文献类型：期刊文献

英文题名：Host-guest interactions in tetramethyl-cucurbit[6]uril with anti-tuberculosis drug isoniazid

作者：Gao, Zhong-Zheng Bai, Dong Xiao, Zhi-You Zhu, Qian-Jiang Xue, Sai-Feng Tao, Zhu Xiao, Xin

第一作者：Gao, Zhong-Zheng

通信作者：Xiao, X[1]

机构：[1]Guizhou Univ, Key Lab Macrocycl & Supramol Chem Guizhou Prov, Guiyang 550025, Peoples R China;[2]Guizhou Inst Technol, Sch Chem Engn, Guiyang, Peoples R China

第一机构：Guizhou Univ, Key Lab Macrocycl & Supramol Chem Guizhou Prov, Guiyang 550025, Peoples R China

通信机构：corresponding author), Guizhou Univ, Key Lab Macrocycl & Supramol Chem Guizhou Prov, Guiyang 550025, Peoples R China.

年份：2016

卷号：71

起止页码：68-72

外文期刊名：INORGANIC CHEMISTRY COMMUNICATIONS

收录：;Scopus(收录号：2-s2.0-84978264558);WOS:【SCI-EXPANDED(收录号:WOS:000381835700016)】；

基金：The authors thank the National Natural Science Foundation of China (NSFC, no. 21561007), the Science and Technology Fund of Guizhou Province (No. 2013-2263), and the Scientific Research Foundation of Guizhou University (Grant no. 2015-62) for financial support.

语种：英文

外文关键词：Cucurbit[u]uril; Binding interaction; X-ray crystallography; Isoniazid; Hydrogen-bonding interaction

摘要：A novel supramolecular host-guest complex of anti-tuberculosis drug isoniazid (INH) with symmetrical alpha,alpha',beta,beta'-tetramethyl-cucurbit[6]uril (TMeQ[6]) has been investigated using H-1 NMR spectroscopy methods, mass spectrometer and single-crystal X-ray diffraction analysis. The result revealed that the INH guest is located the portal of the TMeQ[6] host in both the solutions and the solid state. The driving forces for the association between the guest INH and the host TMeQ[6] are made by a balance between hydrogen bonding interactions and ion-dipole interactions. (C) 2016 Elsevier B.V. All rights reserved.