Structural Diversity of Di-Metalized Arginine Evidenced by Infrared Multiple Photon Dissociation (IRMPD) Spectroscopy in the Gas Phase

Although metal cations are prevalent in biological media, the species of multi-metal cationized biomolecules have received little attention so far. Studying these complexes in isolated state is important, since it provides intrinsic information about the interaction among them on the molecular level...

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Autores principales:	Ruxia Feng, Yicheng Xu, Xianglei Kong
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	IRMPD spectroscopy metallization amino acid structural diversity mass spectrometry Organic chemistry QD241-441
Acceso en línea:	https://doaj.org/article/f94d5265d3d044759ac4279306533d26
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spelling	oai:doaj.org-article:f94d5265d3d044759ac4279306533d262021-11-11T18:31:51ZStructural Diversity of Di-Metalized Arginine Evidenced by Infrared Multiple Photon Dissociation (IRMPD) Spectroscopy in the Gas Phase10.3390/molecules262165461420-3049https://doaj.org/article/f94d5265d3d044759ac4279306533d262021-10-01T00:00:00Zhttps://www.mdpi.com/1420-3049/26/21/6546https://doaj.org/toc/1420-3049Although metal cations are prevalent in biological media, the species of multi-metal cationized biomolecules have received little attention so far. Studying these complexes in isolated state is important, since it provides intrinsic information about the interaction among them on the molecular level. Our investigation here demonstrates the unexpected structural diversity of such species generated by a matrix-assisted laser desorption ionization (MALDI) source in the gas phase. The photodissociation spectroscopic and theoretical study reflects that the co-existing isomers of [Arg+Rb+K−H]<sup>+</sup> can have energies ≥95 kJ/mol higher than that of the most stable one. While the result can be rationalized by the great isomerization energy barrier due to the coordination, it strongly reminds us to pay more attention to their structural diversities for multi-metalized fundamental biological molecules, especially for the ones with the ubiquitous alkali metal ions.Ruxia FengYicheng XuXianglei KongMDPI AGarticleIRMPD spectroscopymetallizationamino acidstructural diversitymass spectrometryOrganic chemistryQD241-441ENMolecules, Vol 26, Iss 6546, p 6546 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	IRMPD spectroscopy metallization amino acid structural diversity mass spectrometry Organic chemistry QD241-441
spellingShingle	IRMPD spectroscopy metallization amino acid structural diversity mass spectrometry Organic chemistry QD241-441 Ruxia Feng Yicheng Xu Xianglei Kong Structural Diversity of Di-Metalized Arginine Evidenced by Infrared Multiple Photon Dissociation (IRMPD) Spectroscopy in the Gas Phase
description	Although metal cations are prevalent in biological media, the species of multi-metal cationized biomolecules have received little attention so far. Studying these complexes in isolated state is important, since it provides intrinsic information about the interaction among them on the molecular level. Our investigation here demonstrates the unexpected structural diversity of such species generated by a matrix-assisted laser desorption ionization (MALDI) source in the gas phase. The photodissociation spectroscopic and theoretical study reflects that the co-existing isomers of [Arg+Rb+K−H]<sup>+</sup> can have energies ≥95 kJ/mol higher than that of the most stable one. While the result can be rationalized by the great isomerization energy barrier due to the coordination, it strongly reminds us to pay more attention to their structural diversities for multi-metalized fundamental biological molecules, especially for the ones with the ubiquitous alkali metal ions.
format	article
author	Ruxia Feng Yicheng Xu Xianglei Kong
author_facet	Ruxia Feng Yicheng Xu Xianglei Kong
author_sort	Ruxia Feng
title	Structural Diversity of Di-Metalized Arginine Evidenced by Infrared Multiple Photon Dissociation (IRMPD) Spectroscopy in the Gas Phase
title_short	Structural Diversity of Di-Metalized Arginine Evidenced by Infrared Multiple Photon Dissociation (IRMPD) Spectroscopy in the Gas Phase
title_full	Structural Diversity of Di-Metalized Arginine Evidenced by Infrared Multiple Photon Dissociation (IRMPD) Spectroscopy in the Gas Phase
title_fullStr	Structural Diversity of Di-Metalized Arginine Evidenced by Infrared Multiple Photon Dissociation (IRMPD) Spectroscopy in the Gas Phase
title_full_unstemmed	Structural Diversity of Di-Metalized Arginine Evidenced by Infrared Multiple Photon Dissociation (IRMPD) Spectroscopy in the Gas Phase
title_sort	structural diversity of di-metalized arginine evidenced by infrared multiple photon dissociation (irmpd) spectroscopy in the gas phase
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/f94d5265d3d044759ac4279306533d26
work_keys_str_mv	AT ruxiafeng structuraldiversityofdimetalizedarginineevidencedbyinfraredmultiplephotondissociationirmpdspectroscopyinthegasphase AT yichengxu structuraldiversityofdimetalizedarginineevidencedbyinfraredmultiplephotondissociationirmpdspectroscopyinthegasphase AT xiangleikong structuraldiversityofdimetalizedarginineevidencedbyinfraredmultiplephotondissociationirmpdspectroscopyinthegasphase
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Structural Diversity of Di-Metalized Arginine Evidenced by Infrared Multiple Photon Dissociation (IRMPD) Spectroscopy in the Gas Phase

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