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Nuclear magnetic resonance and conformational investigations of the pentasaccharide of the Forssman antigen and overlapping di-, tri-, and tetra-saccharide sequences

Grönberg, Gunnar ; Nilsson, Ulf LU ; Bock, Klaus and Magnusson, Göran LU (1994) In Carbohydrate Research 257(1). p.35-54
Abstract

The 1H and 13C NMR parameters, i.e., chemical shifts and coupling constants, for the pentasaccharide of the Forssman antigen and overlapping di-, tri-, and tetra-saccharide sequences thereof have been measured and assigned completely using 1D and 2D techniques, and the oligosaccharide structures have thereby been confirmed. Nuclear Overhauser effect (NOE) experiments have been carried out at three different temperatures to assess the preferred conformations of the pentasaccharide and the component oligosaccharides. The conformational preferences of the compounds mentioned above have subsequently been investigated by theoretical calculations. The flexibity and dynamics of the molecules have been studied by... (More)

The 1H and 13C NMR parameters, i.e., chemical shifts and coupling constants, for the pentasaccharide of the Forssman antigen and overlapping di-, tri-, and tetra-saccharide sequences thereof have been measured and assigned completely using 1D and 2D techniques, and the oligosaccharide structures have thereby been confirmed. Nuclear Overhauser effect (NOE) experiments have been carried out at three different temperatures to assess the preferred conformations of the pentasaccharide and the component oligosaccharides. The conformational preferences of the compounds mentioned above have subsequently been investigated by theoretical calculations. The flexibity and dynamics of the molecules have been studied by Metropolis Monte Carlo simulations using a modified HSEA force field, and ensemble average data have been generated and compared to data obtained experimentally.

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author
; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Carbohydrate Research
volume
257
issue
1
pages
20 pages
publisher
Elsevier
external identifiers
  • scopus:0028419698
  • pmid:8004638
ISSN
0008-6215
DOI
10.1016/0008-6215(94)84106-3
language
English
LU publication?
yes
id
e6acb9be-438b-4d94-be4d-9fc3a5af9957
date added to LUP
2023-02-07 09:48:33
date last changed
2024-01-03 22:02:27
@article{e6acb9be-438b-4d94-be4d-9fc3a5af9957,
  abstract     = {{<p>The <sup>1</sup>H and <sup>13</sup>C NMR parameters, i.e., chemical shifts and coupling constants, for the pentasaccharide of the Forssman antigen and overlapping di-, tri-, and tetra-saccharide sequences thereof have been measured and assigned completely using 1D and 2D techniques, and the oligosaccharide structures have thereby been confirmed. Nuclear Overhauser effect (NOE) experiments have been carried out at three different temperatures to assess the preferred conformations of the pentasaccharide and the component oligosaccharides. The conformational preferences of the compounds mentioned above have subsequently been investigated by theoretical calculations. The flexibity and dynamics of the molecules have been studied by Metropolis Monte Carlo simulations using a modified HSEA force field, and ensemble average data have been generated and compared to data obtained experimentally.</p>}},
  author       = {{Grönberg, Gunnar and Nilsson, Ulf and Bock, Klaus and Magnusson, Göran}},
  issn         = {{0008-6215}},
  language     = {{eng}},
  month        = {{04}},
  number       = {{1}},
  pages        = {{35--54}},
  publisher    = {{Elsevier}},
  series       = {{Carbohydrate Research}},
  title        = {{Nuclear magnetic resonance and conformational investigations of the pentasaccharide of the Forssman antigen and overlapping di-, tri-, and tetra-saccharide sequences}},
  url          = {{http://dx.doi.org/10.1016/0008-6215(94)84106-3}},
  doi          = {{10.1016/0008-6215(94)84106-3}},
  volume       = {{257}},
  year         = {{1994}},
}