Role of Cationization and Multimers Formation for Diastereomers Differentiation by Ion Mobility-Mass Spectrometry
Role of Cationization and Multimers Formation for Diastereomers Differentiation by Ion Mobility-Mass Spectrometry
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DOI：
10.1007/s13361-013-0690-1
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发表时间：
2013-09-01
影响因子：
3.2
通讯作者：
Afonso, Carlos
中科院分区：
文献类型：
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作者：
Domalain, Virginie;Tognetti, Vincent;Afonso, Carlos
立体化学在生物化学中起着重要作用，特别是在治疗应用中。事实上，对映异构体具有不同的生物活性，这可能具有重要的后果。已经开发了许多分析技术，以便能够识别和分离立体异构体。在这里，我们的工作集中在小的非对映异构体的研究使用耦合的行波离子迁移率和质谱（TWIMS-MS）作为一种新的替代立体化学研究。为了优化分离，进行非对映异构体（M）与不同碱金属阳离子（X）之间的加合物的形成。因此，单体[M + X]（+）和多聚体[2 M + X]（+）和[3 M + X]（+）离子已经从实验和理论的观点进行了研究。此外，它已被证明，多聚体[2 Y + M + Li]（+）离子，其中Y是一个辅助的非对映体配体的研究，允许非对映体分离。阳离子化、多聚体离子形成和IM-MS的结合是鉴定非对映异构体的一种新的、强有力的方法。因此，通过这种技术，非对映异构体可以被识别，尽管它们在气相中呈现非常接近的构象。这项工作提出了第一个TWIMS-MS分离的非对映体，这是非常接近的碰撞截面由于多聚体的形成和使用的辅助非对映体配体。
Stereochemistry plays an important role in biochemistry, particularly in therapeutic applications. Indeed, enantiomers have different biological activities, which can have important consequences. Many analytical techniques have been developed in order to allow the identification and the separation of stereoisomers. Here, we focused our work on the study of small diastereomers using the coupling of traveling wave ion mobility and mass spectrometry (TWIMS-MS) as a new alternative for stereochemistry study. In order to optimize the separation, the formation of adducts between diastereomers (M) and different alkali cations (X) was carried out. Thus, monomers [M + X](+) and multimers [2M + X](+) and [3M + X](+) ions have been studied from both experimental and theoretical viewpoints. Moreover, it has been shown that the study of the multimer [2Y + M + Li](+) ion, in which Y is an auxiliary diastereomeric ligand, allows the diastereomers separation. The combination of cationization, multimers ions formation, and IM-MS is a novel and powerful approach for the diastereomers identification. Thus, by this technique, diastereomers can be identified although they present very close conformations in gaseous phase. This work presents the first TWIMS-MS separation of diastereomers, which present very close collision cross section thanks to the formation of multimers and the use of an auxiliary diastereomeric ligand.