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    云南民族大學學報(自然科學版)

    2020, v.29;No.124(06) 549-553+613

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    甲氧基柱[5]芳烴與溴代小分子的主-客體絡合行為研究
    A study of the host-guest complexation behavior between the DMpillar[5]arene and bromides

    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;

    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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