• 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

2-甲基萘甲酸与α-和β-环糊精包合物的分子力学研究

Molecular Mechanics Study of the Inclusion Complexes of 2-Methyl Naphthoate with alpha- and beta-Cyclodextrins.

作者信息

Madrid JM, Pozuelo J, Mendicuti F, Mattice WL

机构信息

Departamento de Quimica Fisica, Universidad de Alcala, Madrid, Alcala de Henares, 28871, Spain

出版信息

J Colloid Interface Sci. 1997 Sep 1;193(1):112-20. doi: 10.1006/jcis.1997.5061.

DOI:10.1006/jcis.1997.5061
PMID:9299095
Abstract

Molecular mechanics calculations were employed to study the inclusion of 2-methyl naphthoate in alpha- and beta-cyclodextrin in vacuo and in the presence of water as a solvent. The driving forces for complexation are dominated by nonbonded van der Waals host:guest interactions in both environments. The 2-methyl naphthoate penetrates completely into the cavity of beta-cyclodextrin, but there is only partial penetration by the same molecule into the smaller cavity of alpha-cyclodextrin. Copyright 1997Academic Press

摘要

采用分子力学计算方法，研究了在真空以及存在水作为溶剂的条件下，2-甲基萘甲酸酯被α-和β-环糊精包合的情况。在这两种环境中，络合作用的驱动力主要由非键合的范德华主客体相互作用主导。2-甲基萘甲酸酯能完全穿透进入β-环糊精的空腔，但同一分子在α-环糊精较小的空腔中只有部分穿透。版权所有1997学术出版社

相似文献

1
Molecular Mechanics Study of the Inclusion Complexes of 2-Methyl Naphthoate with alpha- and beta-Cyclodextrins.2-甲基萘甲酸与α-和β-环糊精包合物的分子力学研究
J Colloid Interface Sci. 1997 Sep 1;193(1):112-20. doi: 10.1006/jcis.1997.5061.
2
Combination of 2D-, 3D-connectivity and quantum chemical descriptors in QSPR. Complexation of alpha- and beta-cyclodextrin with benzene derivatives.定量构效关系中二维、三维连通性与量子化学描述符的结合。α-和β-环糊精与苯衍生物的络合作用。
J Chem Inf Comput Sci. 2001 Nov-Dec;41(6):1561-8. doi: 10.1021/ci0100402.
3
Chiral recognition of helical metal complexes by modified cyclodextrins.修饰环糊精对螺旋金属配合物的手性识别
J Am Chem Soc. 2001 Oct 31;123(43):10616-27. doi: 10.1021/ja0112644.
4
Binding of dimethyl 2,3-naphthalenedicarboxylate with alpha-, beta- and gamma-cyclodextrins in aqueous solution.2,3-萘二甲酸二甲酯在水溶液中与α-、β-和γ-环糊精的结合
Spectrochim Acta A Mol Biomol Spectrosc. 2007 Jun;67(2):420-9. doi: 10.1016/j.saa.2006.07.039. Epub 2006 Aug 5.
5
Heat-capacity changes in host-guest complexation by Coulomb interactions in aqueous solution.水溶液中通过库仑相互作用形成主客体络合物时的热容量变化。
Chem Asian J. 2007 Oct 1;2(10):1305-13. doi: 10.1002/asia.200700142.
6
Structure selective complexation of cyclodextrins with five polyphenols investigated by capillary electrokinetic chromatography.环糊精与五种多酚的结构选择性络合通过毛细管电泳色谱法研究。
J Sep Sci. 2012 Dec;35(23):3347-53. doi: 10.1002/jssc.201200528.
7
Thermodynamics of inclusion complexes of natural and modified cyclodextrins with propranolol in aqueous solution at 298 K.298K时天然及改性环糊精与普萘洛尔在水溶液中包合物的热力学
Bioorg Med Chem. 2006 Jun 1;14(11):3883-7. doi: 10.1016/j.bmc.2006.01.052. Epub 2006 Feb 9.
8
A molecular modelling study of the interaction between beta-cyclodextrin and the organophosphorothioate pesticide parathion.β-环糊精与有机磷硫代磷酸酯农药对硫磷相互作用的分子模拟研究
Glycoconj J. 1998 Mar;15(3):293-6. doi: 10.1023/a:1006953230364.
9
Theoretical Study of the β-Cyclodextrin Inclusion Complex Formation of Eugenol in Water.β-环糊精包合 Eugenol 在水中形成的理论研究。
Molecules. 2018 Apr 17;23(4):928. doi: 10.3390/molecules23040928.
10
Molecular recognition in cyclodextrin complexes of amino acid derivatives. 1. Crystallographic studies of beta-cyclodextrin complexes with N-acetyl-L-phenylalanine methyl ester and N-acetyl-L-phenylalanine amide pseudopeptides.氨基酸衍生物环糊精配合物中的分子识别。1. β-环糊精与N-乙酰-L-苯丙氨酸甲酯和N-乙酰-L-苯丙氨酸酰胺假肽配合物的晶体学研究。
J Am Chem Soc. 2001 Oct 10;123(40):9880-8. doi: 10.1021/ja003717v.

引用本文的文献

1
Fluorescence, induced circular dichroism and molecular mechanics of 1-methyl naphthalenecarboxylate complexes with 2-hydroxypropyl cyclodextrins.1-甲基萘甲酸酯与2-羟丙基环糊精配合物的荧光、诱导圆二色性和分子力学
J Fluoresc. 2009 May;19(3):449-62. doi: 10.1007/s10895-008-0432-0. Epub 2008 Dec 7.
2
Complexation of dimethyl 2,3-naphthalenedicarboxylate with 2-hydroxypropyl-alpha-, -beta- and -gamma-cyclodextrins in aqueous solution by fluorescence, circular dichroism and molecular mechanics.通过荧光、圆二色性和分子力学研究2,3-萘二甲酸二甲酯与2-羟丙基-α-、-β-和-γ-环糊精在水溶液中的络合作用。
J Fluoresc. 2008 Nov;18(6):1103-14. doi: 10.1007/s10895-008-0360-z. Epub 2008 Jun 4.