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二苯甲酮一种低密度多晶型物的意外高压稳定域。

An unexpected high-pressure stability domain for a lower density polymorph of benzophenone.

作者信息

Rietveld I B, Barrio M, Ceolin R, Tamarit J Ll

机构信息

SMS Laboratory (UR 3233, Université Rouen-Normandie, Place Émile Blondel, 76821, Mont Saint Aignan, France.

Faculté de Pharmacie, Université Paris Cité, 4 Avenue de l'observatoire, 75006, Paris, France.

出版信息

Sci Rep. 2023 Jul 24;13(1):11914. doi: 10.1038/s41598-023-38985-y.

DOI:10.1038/s41598-023-38985-y
PMID:37488270
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10366203/
Abstract

For over a century, it was thought that the crystalline polymorph II of benzophenone does not possess a stable domain in the pressure-temperature phase diagram. With a combination of new experimental results and literature data, this case of crystalline dimorphism has finally been solved and it is shown that form II possesses a stable domain at high pressure and high temperature, even though its density is lower than that of form I, the stable form under ordinary pressure and temperature conditions. The phase diagram of benzophenone is a clear demonstration of the fact that to understand the phase behaviour of a chemical substance both the exchange of heat (due to the change in intermolecular interactions) and work (due to the change of volume at a given pressure) need to be taken into account.

摘要

一个多世纪以来,人们一直认为二苯甲酮的晶型多晶型物II在压力-温度相图中不存在稳定区域。结合新的实验结果和文献数据,这一晶体多晶型现象终于得到解决,结果表明,尽管晶型II的密度低于在常压和常温条件下的稳定晶型I,但它在高压和高温下具有稳定区域。二苯甲酮的相图清楚地表明,要理解一种化学物质的相行为,需要同时考虑热交换(由于分子间相互作用的变化)和功(由于在给定压力下体积的变化)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8233/10366203/fa833b585476/41598_2023_38985_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8233/10366203/20ab1c7f7e0f/41598_2023_38985_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8233/10366203/fae3ef5884b5/41598_2023_38985_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8233/10366203/fa833b585476/41598_2023_38985_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8233/10366203/20ab1c7f7e0f/41598_2023_38985_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8233/10366203/fae3ef5884b5/41598_2023_38985_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8233/10366203/fa833b585476/41598_2023_38985_Fig3_HTML.jpg

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本文引用的文献

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High-pressure Nucleation of Low-Density Polymorphs*.低密度多晶型物的高压成核*
Chemistry. 2021 Apr 26;27(24):7069-7073. doi: 10.1002/chem.202005121. Epub 2021 Mar 4.
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Experimental and topological determination of the pressure-temperature phase diagram of racemic etifoxine, a pharmaceutical ingredient with anxiolytic properties.
对具有抗焦虑特性的药物成分消旋依托啡的压力-温度相图的实验和拓扑测定。
Int J Pharm. 2019 Dec 15;572:118812. doi: 10.1016/j.ijpharm.2019.118812. Epub 2019 Nov 9.
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How many ritonavir cases are there still out there?外面还有多少例利托那韦病例?
Faraday Discuss. 2018 Oct 26;211(0):441-458. doi: 10.1039/c8fd00069g.
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The Pressure-Temperature Phase Diagram of Metacetamol and Its Comparison to the Phase Diagram of Paracetamol.间乙酰氨基酚的压力-温度相图及其与对乙酰氨基酚相图的比较。
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6
X-ray crystallography, an essential tool for the determination of thermodynamic relationships between crystalline polymorphs.X射线晶体学是确定晶体多晶型物之间热力学关系的重要工具。
Ann Pharm Fr. 2016 Jan;74(1):12-20. doi: 10.1016/j.pharma.2015.10.004. Epub 2015 Nov 19.
7
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Ann Pharm Fr. 2015 Jan;73(1):22-30. doi: 10.1016/j.pharma.2014.09.003. Epub 2014 Oct 23.
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9
"Higher density does not mean higher stability" mystery of paracetamol finally unraveled.“更高的密度并不意味着更高的稳定性”之谜终于被揭开。
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