2,2,6,6-四甲基胡椒酰氧基纤维素纳米纤维凝胶对磺胺噻唑的结晶及生长控制

IF 1.7 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth Pub Date : 2025-02-06 DOI:10.1016/j.jcrysgro.2025.128093

Kang Han , Dandan Gong , Chengwei Du , Lijuan Zhang , Lu Wang , Jing Lian , Aniruddha Majumder , Jie Lu

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引用次数: 0

摘要

揭示了2,2,6,6-四甲基胡椒二氧基（TEMPO）纤维素纳米纤维（TCNF）对磺胺噻唑（STZ）晶体成核和生长的影响，有助于药物晶体形态的精确控制。为了阐明TCNF调控STZ晶体成核和生长的机制，进行了冷却结晶实验和分子模拟。首先，确定了STZ在纯水中的结晶形式。随后，进行了添加TCNF的结晶实验。实验旨在研究它们对晶体形态和晶体习性的影响。结果表明，由于TCNF表面的氢键相互作用，得到了纯净的Form III。分子模拟有助于更好地解释对特定晶面的影响。本研究表明，TCNF对STZ晶体特性的影响是通过与z轴晶面的相互作用介导的，从而导致块状晶体的形成。此外，较高浓度的TCNF形成局部封闭空间，导致迁移受阻，使得溶液中的STZ分子在STZ结晶缺陷处生长。

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Crystallization and growth control of sulfathiazole using 2,2,6,6-tetramethylpiperidinooxy cellulose nanofibers gel

The influence of 2,2,6,6-Tetramethylpiperidinooxy (TEMPO) cellulose nanofibers (TCNF) on the nucleation and growth of sulfathiazole (STZ) crystals is uncovered, aiding in the precise control of drug crystal morphology. To elucidate the mechanism by which TCNF regulates the nucleation and growth of STZ crystals, cooling crystallization experiments and molecular simulations were conducted. Initially, the crystal forms of STZ in pure water were determined. Subsequently, crystallization experiments with the addition of TCNF were conducted. The experiments aimed to investigate their effects on crystal form and crystal habits. The results revealed that a pure Form III was obtained due to the hydrogen bonding interactions on the surface of TCNF. Molecular simulations helped better explain the influence on specific crystal faces. This study indicates that the influence of TCNF on the characteristics of STZ crystals is mediated through interaction with the z-axis crystal facets, leading to the formation of block-shaped crystals. In addition, the higher concentration of TCNF forms a local closed space, resulting in blocked mobility, allowing STZ molecules in the solution to grow at the defects of STZ crystallization.

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来源期刊

Journal of Crystal Growth 化学-晶体学

CiteScore

3.60

自引率

11.10%

发文量

373

审稿时长

65 days

期刊介绍： The journal offers a common reference and publication source for workers engaged in research on the experimental and theoretical aspects of crystal growth and its applications, e.g. in devices. Experimental and theoretical contributions are published in the following fields: theory of nucleation and growth, molecular kinetics and transport phenomena, crystallization in viscous media such as polymers and glasses; crystal growth of metals, minerals, semiconductors, superconductors, magnetics, inorganic, organic and biological substances in bulk or as thin films; molecular beam epitaxy, chemical vapor deposition, growth of III-V and II-VI and other semiconductors; characterization of single crystals by physical and chemical methods; apparatus, instrumentation and techniques for crystal growth, and purification methods; multilayer heterostructures and their characterisation with an emphasis on crystal growth and epitaxial aspects of electronic materials. A special feature of the journal is the periodic inclusion of proceedings of symposia and conferences on relevant aspects of crystal growth.