结晶:从分子到晶体结构

IF 2 2区 化学 Q2 CRYSTALLOGRAPHY
P. Bombicz
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The composition and stoichiometry of inclusion compounds are not neces-sarily invariant, they depend on the synthetic method, the solvent used, the temperature of crystallization, the pressure during the synthesis if it is performed in a sealed container, decomposi-tion ‘Crystallisation of organic materials from the solution phase: a molecular, synthonic and crystallographic perspective’ is a must read for everyone who has ever or will deal with crystallization of organic materials in theory or practice, in academia or industry. The article presents a holistic approach of crystallization based on the material science tetra-hedron concept attentive to the interdependent relationship between material structure, properties, performance and processing. First, we get familiar with the key factors related to the crystal structure: molecular structure, intermolecular interactions, synthon formation, polymorphism, lattice energy, crystal morphology and surface chemistry. 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引用次数: 0

摘要

文章以包合化合物领域的重要发现的时间轴开始,连同其他重要的相关事件,包括它们的参考文献。文章以会议列表结束,这些会议处理包含化合物的各个方面。这些历史概述已经启发,为什么一方面它是重要的学生和教授在他们的收藏这篇文章。另一方面,详细介绍了固体包裹体化合物的结构特征和物理化学性质,以及用于研究它们的互补分析技术。包合物的组成和化学计量不一定是不变的,它们取决于合成方法、所用的溶剂、结晶温度、合成过程中的压力(如果在密封容器中进行)、有机物从溶液阶段的分解结晶。《分子、合成和晶体学视角》是每一个曾经或将要在理论或实践中,在学术界或工业界处理有机材料结晶的人的必读书籍。本文提出了一种基于材料科学四面体概念的整体结晶方法,关注材料结构、性能、性能和加工之间的相互依存关系。首先,我们熟悉了与晶体结构相关的关键因素:分子结构、分子间相互作用、合子形成、多态性、晶格能、晶体形态和表面化学。然后描述了从成核到晶体生长的结晶过程,详细描述了溶解度、过饱和和溶质聚类的作用;其次是晶体生长过程的阶段和晶体/溶液界面的性质、晶体的生长机理和生长稳定性。最后一章致力于产品的设计,通过对化合物的结晶工艺设计选取实例,对结晶度和多晶形态、晶体尺寸和形貌、晶体纯度和团聚进行控制。该综述提供了有机材料结晶的知识路线图以及案例研究,证明了如何操纵结晶过程以产生具有目标物理化学性质的结晶材料。由b施普林格Nature Singapore于2019年出版。这本书涵盖了从不同植物中分离出来的各种化合物,用于治疗各种疾病,如炎症、糖尿病、疟疾、癌症、激素问题、心血管或肾脏疾病。它概述了具有良好生物活性的化合物基团,并详细介绍了对预期靶点的反应机制,可用于说明未来生物活性化合物的发展,特别是晶体学在药物设计中的作用。这本书讨论了化学结构,信息从隔离技术,通过纳米粒子的纳米技术,药理学。比较了传统的和最新的、更环保的提取方法,并展望了提取新的生物活性化合物的未来机会。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Crystallization: from molecules to crystal structures
The article starts with a timeline of important discoveries in the field of inclusion compounds, together with other significant related events including their references. The article finishes with the list of meetings, which deal with various aspects of inclusion compounds. These historical overviews already enlighten, why on the one hand it is important for students and professors to have this article in their collection. On the other hand, the review presents in detail the structural features and physicochemical properties of solid inclusion compounds and the complementary analytical techniques used for their investigation. The composition and stoichiometry of inclusion compounds are not neces-sarily invariant, they depend on the synthetic method, the solvent used, the temperature of crystallization, the pressure during the synthesis if it is performed in a sealed container, decomposi-tion ‘Crystallisation of organic materials from the solution phase: a molecular, synthonic and crystallographic perspective’ is a must read for everyone who has ever or will deal with crystallization of organic materials in theory or practice, in academia or industry. The article presents a holistic approach of crystallization based on the material science tetra-hedron concept attentive to the interdependent relationship between material structure, properties, performance and processing. First, we get familiar with the key factors related to the crystal structure: molecular structure, intermolecular interactions, synthon formation, polymorphism, lattice energy, crystal morphology and surface chemistry. Then the crystallization process is described from nucleation to crystal growth detailing the role of solubility, supersaturation and solute clastering; followed by stages of the crystal growth process and nature of the crystal/solution interface, the crystal growth mechanisms and growth stability. The last chapter is dedicated to the product design through the crystallization process design by selected examples of compounds, to the control of crystallinity and polymorphic form, crystal size and morphology, crystal purity and agglomeration. The review provides a knowledge route-map of crystallization of organic materials along with case studies proving how the crystallization process can be manipulated to produce crystalline materials with targeted physical–chemical properties. published by Springer Nature Singapore in 2019. The volume covers the wide variety of compounds isolated from different plants used in the treatment of various diseases like inflammation, diabetes, malaria, cancer, hormonal problems, cardiovascular or kidney diseases. It provides an overview of compound groups that have good bioactivity and details the reaction mechanism to the intended target and can be used as an illus-tration of the development of bioactive compounds in the future, and especially the role of crystallography in drug design. The book discusses chemical structures, information from isolation techniques, through nanotechnology of nanoparticles, to pharmacology. A comparison of conventional and the newest, more environmentally friendly extraction methods is presented, and there is an outlook to the future opportunities of extraction of new biologically active compounds.
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来源期刊
Crystallography Reviews
Crystallography Reviews CRYSTALLOGRAPHY-
CiteScore
3.70
自引率
0.00%
发文量
16
审稿时长
>12 weeks
期刊介绍: Crystallography Reviews publishes English language reviews on topics in crystallography and crystal growth, covering all theoretical and applied aspects of biological, chemical, industrial, mineralogical and physical crystallography. The intended readership is the crystallographic community at large, as well as scientists working in related fields of interest. It is hoped that the articles will be accessible to all these, and not just specialists in each topic. Full reviews are typically 20 to 80 journal pages long with hundreds of references and the journal also welcomes shorter topical, book, historical, evaluation, biographical, data and key issues reviews.
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