Advanced NMR Methods for Complex Mixture Analysis Driven by Industrial Challenges

工业挑战驱动下的复杂混合物分析的先进 NMR 方法

• 批准号: 2509660
• 金额: --
• 依托单位: University of Manchester
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2020
• 资助国家: 英国
• 起止时间: 2020 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2509660
• 关键词: Advanced; NMR; Methods; Complex; Mixture

Reliable characterisation of active pharmaceutical ingredients is key to understanding the properties of drug formulations. In particular, assessing purity at various stages in production is essential, as it is a requirement that low-level impurities need to be identified and characterised in order for a new drug to receive regulatory approval. NMR spectroscopy is a powerful tool for structural analysis of pure compounds. However, current NMR methods struggle to extract the required information in a straightforward and reliable manner from complex mixtures. This project is focused on the development and application of advanced NMR methods that maximise our ability to identify and characterise low-level species present in mixtures. Throughout the project, experiment, theory and computer simulation will proceed hand-in-hand with application to chemical problems including pharmaceutical formulations, where regulatory requirements make it necessary to quantify and characterise species present above 0.1%.

活性药物成分的可靠表征是了解药物制剂性质的关键。特别是，在生产的各个阶段评估纯度是必不可少的，因为为了使新药获得监管批准，需要识别和表征低水平杂质。核磁共振波谱是纯化合物结构分析的有力工具。然而，目前的NMR方法很难从复杂的混合物中以简单可靠的方式提取所需的信息。该项目的重点是开发和应用先进的核磁共振方法，最大限度地提高我们的能力，以确定和检测低水平的物种存在于混合物中。在整个项目中，实验，理论和计算机模拟将与化学问题（包括药物配方）的应用携手进行，其中监管要求需要量化和消除0.1%以上的物种。