Search: onr:"swepub:oai:DiVA.org:su-95416" >
Complete H-1 and C-...
-
Rönnols, JerkStockholms universitet,Institutionen för organisk kemi
(author)
Complete H-1 and C-13 NMR chemical shift assignments of mono- to tetrasaccharides as basis for NMR chemical shift predictions of oligosaccharides using the computer program CASPER
- Article/chapterEnglish2013
Publisher, publication year, extent ...
-
Elsevier BV,2013
-
electronicrdacarrier
Numbers
-
LIBRIS-ID:oai:DiVA.org:su-95416
-
https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-95416URI
-
https://doi.org/10.1016/j.carres.2013.06.026DOI
Supplementary language notes
-
Language:English
-
Summary in:English
Part of subdatabase
Classification
-
Subject category:ref swepub-contenttype
-
Subject category:art swepub-publicationtype
Notes
-
AuthorCount:12;
-
H-1 and C-13 NMR chemical shift data are used by the computer program CASPER to predict chemical shifts of oligo- and polysaccharides. Three types of data are used, namely, those from monosaccharides, disaccharides, and trisaccharides. To improve the accuracy of these predictions we have assigned the H-1 and C-13 NMR chemical shifts of eleven monosaccharides, eleven disaccharides, twenty trisaccharides, and one tetrasaccharide; in total 43 compounds. Five of the oligosaccharides gave two distinct sets of NMR resonances due to the alpha- and beta-anomeric forms resulting in 48 H-1 and C-13 NMR chemical shift data sets. In addition, the pyranose ring forms of Neu5Ac were assigned at two temperatures, due to chemical shift displacements as a function of temperature. The H-1 NMR chemical shifts were refined using total line-shape analysis with the PERCH NMR software. H-1 and C-13 NMR chemical shift predictions were subsequently carried out by the CASPER program (http://www.casper.organ.su.se/casper/) for three branched oligosaccharides having different functional groups at their reducing ends, namely, a mannose-containing pentasaccharide, and two fucose-containing heptasaccharides having N-acetyllactosamine residues in the backbone of their structures. Good to excellent agreement was observed between predicted and experimental H-1 and C-13 NMR chemical shifts showing the utility of the method for structural determination or confirmation of synthesized oligosaccharides.
Subject headings and genre
Added entries (persons, corporate bodies, meetings, titles ...)
-
Pendrill, RobertStockholms universitet,Institutionen för organisk kemi(Swepub:su)rope4476
(author)
-
Fontana, CarolinaStockholms universitet,Institutionen för organisk kemi(Swepub:su)cfont
(author)
-
Hamark, ChristofferStockholms universitet,Institutionen för organisk kemi(Swepub:su)chha8123
(author)
-
Angles d'Ortoli, ThibaultStockholms universitet,Institutionen för organisk kemi(Swepub:su)than7839
(author)
-
Engström, OlofStockholms universitet,Institutionen för organisk kemi(Swepub:su)olen5895
(author)
-
Ståhle, JonasStockholms universitet,Institutionen för organisk kemi(Swepub:su)jost5362
(author)
-
Zaccheus, Mona V.Stockholms universitet,Institutionen för organisk kemi(Swepub:su)mosv1695
(author)
-
Säwén, ElinStockholms universitet,Institutionen för organisk kemi(Swepub:su)els8303
(author)
-
Hahn, Liljan E.Stockholms universitet,Institutionen för organisk kemi
(author)
-
Iqbal, ShahzadStockholms universitet,Institutionen för organisk kemi
(author)
-
Widmalm, GöranStockholms universitet,Institutionen för organisk kemi(Swepub:su)gw
(author)
-
Stockholms universitetInstitutionen för organisk kemi
(creator_code:org_t)
Related titles
-
In:Carbohydrate Research: Elsevier BV380, s. 156-1660008-62151873-426X
Internet link
Find in a library
To the university's database
- By the author/editor
-
Rönnols, Jerk
-
Pendrill, Robert
-
Fontana, Carolin ...
-
Hamark, Christof ...
-
Angles d'Ortoli, ...
-
Engström, Olof
-
show more...
-
Ståhle, Jonas
-
Zaccheus, Mona V ...
-
Säwén, Elin
-
Hahn, Liljan E.
-
Iqbal, Shahzad
-
Widmalm, Göran
-
show less...
- About the subject
-
- NATURAL SCIENCES
-
NATURAL SCIENCES
-
and Chemical Science ...
-
and Organic Chemistr ...
- Articles in the publication
-
Carbohydrate Res ...
- By the university
-
Stockholm University