利用电喷雾离子化和离子迁移谱-质谱法表征抗癌药物原形。

IF 3.1 2区化学 Q2 BIOCHEMICAL RESEARCH METHODS

Journal of the American Society for Mass Spectrometry Pub Date : 2024-12-04 Epub Date: 2024-09-27 DOI:10.1021/jasms.4c00233

Pallab Basuri, Marc Safferthal, Borislav Kovacevic, Pascal Schorr, Jerome Riedel, Kevin Pagel, Dietrich A Volmer

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引用次数: 0

摘要

我们利用电喷雾离子化和离子迁移谱-质谱法检测并表征了三种抗癌药物 palbociclib、copanlisib 和 olaparib。离子迁移质谱法和密度泛函理论显示，由于这些化合物的化学结构中存在多个质子化位点，因此在电离过程中会产生异构体（原形体）。我们的工作对理解这些分子在喷雾电离过程中的溶液和气相化学具有重要意义。

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Characterization of Anticancer Drug Protomers Using Electrospray Ionization and Ion Mobility Spectrometry-Mass Spectrometry.

We used electrospray ionization and ion mobility spectrometry-mass spectrometry to detect and characterize the three anticancer drugs palbociclib, copanlisib, and olaparib. Ion mobility-mass spectrometry and density functional theory revealed that these compounds generate isomers during ionization (protomers) due to the presence of multiple protonation sites within their chemical structures. Our work has implications for understanding the solution- and gas-phase chemistry of these molecules during spray-based ionization processes.

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来源期刊

Journal of the American Society for Mass Spectrometry 化学-分析化学

CiteScore

5.50

自引率

9.40%

发文量

257

审稿时长

1 months

期刊介绍： The Journal of the American Society for Mass Spectrometry presents research papers covering all aspects of mass spectrometry, incorporating coverage of fields of scientific inquiry in which mass spectrometry can play a role. Comprehensive in scope, the journal publishes papers on both fundamentals and applications of mass spectrometry. Fundamental subjects include instrumentation principles, design, and demonstration, structures and chemical properties of gas-phase ions, studies of thermodynamic properties, ion spectroscopy, chemical kinetics, mechanisms of ionization, theories of ion fragmentation, cluster ions, and potential energy surfaces. In addition to full papers, the journal offers Communications, Application Notes, and Accounts and Perspectives