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首页> 外文期刊>Acta Crystallographica, Section B. Structural science, crystal engineering and materials >Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals
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Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals

机译：新型白藜芦醇烯库的晶体结构和物理化学性质的比较

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摘要

Resveratrol (RSV) is one of the most extensively investigated natural polyphenol with potential cardioprotective effects and various biological activities. However, the polymorphism and solvates of RSV cocrystals have not been studied comprehensively. In addition, the relationship between the crystal packing modes and their physicochemical properties of RSV cocrystals remains poorly understood. In this paper, seven novel RSV cocrystals were prepared and characterized by powder X-ray diffraction, single-crystal X-ray diffraction, thermogravimetric analysis, differential scanning calorimetry, dynamic vapor sorption, Raman and Fourier transform infrared spectroscopy. Five RSV-4,40-vinylenedipyridine (DPE) cocrystals were synthesized with polymorphs and solvates, such as RSV-DPE (1:2) in form (I) [RSV-2DPE form (I)], RSV-DPE (1:2) in form (II) [RSV-2DPE form (II)], RSV-DPE (1:1) (RSV-DPE), RSV-DPE (2:3)·acetone (RSV-1.5DPE·0.5ACE), RSV-DPE (1:1.5)·MeOH (RSV-1.5DPE·MeOH). However, RSV-4,4'-ethylenedipyridine (BPE) and RSV-4,4'-azobispyridine (AZPY) cocrystals were prepared as their single crystal forms, that is, RSV-BPE (1:1.5) (RSV-1.5BPE) and RSV-AZPY (1:2) (RSV-2AZPY). RSV-2DPE form (II) can be transformed from RSV- 2DPE form (I) during the heating process from single crystal to single crystal. The physicochemical properties of RSV cocrystals are closely related to their crystal packing modes. Also, the conformation and molecular packing of RSV among different cocrystals is flexible. The solubility of RSV-1.5BPE and RSV- 2DPE form (II) exhibit higher than RSV in the buffer solution of pH 4.6 and 2.0, respectively. This study may provide a valuable insight into the crystal packing modes of cocrystals which may affect their physicochemical properties.
机译：白藜芦醇（RSV）是具有潜在心脏保护作用和各种生物活性的最广泛研究的天然多酚之一。然而，尚未全面研究RSV Cocrystals的多态性和溶剂化物。此外，RSV Cocrystals的晶体包装模式与其物理化学性质之间的关系仍然难以理解。本文通过粉末X射线衍射，单晶X射线衍射，热重分析，差示扫描量热法，动态蒸汽吸附，拉曼和傅立叶变换红外光谱法，制备七种新型RSV Cocrystals并表征。用多晶型物和溶剂化物合成5 rsV-4,40-乙烯基吡啶（DPE）烯库，例如RSV-DPE（1：2）（I）[RSV-2DPE形式（I）]，RSV-DPE（1： 2）以形式（II）[RSV-2DPE形式（II）]，RSV-DPE（1：1）（RSV-DPE），RSV-DPE（2：3）·丙酮（RSV-1.5dpe·0.5圈） ，RSV-DPE（1：1.5）·MeOH（RSV-1.5DPE·MeOH）。然而，制备RSV-4,4'-乙二纤维素（BPE）和RSV-4,4'-偶氮二吡啶（AZPY）酰基吡啶作为其单晶形式，即RSV-BPE（1：1.5）（RSV-1.5bpe ）和RSV-AZPY（1：2）（RSV-2AZPY）。在从单晶到单晶的加热过程中，RSV-2DPE形式（II）可以从RSV-2DPE形式（I）转换为单晶。 RSV Cocrystals的物理化学特性与其晶体包装模式密切相关。此外，不同的钴物质中RSV的构象和分子包装是柔性的。 RSV-1.5bpe和RSV-2dPE形式的溶解度分别在pH 4.6和2.0的缓冲溶液中表现出高于RSV。该研究可以提供对可以影响其物理化学性质的晶体包装模式的有价值的见解。

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  • 作者

    Bo Peng; Hongyan He; Meiqi Li; Jian-Rong Wang; Xuefeng Mei;

  • 作者单位

    Pharmaceutical Analytical and Solid-State Chemistry Research Center Shanghai Institute of Materia Medica Chinese Academy of Sciences 555 Zu Chong Zhi Road Zhangjiang High-Tech Park Shanghai 201203 People's Republic of China;

    Pharmaceutical Analytical and Solid-State Chemistry Research Center Shanghai Institute of Materia Medica Chinese Academy of Sciences 555 Zu Chong Zhi Road Zhangjiang High-Tech Park Shanghai 201203 People's Republic of China;

    Pharmaceutical Analytical and Solid-State Chemistry Research Center Shanghai Institute of Materia Medica Chinese Academy of Sciences 555 Zu Chong Zhi Road Zhangjiang High-Tech Park Shanghai 201203 People's Republic of China;

    Pharmaceutical Analytical and Solid-State Chemistry Research Center Shanghai Institute of Materia Medica Chinese Academy of Sciences 555 Zu Chong Zhi Road Zhangjiang High-Tech Park Shanghai 201203 People's Republic of China;

    Pharmaceutical Analytical and Solid-State Chemistry Research Center Shanghai Institute of Materia Medica Chinese Academy of Sciences 555 Zu Chong Zhi Road Zhangjiang High-Tech Park Shanghai 201203 People's Republic of China;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 晶体学;
  • 关键词

    resveratrol; cocrystals; polymorphism; solvates; conformation;

    机译：白藜芦醇;Cocrystals;多态性;溶剂化物;构象;

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