Structure of Sulfated Monosaccharides Studied by Quantum Chemical Methods

Ab initio and DFT analysis have been used to study of geometry of sulfated monosaccharides GlcN,6-SO(3)(-) and IdoA 2-SO(3)(-) in solvent. The computed low conformational barrier between the interconverting conformers of the IdoA 2-SO(3)(-) residue is in agreement with experimental data.

Detalles Bibliográficos
Autores principales: Scholtzová, Eva, Mach, Pavel, Hricovíni, Miloš
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2003
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6147085/
http://dx.doi.org/10.3390/81100770
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author Scholtzová, Eva
Mach, Pavel
Hricovíni, Miloš
author_facet Scholtzová, Eva
Mach, Pavel
Hricovíni, Miloš
author_sort Scholtzová, Eva
collection PubMed
description Ab initio and DFT analysis have been used to study of geometry of sulfated monosaccharides GlcN,6-SO(3)(-) and IdoA 2-SO(3)(-) in solvent. The computed low conformational barrier between the interconverting conformers of the IdoA 2-SO(3)(-) residue is in agreement with experimental data.
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spelling pubmed-61470852018-11-19 Structure of Sulfated Monosaccharides Studied by Quantum Chemical Methods Scholtzová, Eva Mach, Pavel Hricovíni, Miloš Molecules Article Ab initio and DFT analysis have been used to study of geometry of sulfated monosaccharides GlcN,6-SO(3)(-) and IdoA 2-SO(3)(-) in solvent. The computed low conformational barrier between the interconverting conformers of the IdoA 2-SO(3)(-) residue is in agreement with experimental data. MDPI 2003-11-15 /pmc/articles/PMC6147085/ http://dx.doi.org/10.3390/81100770 Text en © 2003 by MDPI (http://www.mdpi.org). Reproduction is permitted for noncommercial purposes.
spellingShingle Article
Scholtzová, Eva
Mach, Pavel
Hricovíni, Miloš
Structure of Sulfated Monosaccharides Studied by Quantum Chemical Methods
title Structure of Sulfated Monosaccharides Studied by Quantum Chemical Methods
title_full Structure of Sulfated Monosaccharides Studied by Quantum Chemical Methods
title_fullStr Structure of Sulfated Monosaccharides Studied by Quantum Chemical Methods
title_full_unstemmed Structure of Sulfated Monosaccharides Studied by Quantum Chemical Methods
title_short Structure of Sulfated Monosaccharides Studied by Quantum Chemical Methods
title_sort structure of sulfated monosaccharides studied by quantum chemical methods
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6147085/
http://dx.doi.org/10.3390/81100770
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AT machpavel structureofsulfatedmonosaccharidesstudiedbyquantumchemicalmethods
AT hricovinimilos structureofsulfatedmonosaccharidesstudiedbyquantumchemicalmethods

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