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首页> 外文期刊>Crystal growth & design >Polymorph-Directing Seeding of Entacapone Crystallization in Aqueous/Acetone Solution Using a Self-Assembled Molecular Layer on Au (100)
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Polymorph-Directing Seeding of Entacapone Crystallization in Aqueous/Acetone Solution Using a Self-Assembled Molecular Layer on Au (100)

机译：使用Au（100）上的自组装分子层在水溶液/丙酮溶液中Entacapone结晶的多晶型定向晶种

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摘要

Crystallization of the active pharmaceutical ingredient Entacapone, which exhibits strong polymorphic behavior in aqueous/acetone solutions, is examined with and without the presence of a self-assembled molecular layer or Entacapone (SALE) on an Au (100) surface. SALE characterization by electrochemical and spectroscopic tools confirms the existence of a well-ordered layer structure. These surfaces are found to act as nucleation catalysts providing polymorph-specific templates which enable secondary nucleation through provision of oriented adsorption and molecular recognition at the SALE/solution interface. In particular, crystallization of the stable prismatic polymorphic form A is observed from aqueous/acetone solutions in the presence of an SALE compared to needle-shaped crystals of the metastable form D which usually form. The quiescent crystallization of Entacapone from the same aqueous/acetone solutions in the presence of an Au (100) surface produces an assembly of single crystals form A epitaxially grown at the surface with concomitantly form D being produced in the bulk solution confirming the surface-sensitive nature of the crystallization process. The research reveals the possibility of switching nucleation from uncontrolled nucleation sites toward a more directed crystallization process, and hence more stable polymorphic form, through the selective choice of adsorbed species. The future potential of this concept and methodology for larger scale size processes is discussed.
机译：在有或没有在Au（100）表面上存在自组装分子层或Entacapone（SALE）的情况下，检查了在水/丙酮溶液中表现出强多态性的活性药物成分Entacapone的结晶。通过电化学和光谱学工具进行的SALE表征证实了层序结构的良好存在。发现这些表面充当成核催化剂，提供多晶型物特异性模板，通过在SALE /溶液界面提供定向吸附和分子识别，可实现二次成核。特别地，与通常形成的亚稳晶型D的针状晶体相比，在SALE存在下从水溶液/丙酮溶液中观察到稳定的棱柱形多晶型A的结晶。在Au（100）表面存在下，恩他卡朋从相同的水溶液/丙酮溶液中静态结晶会产生单晶形式的A的组装体，该单晶A在表面上外延生长，随之在本体溶液中产生的D形成了表面敏感性结晶过程的性质。这项研究揭示了通过选择吸附物种，将成核从不受控制的成核位置切换到更直接的结晶过程，从而获得更稳定的多晶型形式的可能性。讨论了这种概念和方法在规模更大的过程中的未来潜力。

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