Please use this identifier to cite or link to this item:
Full metadata record
DC FieldValueLanguage
dc.contributor.authorHai Thi Huynhen_US
dc.contributor.authorHuu Trong Phanen_US
dc.contributor.authorPo Jen Hsuen_US
dc.contributor.authorJien Lian Chenen_US
dc.contributor.authorHock Seng Nguanen_US
dc.contributor.authorShang Ting Tsaien_US
dc.contributor.authorThantip Roongcharoenen_US
dc.contributor.authorChia Yen Liewen_US
dc.contributor.authorChi Kung Nien_US
dc.contributor.authorJer Lai Kuoen_US
dc.description.abstract© 2018 the Owner Societies. Collision-induced dissociation of sodiated α-glucose, β-glucose, α-galactose, β-galactose, α-mannose, and β-mannose was studied using electronic structure calculations and resonance excitation in a low-pressure linear ion trap. We made an extensive search of conformers and transition states in calculations to ensure the transition state with the lowest barrier height for each dissociation channel could be located. The major dissociation channels, in addition to desodiation, are cross-ring dissociation and dehydration. Cross-ring dissociation starts with H atom transfer from the O1 atom to the O0 atom, followed by the cleavage of the C1-O0 bond. Dehydration of the anomer with O1 and O2 atoms in the cis configuration involves the transfer of an H atom from the O2 atom to the O1 atom, followed by the cleavage of the C1-O1 bond. In contrast, dehydration of the anomer with O1 and O2 atoms in the trans configuration mainly occurs through H atom transfer from the O3 or O2 atom to the O1 atom for glucose, from the O3 or O4 atom to the O1 atom for galactose, and from the O4 or O2 atom to the O1 atom for mannose, followed by the cleavage of the C1-O1 bond. The dehydration barrier heights are lower than those of cross-ring dissociation for cis anomers, but higher than those of cross-ring dissociation for trans anomers. The relative barrier heights from calculations are consistent with the experimental measurements of branching ratios. Both computational and experimental results show that the branching ratio of dehydration can be generalized as a simple rule for rapidly identifying the anomeric configurations of these monosaccharides.en_US
dc.subjectPhysics and Astronomyen_US
dc.titleCollision-induced dissociation of sodiated glucose, galactose, and mannose, and the identification of anomeric configurationsen_US
article.title.sourcetitlePhysical Chemistry Chemical Physicsen_US
article.volume20en_US of Atomic and Molecular Sciences Academia Sinica Taiwanen_US Tsing Hua Universityen_US Mai Universityen_US
Appears in Collections:CMUL: Journal Articles

Files in This Item:
There are no files associated with this item.

Items in CMUIR are protected by copyright, with all rights reserved, unless otherwise indicated.