Mechanistic Study of the Collision-Induced Dissociation of Sodium-Cationized Polylactide Oligomers: A Joint Experimental and Theoretical Investigation

被引：25

作者：

De Winter, Julien ^{[1
]}

Lemaur, Vincent ^{[2
]}

Marsal, Philippe ^{[2
,4
]}

Coulembier, Olivier ^{[3
]}

Cornil, Jerome ^{[2
]}

Dubois, Philippe ^{[3
]}

Gerbaux, Pascal ^{[1
]}

机构：

[1] Univ Mons, Ctr Interdisciplinaire Spectometrie Masse, Mass Spectrometry Res Grp, B-7000 Mons, Belgium

[2] Univ Mons, Lab Chem Novel Mat, B-7000 Mons, Belgium

[3] Univ Mons, Lab Polymer & Composite Mat, Ctr Innovat & Res Mat & Polymers, B-7000 Mons, Belgium

[4] Univ Aix Marseille 2 & 3, CNRS, CINaM, Marseille, France

来源：

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY | 2010年 / 21卷 / 07期

关键词：

FORCE-FIELD; STRUCTURAL INFORMATION; MASS-SPECTROMETRY; GENERATION; LACTIDE;

D O I：

10.1016/j.jasms.2010.03.026

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

The low-kinetic energy collision-induced dissociation (CID) behavior of different sodium-cationized polylactide (PLA) oligomers was thoroughly investigated to shed some light on the analytical potentialities of CID experiments in the context of polymer characterization. Indeed, investigation of several end-groups modified PLA reveals that, in addition to the expected end-group specific dissociations, collisionally-excited PLA.Na+ suffer from a backbone cleavage. The so-obtained sodium-bound dimer cations consecutively undergo the loss of a monomeric residue that corresponds to neutral acrylic acid. The experimental observations, performed on a hybrid Q-ToF instrument, were totally corroborated by a theoretical study involving DFT calculations, molecular mechanics, and molecular dynamics calculations. (J Am Soc Mass Spectrom 2010, 21, 1159-1168) (C) 2010 American Society for Mass Spectrometry

引用

页码：1159 / 1168

页数：10

共 29 条

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