• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利：CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法，用中文像聊天一样搜索，搜遍4000万医学文献。AI智能推荐，让科研检索更轻松。

立即免费搜索

文件翻译

保留排版，准确专业，支持PDF/Word/PPT等文件格式，支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述，25分钟生成高质量综述，智能提取关键信息，辅助科研写作。

立即免费体验

用于模拟阳离子（氯化物）双子表面活性剂临界胶束浓度的分子连接性指数

Molecular connectivity indices for modeling the critical micelle concentration of cationic (chloride) Gemini surfactants.

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

Colloid Polym Sci. 2017;295(1):75-87. doi: 10.1007/s00396-016-3979-3. Epub 2016 Nov 17.

DOI:10.1007/s00396-016-3979-3
PMID:28111493
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5209406/
Abstract

The molecular connectivity indices were used to derive the simple model relating the critical micelle concentration of cationic (chloride) gemini surfactants to their structure. One index was selected as the best to describe the effect of the structure of investigated compounds on critical micelle concentration consistent with the experimental results. This index encodes the information about molecular size, the branches, and also the information about heteroatoms. The selected model can be helpful in designing novel chloride gemini surfactants.

摘要

分子连接性指数被用于推导一个简单模型，该模型将阳离子（氯化物）双子表面活性剂的临界胶束浓度与其结构联系起来。选择了一个指数作为最佳指数，以描述所研究化合物的结构对临界胶束浓度的影响，这与实验结果一致。该指数编码了有关分子大小、支链以及杂原子的信息。所选择的模型有助于设计新型氯化物双子表面活性剂。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf67/5209406/8623f3488683/396_2016_3979_Fig10_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf67/5209406/bba2848bbd2a/396_2016_3979_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf67/5209406/bf79e26baa3c/396_2016_3979_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf67/5209406/4f9dbf48e901/396_2016_3979_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf67/5209406/1f3ea6080c0f/396_2016_3979_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf67/5209406/59b0c9b6afba/396_2016_3979_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf67/5209406/a6130579cc49/396_2016_3979_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf67/5209406/066e41bcf009/396_2016_3979_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf67/5209406/7bdeb643cbc7/396_2016_3979_Fig8_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf67/5209406/4c31d04d5e83/396_2016_3979_Fig9_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf67/5209406/8623f3488683/396_2016_3979_Fig10_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf67/5209406/bba2848bbd2a/396_2016_3979_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf67/5209406/bf79e26baa3c/396_2016_3979_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf67/5209406/4f9dbf48e901/396_2016_3979_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf67/5209406/1f3ea6080c0f/396_2016_3979_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf67/5209406/59b0c9b6afba/396_2016_3979_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf67/5209406/a6130579cc49/396_2016_3979_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf67/5209406/066e41bcf009/396_2016_3979_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf67/5209406/7bdeb643cbc7/396_2016_3979_Fig8_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf67/5209406/4c31d04d5e83/396_2016_3979_Fig9_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf67/5209406/8623f3488683/396_2016_3979_Fig10_HTML.jpg

相似文献

1
Molecular connectivity indices for modeling the critical micelle concentration of cationic (chloride) Gemini surfactants.用于模拟阳离子（氯化物）双子表面活性剂临界胶束浓度的分子连接性指数
Colloid Polym Sci. 2017;295(1):75-87. doi: 10.1007/s00396-016-3979-3. Epub 2016 Nov 17.
2
Modelling of the Critical Micelle Concentration of Cationic Gemini Surfactants Using Molecular Connectivity Indices.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
J Solution Chem. 2013;42(11):2187-2199. doi: 10.1007/s10953-013-0095-6. Epub 2013 Nov 2.
3
On the Spacer Group Effect on Critical Micelle Concentration of Cationic Gemini Surfactants Using Molecular Connectivity Indices.基于分子连接性指数研究间隔基团对阳离子双子表面活性剂临界胶束浓度的影响
Comb Chem High Throughput Screen. 2016;19(6):481-8. doi: 10.2174/1386207319666160504095717.
4
The Synthesis, Self-Assembled Structures, and Microbicidal Activity of Cationic Gemini Surfactants with Branched Tridecyl Chains.具有支化十三烷基链的阳离子双子表面活性剂的合成、自组装结构和杀菌活性。
Molecules. 2019 Nov 30;24(23):4380. doi: 10.3390/molecules24234380.
5
Designing the structure of cationic star-shaped trimeric surfactants most active in micelle formation using molecular connectivity indices.利用分子连接性指数设计在胶束形成中活性最高的阳离子星形三聚体表面活性剂的结构。
Sci Rep. 2024 Apr 9;14(1):8323. doi: 10.1038/s41598-024-58854-6.
6
Studies of mixed micelle formation between cationic gemini and cationic conventional surfactants.阳离子双子表面活性剂与阳离子传统表面活性剂之间混合胶束形成的研究。
J Colloid Interface Sci. 2008 Dec 15;328(2):429-35. doi: 10.1016/j.jcis.2008.09.034. Epub 2008 Sep 18.
7
Thermodynamics of micellization for partially fluorinated cationic gemini surfactants and related single-chain surfactants in aqueous solution.水溶液中部分氟化阳离子双子表面活性剂及相关单链表面活性剂的胶束化热力学
J Colloid Interface Sci. 2005 Jul 1;287(1):333-7. doi: 10.1016/j.jcis.2005.01.108.
8
Solution properties and electrospinning of phosphonium gemini surfactants.鏻型双子表面活性剂的溶液性质及静电纺丝
Soft Matter. 2014 Jun 14;10(22):3970-7. doi: 10.1039/c4sm00271g. Epub 2014 Apr 14.
9
Surface tension and aggregation properties of novel cationic gemini surfactants with diethylammonium headgroups and a diamido spacer.带有二乙铵头基和二酰胺间隔基的新型阳离子双子表面活性剂的表面张力和聚集性能。
Langmuir. 2012 Aug 21;28(33):11979-87. doi: 10.1021/la3011212. Epub 2012 Aug 1.
10
Interplay of electrostatic and hydrophobic effects with binding of cationic gemini surfactants and a conjugated polyanion: experimental and molecular modeling studies.阳离子双子表面活性剂与共轭聚阴离子结合时静电和疏水作用的相互影响：实验与分子模拟研究
J Phys Chem B. 2007 May 3;111(17):4401-10. doi: 10.1021/jp070100s. Epub 2007 Apr 11.

引用本文的文献

1
Designing the structure of cationic star-shaped trimeric surfactants most active in micelle formation using molecular connectivity indices.利用分子连接性指数设计在胶束形成中活性最高的阳离子星形三聚体表面活性剂的结构。
Sci Rep. 2024 Apr 9;14(1):8323. doi: 10.1038/s41598-024-58854-6.

本文引用的文献

1
On the Spacer Group Effect on Critical Micelle Concentration of Cationic Gemini Surfactants Using Molecular Connectivity Indices.基于分子连接性指数研究间隔基团对阳离子双子表面活性剂临界胶束浓度的影响
Comb Chem High Throughput Screen. 2016;19(6):481-8. doi: 10.2174/1386207319666160504095717.
2
Modelling of the Critical Micelle Concentration of Cationic Gemini Surfactants Using Molecular Connectivity Indices.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
J Solution Chem. 2013;42(11):2187-2199. doi: 10.1007/s10953-013-0095-6. Epub 2013 Nov 2.
3
Mixed aggregate formation in gemini surfactant/1,2-dialkyl-sn-glycero-3-phosphoethanolamine systems.
双子表面活性剂/1,2-二烷基-sn-甘油-3-磷酸乙醇胺体系中的混合聚集物形成。
J Colloid Interface Sci. 2012 Jul 1;377(1):237-43. doi: 10.1016/j.jcis.2012.03.048. Epub 2012 Apr 5.
4
Aggregation behavior of gemini surfactants and their interaction with macromolecules in aqueous solution.双子表面活性剂的聚集行为及其在水溶液中与大分子的相互作用。
Phys Chem Chem Phys. 2011 Feb 14;13(6):1939-56. doi: 10.1039/c0cp01196g. Epub 2011 Jan 12.
5
Structural determination of paraffin boiling points.石蜡沸点的结构测定
J Am Chem Soc. 1947 Jan;69(1):17-20. doi: 10.1021/ja01193a005.
6
QSAR modeling of carcinogenic risk using discriminant analysis and topological molecular descriptors.使用判别分析和拓扑分子描述符对致癌风险进行定量构效关系建模。
Curr Drug Discov Technol. 2005 Jun;2(2):55-67. doi: 10.2174/1570163054064684.
7
Molecular connectivity methods for the characterization of surface energetics of liquids and polymers.
J Colloid Interface Sci. 2006 Apr 1;296(1):292-308. doi: 10.1016/j.jcis.2005.09.018. Epub 2005 Oct 14.
8
Gemini pyridinium surfactants: synthesis and conductometric study of a novel class of amphiphiles1.Gemini吡啶鎓表面活性剂：一类新型两亲分子的合成与电导研究1
J Org Chem. 2003 Oct 3;68(20):7651-60. doi: 10.1021/jo034602n.
9
Thermodynamic Studies of Aqueous m-s-m Gemini Surfactant Systems.
J Colloid Interface Sci. 2001 Mar 15;235(2):310-316. doi: 10.1006/jcis.2000.7348.