用共结晶方法调节铣削诱导的药物晶体非晶化倾向

IF 3.2 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Sayantan Chattoraj,  and , Changquan Calvin Sun*, 
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引用次数: 0

摘要

非晶化是一种常见的相变,发生在应力密集的过程中,如铣削。本研究利用对羟基苯甲酸(SMT- hba)和苯甲酰胺(SMT- bnz)两种SMT共晶,研究了共晶对磺胺乙烷(SMT)在低温铣削过程中非晶化行为的影响。在较短的铣削时间(t <;30min),非晶态生成的等级顺序为SMT-BNZ >;SMT ^ SMT- hba。然而,经过2小时的低温铣削后,这个顺序转变为SMT-HBA >;SMT-BNZ祝辞SMT。SMT和SMT- bnz均表现出比SMT- hba更早的非晶化。SMT-HBA的延迟非晶化开始归因于其较高的晶格强度。根据Adam-Gibbs方程,使用构型熵和结构弛豫时间来评估,长时间铣削(长达2小时)的非晶化程度的等级顺序与生成的非晶相的物理稳定性一致。在SMT-HBA中,非晶化的缓慢开始和非晶相的缓慢结晶的结合解释了在整个铣削过程中非晶化程度的等级顺序的变化。了解应力诱导非晶化过程中晶格强度与非晶稳定性之间的相互作用,对通过共晶方式减轻某些药物的应力敏感性提供了有价值的指导。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Modulating Milling-Induced Amorphization Propensity of Drug Crystals by Cocrystallization

Modulating Milling-Induced Amorphization Propensity of Drug Crystals by Cocrystallization

Amorphization is a common phase transformation that occurs during stress-intensive processes, such as milling. This study aims to evaluate the impact of cocrystallization on the amorphization behavior of sulfamethazine (SMT) during cryo-milling using two SMT cocrystals: one with p-hydroxybenzoic acid (SMT-HBA) and the other with benzamide (SMT-BNZ). At short milling durations (t < 30 min), the rank order of amorphous generation was SMT-BNZ > SMT ≫ SMT-HBA. However, after 2 h of cryo-milling, this order shifted to SMT-HBA > SMT-BNZ > SMT. Both SMT and SMT-BNZ exhibited an earlier onset of amorphization than SMT-HBA. The delayed amorphization onset of SMT-HBA is attributed to its higher crystal lattice strength. The rank order of amorphization extent over longer milling (up to 2 h) aligns with the physical stability of the generated amorphous phase, as assessed using configurational entropy and structural relaxation times based on the Adam–Gibbs equation. The combination of a slow onset of amorphization and the slow crystallization of the generated amorphous phase in SMT-HBA explains the shift in the rank order of amorphization extent over the entire milling duration. Understanding the interplay between crystal lattice strength and amorphous stability in stress-induced amorphization offers valuable guidance for mitigating the stress sensitivity of certain drugs through cocrystallization.

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来源期刊
Crystal Growth & Design
Crystal Growth & Design 化学-材料科学:综合
CiteScore
6.30
自引率
10.50%
发文量
650
审稿时长
1.9 months
期刊介绍: The aim of Crystal Growth & Design is to stimulate crossfertilization of knowledge among scientists and engineers working in the fields of crystal growth, crystal engineering, and the industrial application of crystalline materials. Crystal Growth & Design publishes theoretical and experimental studies of the physical, chemical, and biological phenomena and processes related to the design, growth, and application of crystalline materials. Synergistic approaches originating from different disciplines and technologies and integrating the fields of crystal growth, crystal engineering, intermolecular interactions, and industrial application are encouraged.
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