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Triple three-dimensional MS/MS spectrum facilitates quantitative ginsenosides-targeted sub-metabolome characterization in notoginseng.
Acta Pharm Sin B
September 2024
Modern Research Center for Traditional Chinese Medicine, Beijing Research Institute of Chinese Medicine, Beijing University of Chinese Medicine, Beijing 100029, China.
Although serving as the workhorse, MS/MS cannot fully satisfy the analytical requirements of quantitative sub-metabolome characterization. Because more information intrinsically correlates to more structural and concentration clues, here, efforts were devoted to comprehensively tracing and deciphering MS/MS behaviors through constructing triple three-dimensional (3×3D)-MS/MS spectrum. Ginsenosides-targeted metabolomics of notoginseng, one of the most famous edible medicinal plants, was employed as a proof-of-concept.
View Article and Find Full Text PDFFragmentation dynamics of CHCl ( = 2,3): theory and experiment.
Phys Chem Chem Phys
November 2022
Université Gustave Eiffel, COSYS/IMSE, 5 Bd Descartes 77454, Champs sur Marne, France.
A combined theoretical and experimental study of the dissociation of the di- and trication of the CHCl molecule has been performed. Experimentally, these multi-charged ions were produced after interactions of a CHCl effusive jet with a mono-energetic beam of H or Ar projectile ions. Theoretically, we mapped the multi-dimensional potential energy surfaces of CHCl, HCClH and CHCl species in their electronic ground and electronically excited states using post-Hartree-Fock configuration interaction methods.
View Article and Find Full Text PDFInteraction of hydantoin with solar wind minority ions: O and He.
Phys Chem Chem Phys
March 2020
Laboratoire Collisions Agrégats et Réactivité, UMR 5589-CNRS Université Paul Sabatier Toulouse III, 118 Route de Narbonne, 31062 Toulouse Cedex 9, France.
The laboratory study of prebiotic molecules interacting with solar wind ions is important to understand their role in the emergence of life in the complex context of the astrochemistry of circumstellar environments. In this work, we present the first study of the interaction of hydantoin (CNOH, 100 a.m.
View Article and Find Full Text PDFMulti-ionization of the Cl molecule in the near-infrared femtosecond laser field.
RSC Adv
December 2019
Department of Physics, State Key Laboratory of Precision Spectroscopy, East China Normal University Shanghai 200062 People's Republic of China
The multi-electron ionization and subsequent dissociation of the Cl molecule in a near-infrared femtosecond laser field was investigated the dc-sliced ion imaging technique. The single charged molecular ions, Cl , dissociate from two excited states, Π and Σ , with the electrons ionized from the HOMO-1 and HOMO-2 orbital, respectively. For the multi-charged molecular ions, Cl ( = 2-8), our results showed that the stretch of the inter-nuclear distance benefitted the ionization of the electrons to produce highly-charged molecular ions.
View Article and Find Full Text PDFImpact of charge state on 193 nm ultraviolet photodissociation of protein complexes.
Phys Chem Chem Phys
May 2019
Department of Chemistry, University of Texas at Austin, Austin, TX 78712, USA.
As applications in mass spectrometry continue to expand into the field of structural biology, there have been an increasing number of studies on noncovalent biological assemblies. Ensuring that protein complexes maintain native-like conformations and architectures during the transition from solution to the gas phase is a key aim. Probing composition and arrangement of subunits of multi-charged complexes via tandem mass spectrometry (MS/MS) may lead to protein unfolding and the redistribution of charges on the constituent subunits, leading to asymmetric charge partitioning and ejection of a high-charged monomer.
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