客户采用我司硅磁珠控制药物晶体的多态性筛选

Confined liquid crystallization governed by electric field for API crystal polymorphism screening and massive preparation

Zhijie Yuan, Lingfeng Wang, Mengyuan Wu, Yuchao Niu, Yingshuang Meng, Xuehua Ruan, Gaohong He, Xiaobin Jiang
State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Dalian University of Technology, Dalian, Liaoning 116024, China
Received 12 December 2023, Revised 22 January 2024, Accepted 29 February 2024, Available online 6 March 2024, Version of Record 8 March 2024.

Journal of Colloid and Interface Science
Volume 664, 15 June 2024, Pages 74-83
https://doi.org/10.1016/j.jcis.2024.02.215


Abstract
Active pharmaceutical ingredients (APIs) crystal preparation is a significant issue for the pharmaceutical development attributed to the effect on anti-inflammatory, anti-bacteria, and anti-viral, etc. While, the massive preparation of API crystal with high polymorphism selectivity is still a pendent challenge. Here, we firstly proposed a criterion according to the molecular aggregation, molecular orientation, and hydrogen bond energy between INA molecules from molecular dynamics (MD) simulations, which predicted the hydrogen bond architecture in crystal under different electric fields, hinting the recognition of crystal polymorphism. Then, an electric field governing confined liquid crystallization was constructed to achieve the INA crystal polymorphism screening relying on the criterion. Further, magnifying confined liquid volume by 5000 times from 1.0 μL to 5.0 mL realized the massive preparation of INA crystal with high polymorphic purity (>98.4%), giving a unique pathway for crystal engineering and pharmaceutical industry on the development of innovative and generic API based drugs.

活性药物成分（APIs）晶体制备是药物开发的一个重要问题，因为它具有抗炎、抗菌和抗病毒等作用。同时，大规模制备具有高多晶性选择性的API晶体仍然是一个悬而未决的挑战。本文首先根据分子动力学（MD）模拟的INA分子间的分子聚集、分子取向和氢键能提出了一个准则，预测了不同电场下晶体中的氢键结构，暗示了晶体多态性的识别。然后，构建了控制密闭液晶的电场，实现了基于该准则的INA晶体多态性筛选。此外，将密闭液体体积从1.0 μL放大到5.0 mL的5000倍，实现了高多晶型纯度（>98.4%）INA晶体的大量制备，为晶体工程和制药行业开发基于API的创新和仿制药药物提供了独特的途径。

更多二氧化硅磁珠 核酸DNA/RNA提取纯化磁珠 氨基修饰-生物磁珠专家 (purimagbead.com)