使用电喷射电离和离子移动性光谱法-质谱法对抗癌药物原体的表征
Pallab Basuri1, Marc Safferthal2, Borislav Kovacevic3
1Institute of Chemistry, Humboldt-Universität zu Berlin, 12489 Berlin, Germany.
Journal of the American Society for Mass Spectrometry
|October 2, 2024
概括
研究人员使用离子运动质谱法检测出抗癌药物palbociclib,copanlisib和olaparib. 这些药物在离子化过程中形成异构体,称为原构体,由于多个质子化位点,影响了它们的化学分析.
科学领域:
- 分析化学 分析化学
- 物理化学 物理化学
- 药用化学 医学化学
背景情况:
- 对抗癌症药物的准确表征对于制药开发和质量控制至关重要.
- 电子喷雾电离 (ESI) 是分析药物的常见技术,但可能导致结构修改.
- 了解电离过程是解释复杂分子质谱数据的关键.
研究的目的:
- 为了检测和描述抗癌药物palbociclib,copanlisib和olaparib.
- 为了研究在电喷离子化过程中异构体 (原构体) 的形成.
- 阐明多个质子化位点在异构体形成中的作用及其对气相化学的影响.
主要方法:
- 电子喷雾电离 (ESI) 是一种电子喷雾电离技术.
- 离子移动性光谱学-质谱学 (IMS-MS) 的应用.
- 密度函数理论 (DFT) 的计算.
主要成果:
- 使用IMS-MS.成功检测和表征了palbociclib,copanlisib和olaparib使用IMS-MS.
- 鉴定这些药物的原体形成,表明在电离过程中产生异构体.
- 多个质子位点与观察到的质子体形成之间的相关性,得到了DFT计算的支持.
结论:
- 这项研究表明IMS-MS对于分析复杂的抗癌药物的实用性.
- 在ESI期间,palbociclib,copanlisib和olaparib中的多个质子位会导致异构体 (原构体) 的形成.
- 这些发现提供了对这些药物的溶液和气相化学的见解,这对于基于质谱的精确分析至关重要.
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