李燦花;杜瑤;楊云漢;羅建萍;古捷;魯佳佳;楊麗娟;釧永明;
LI Can-hua;DU Yao;YANG Yun-han;LUO Jian-ping;Gu Jie;LU Jia-jia;YANG Li-juan;CHUAN Yong-ming;School of Chemistry and Environment, Yunnan Minzu University;Key Laboratory of Intelligent Supramolecular Chemistry in Universities of Yunnan Province, National and Local Joint Engineering Research Center for Green Preparation Technology of Bio-based Materials, Yunnan Minzu University;

• 1:云南民族大學化學與環境學院
• 2:云南民族大學生物基材料綠色制備技術國家地方聯合工程研究中心云南省高校智能超分子化學重點實驗室

摘要(Abstract)：

選用甲氧基柱[5]芳烴(DMP5A)作為主體,2-溴溴芐(G-1)、2,4′-二溴苯乙酮(G-2)為客體,構筑了2種主-客體絡合物.采用等摩爾連續變化法揭示了主體DMP5A與2種溴代小分子G-1和G-2之間均以1∶1形成絡合物;運用紫外光譜滴定進行線性擬合推算出了絡合常數;通過紅外光譜、一維及二維核磁共振氫譜驗證了絡合物的形成,分子對接模擬出的溴代小分子與DMP5A的絡合模式與實驗結果相一致.
Two host-guest complexes were constructed by using Dimethoxypillar[5]arene(DMP5 A) as the host, and 2-bromobenzyl bromide and 2, 4′-dibromoacetophenone as the guest. The equimolar continuous-change method revealed that the host-guest complexes formed by the bromides and DMP5 A was 1∶1. The complexation constant of two small brominated molecules and DMP5 A complex system was calculated by linear fitting of UV spectrometric titration. The IR, ~1H NMR and NOESY also showed that the host-guest complex had formed. Molecular docking revealed that the complexation mode of bromides and DMP5 A was consistent with the experimental results.

關鍵詞(KeyWords)： 甲氧基柱[5]芳烴;溴代小分子;絡合行為;分子對接
Dimethoxypillar[5]arene;bromides;complexation behavior;molecular docking

Abstract:

Keywords:

基金項目(Foundation): 國家自然科學基金(21562048,21762051);; 云南省高�？萍紕撔聢F隊支持計劃

作者(Author): 李燦花;杜瑤;楊云漢;羅建萍;古捷;魯佳佳;楊麗娟;釧永明;
LI Can-hua;DU Yao;YANG Yun-han;LUO Jian-ping;Gu Jie;LU Jia-jia;YANG Li-juan;CHUAN Yong-ming;School of Chemistry and Environment, Yunnan Minzu University;Key Laboratory of Intelligent Supramolecular Chemistry in Universities of Yunnan Province, National and Local Joint Engineering Research Center for Green Preparation Technology of Bio-based Materials, Yunnan Minzu University;

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DOI:

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