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Influence of Chemical Functionality on the Rate of Polymer-Induced Heteronucleation

机译:化学功能对聚合物诱导的异核率的影响

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摘要

Polymer-induced heteronucleation can dramatically increase the nucleation rate of pharmaceuticals. However, directly comparing the heteronucleation rates of different polymer functionalities is often convoluted with changing physical or structural aspects of heteronuclei. Here, we report a methodology for comparing nucleation efficiencies of different functionalities on polymer heteronuclei of uniform topology with the goal of identifying those functionalities that best accelerate nucleation of a model pharmaceutical. It was found that the previously employed design for additives to speed acetaminophen crystallization underperforms a modified framework that accounts for the effect of competitive solvent binding. These findings are informed by a survey of interactions from the CSD and not only serve to aid in the controlled crystallization of pharmaceuticals, but also provide insight into the mechanism of heteronucleation.
机译:聚合物诱导的异核核酸可显着增加药物的成核速率。 然而,直接比较不同聚合物官能团的异核率通常随着杂核的变化物理或结构方面而被旋转。 在这里,我们报告了一种方法,用于比较均匀拓扑中不同函数对均匀拓扑核心的不同功能的核效率,其目的是鉴定最佳加速模型药物的核心的功能。 结果发现,前面使用的添加剂的速度乙酰氨基酚结晶设计表现出用于竞争性溶剂结合的效果的改良框架。 通过对CSD的相互作用的调查通知这些发现,不仅有助于帮助受到药物的受控结晶,而且还提供对异共核的机制的洞察力。

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  • 来源
    《Crystal growth & design》 |2017年第8期|共4页
  • 作者单位

    Univ Michigan Dept Chem &

    Macromol Sci &

    Engn Program 930 North Univ Ave Ann Arbor MI 48109 USA;

    Univ Michigan Dept Chem &

    Macromol Sci &

    Engn Program 930 North Univ Ave Ann Arbor MI 48109 USA;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 晶体学;
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