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通过X射线衍射研究机械诱导布洛芬-烟酰胺共晶形成的动力学

Kinetics of the mechanically induced ibuprofen-nicotinamide co-crystal formation by X-ray diffraction.

作者信息

Casali Lucia, Carta Maria, Michalchuk Adam A L, Delogu Francesco, Emmerling Franziska

机构信息

Federal Institute for Materials Research and Testing, Richard-Willstätter-Straße 11, 12489 Berlin, Germany.

Department of Mechanical, Chemical and Materials Engineering, University of Cagliari, via Marengo 2, 09123 Cagliari, Italy.

出版信息

Phys Chem Chem Phys. 2024 Aug 22;26(33):22041-22048. doi: 10.1039/d4cp01457j.

DOI:10.1039/d4cp01457j
PMID:39113537
Abstract

Mechanochemistry is drawing attention from the pharmaceutical industry given its potential for sustainable material synthesis and manufacture. Scaling mechanochemical processes to industrial level remains a challenge due to an incomplete understanding of their underlying mechanisms. We here show how time-resolved powder X-ray diffraction data, coupled with analytical kinetic modelling, provides a powerful approach to gain mechanistic insight into mechanochemical reactions. By using the ibuprofen-nicotinamide co-crystal mechanosynthesis as a benchmark system, we investigate the behaviour of the solids involved and identify the factors that promote the reaction. As mechanochemical mechanisms become increasingly clear, it promises to become a breakthrough in the industrial preparation of advanced pharmaceuticals.

摘要

机械化学因其在可持续材料合成与制造方面的潜力而受到制药行业的关注。由于对其潜在机制的理解不完整,将机械化学过程扩大到工业规模仍然是一个挑战。我们在此展示了时间分辨粉末X射线衍射数据与分析动力学建模相结合,如何为深入了解机械化学反应机制提供了一种强大的方法。通过使用布洛芬-烟酰胺共晶体的机械合成作为基准系统,我们研究了所涉及固体的行为,并确定了促进反应的因素。随着机械化学机制越来越清晰,它有望在先进药物的工业制备中取得突破。

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