Exploring high-throughput synchrotron X-Ray powder diffraction for the structural analysis of pharmaceuticals

IF 5.2 2区 医学 Q1 PHARMACOLOGY & PHARMACY
M. Reinle-Schmitt , D. Šišak Jung , M. Morin , F.N. Costa , N. Casati , F. Gozzo
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Abstract

Synchrotron radiation offers a host of advanced properties, surpassing conventional laboratory sources with its high brightness, tunable phonon energy, photon beam coherence for advanced X-ray imaging, and a structured time profile, ideal for capturing dynamic atomic and molecular processes. However, these benefits come at the cost of operational complexity and expenses. Three decades ago, synchrotron radiation facilities, while technically open to all scientists, primarily served a limited community. Despite substantial accessibility improvements over the past two decades, synchrotron measurements still do not qualify as routine analyses. The intrinsic complexity of synchrotron science means experiments are pursued only when no alternatives suffice. In recent years, strides have been made in technology transfer offices, intermediate synchrotron-based analytical service companies, and the development of high-throughput synchrotron systems at various facilities, reshaping the perception of synchrotron science. This article investigates the practical application of synchrotron X-Ray Powder Diffraction (s-XRPD) techniques in pharmaceutical analysis. By utilizing concrete examples, we demonstrate how high-throughput systems have the potential to revolutionize s-XRPD applications in the pharmaceutical industry, rapidly generating XRPD patterns of comparable or superior quality to those obtained in state-of-the-art laboratory XRPD, all in less than 5 s. Additional cases featuring well-established pharmaceutical active ingredients (API) and excipients substantiate the concept of high throughput in pharmaceuticals, affirming data quality through structural refinements aligned with literature-derived unit cell parameters. Synchrotron data need not always be state-of-the-art to compete with lab-XRPD data. The key lies in ensuring user-friendliness, reproducibility, accessibility, cost-effectiveness, and the streamlined efforts associated with synchrotron instrumentation to remain highly competitive with their laboratory counterparts.

Abstract Image

探索用于药物结构分析的高通量同步辐射 X 射线粉末衍射技术
同步辐射具有一系列先进特性,其高亮度、可调声子能量、用于先进 X 射线成像的光子束相干性以及结构化的时间轮廓都超越了传统的实验室光源,是捕捉动态原子和分子过程的理想选择。然而,这些优势是以操作复杂性和费用为代价的。三十年前,同步辐射设施虽然在技术上对所有科学家开放,但主要服务于有限的群体。尽管在过去二十年里,同步辐射设施的可及性有了很大的改善,但同步辐射测量仍然不能作为常规分析。同步辐射科学固有的复杂性意味着只有在别无选择的情况下才进行实验。近年来,技术转让办公室、以同步辐射为基础的中间分析服务公司以及各种设施的高通量同步辐射系统的开发都取得了长足进步,重塑了人们对同步辐射科学的看法。本文探讨了同步辐射 X 射线粉末衍射 (s-XRPD) 技术在药物分析中的实际应用。通过具体实例,我们展示了高通量系统如何有潜力彻底改变 s-XRPD 在制药行业中的应用,如何在 5 秒内快速生成与最先进的实验室 XRPD 所获质量相当或更优的 XRPD 图样。要与实验室 XRPD 数据竞争,同步加速器数据不必总是最先进的。关键在于确保用户友好性、可重复性、可访问性、成本效益以及与同步加速器仪器相关的简化工作,以保持与实验室同类仪器的高度竞争力。
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来源期刊
International Journal of Pharmaceutics: X
International Journal of Pharmaceutics: X Pharmacology, Toxicology and Pharmaceutics-Pharmaceutical Science
CiteScore
6.60
自引率
0.00%
发文量
32
审稿时长
24 days
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