霍尔分子连接性指数。有人认为该指数包含了一些关于柔韧性的信息。所得到的模型用于预测其他阳离子双子表面活性剂的log 。未用于相关性分析的双子表面活性剂的log 的计算值与实验值之间的一致性非常好。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2516/3843368/0ccc89670f9e/10953_2013_95_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2516/3843368/1c6131dc92d1/10953_2013_95_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2516/3843368/46da65c1aa54/10953_2013_95_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2516/3843368/3b4954343511/10953_2013_95_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2516/3843368/c327fd8075b7/10953_2013_95_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2516/3843368/0ccc89670f9e/10953_2013_95_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2516/3843368/1c6131dc92d1/10953_2013_95_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2516/3843368/46da65c1aa54/10953_2013_95_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2516/3843368/3b4954343511/10953_2013_95_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2516/3843368/c327fd8075b7/10953_2013_95_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2516/3843368/0ccc89670f9e/10953_2013_95_Fig5_HTML.jpg

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本文引用的文献

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J Colloid Interface Sci. 2012 Jul 1;377(1):237-43. doi: 10.1016/j.jcis.2012.03.048. Epub 2012 Apr 5.
2
Surface properties, aggregation behavior and micellization thermodynamics of a class of gemini surfactants with ethyl ammonium headgroups.带有乙基铵头基的一类双子表面活性剂的表面性质、聚集行为和胶束化热力学。
J Colloid Interface Sci. 2012 Jul 1;377(1):222-30. doi: 10.1016/j.jcis.2012.03.044. Epub 2012 Mar 23.
3
Prediction of critical micelle concentration of nonionic surfactants by a quantitative structure - property relationship.
一种系统的方法：Gemini 型阳离子表面活性剂的分子动力学研究和参数化。
Int J Mol Sci. 2021 Oct 10;22(20):10939. doi: 10.3390/ijms222010939.
4
A QSAR Study Based on SVM for the Compound of Hydroxyl Benzoic Esters.基于支持向量机的羟基苯甲酸酯类化合物的定量构效关系研究
Bioinorg Chem Appl. 2017;2017:4914272. doi: 10.1155/2017/4914272. Epub 2017 Jul 3.
5
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Colloid Polym Sci. 2017;295(1):75-87. doi: 10.1007/s00396-016-3979-3. Epub 2016 Nov 17.
基于定量结构-性质关系预测非离子表面活性剂的临界胶束浓度
Comb Chem High Throughput Screen. 2010 Jan;13(1):39-44. doi: 10.2174/138620710790218195.
4
Micellization of dissymmetric cationic gemini surfactants and their interaction with dimyristoylphosphatidylcholine vesicles.不对称阳离子双子表面活性剂的胶束化及其与二肉豆蔻酰磷脂酰胆碱囊泡的相互作用。
Langmuir. 2007 Nov 6;23(23):11458-64. doi: 10.1021/la701493s. Epub 2007 Oct 5.
5
Thermodynamic and aggregation properties of aza- and imino-substituted gemini surfactants designed for gene delivery.用于基因递送的氮杂和亚氨基取代双子表面活性剂的热力学及聚集性质
Phys Chem Chem Phys. 2007 Feb 21;9(7):871-7. doi: 10.1039/b613269c. Epub 2006 Dec 14.
6
Dimeric (gemini) surfactants: effect of the spacer group on the association behavior in aqueous solution.二聚体（双子）表面活性剂：间隔基团对其在水溶液中缔合行为的影响
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7
Gemini surfactants: new synthetic vectors for gene transfection.双子表面活性剂：用于基因转染的新型合成载体。
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Thermodynamic Studies of Aqueous m-s-m Gemini Surfactant Systems.
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9
Prediction of Critical Micelle Concentration Using a Quantitative Structure-Property Relationship Approach.使用定量结构-性质关系方法预测临界胶束浓度
J Colloid Interface Sci. 1997 Mar 1;187(1):113-20. doi: 10.1006/jcis.1996.4680.