Algorithm-Driven Chromatographic Method for Prostaglandin Isomer Identification via Tandem Mass Spectrometry

IF 2.7 2区 化学 Q2 BIOCHEMICAL RESEARCH METHODS
Toshinobu Hondo*, , , Yumi Miyake, , and , Michisato Toyoda, 
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引用次数: 0

Abstract

This study explores the computational isolation of prostaglandin (PG) isomers, specifically PG E2 (PGE2) and D2 (PGD2), to enhance method development efficiency and provide insights into their retention behavior during supercritical fluid extraction (SFE) combined with supercritical fluid chromatography (SFC)-tandem mass spectrometry (MS/MS). Although PGE2 and PGD2 are positional isomers that yield identical product ions in MS/MS, they serve distinct biological roles. This research illustrates the efficacy of selected reaction monitoring (SRM)-based techniques for differentiating coeluting isomers. Despite the challenges posed by baseline resolution, simplified computational methods successfully distinguished between PGE2 and PGD2, demonstrating the potential for high-throughput PG analysis without the necessity for complete chromatographic peak resolution. By employing least-squares estimation to solve a linear system, the abundance ratio of PGE2 to PGD2 was derived from intensity ratios across four SRM transitions, achieving precise quantification even with poorly resolved SFC peaks. The study highlights critical factors affecting PG retention, such as the choice of the stationary phase, temperature regulation, and reduction of stainless steel interactions, which can diminish signal intensity. A significant observation is the concentration-dependent suppression effect of the entrainer when interacting with the hepatocyte matrix, underscoring the importance of effective matrix management in SFE/SFC-MS/MS. These findings advance the development of a robust, high-throughput analytical platform for PG quantification and lipidomics research applications.

Abstract Image

串联质谱法鉴别前列腺素异构体的算法驱动色谱方法。
本研究探讨了前列腺素(PG)异构体的计算分离,特别是PGE2 (PGE2)和D2 (PGD2),以提高方法开发效率,并在超临界流体萃取(SFE)结合超临界流体色谱(SFC)-串联质谱(MS/MS)过程中深入了解它们的保留行为。虽然PGE2和PGD2是位置异构体,在质谱/质谱中产生相同的产物离子,但它们具有不同的生物学作用。本研究说明了选择反应监测(SRM)为基础的技术,以区分异构体的有效性。尽管基线分辨率带来了挑战,但简化的计算方法成功区分了PGE2和PGD2,证明了在不需要完全色谱峰分辨率的情况下进行高通量PG分析的潜力。通过采用最小二乘估计来求解线性系统,PGE2与PGD2的丰度比由四个SRM转换的强度比得出,即使在分辨率较差的SFC峰下也能实现精确量化。该研究强调了影响PG保留的关键因素,如固定相的选择、温度调节和不锈钢相互作用的减少,这些都会降低信号强度。一个重要的观察结果是夹带剂与肝细胞基质相互作用时的浓度依赖性抑制效应,强调了在SFE/SFC-MS/MS中有效基质管理的重要性。这些发现促进了PG定量和脂质组学研究应用的强大、高通量分析平台的发展。
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来源期刊
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
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