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Conformational Dynamics of Hyaluronan in Solution. 2. Mode-Coupling Diffusion Approach to Oligomers (Articolo in rivista)
- Type
- Label
- Conformational Dynamics of Hyaluronan in Solution. 2. Mode-Coupling Diffusion Approach to Oligomers (Articolo in rivista) (literal)
- Anno
- 2002-01-01T00:00:00+01:00 (literal)
- Alternative label
Letardi S., 1 La Penna G. 2, Chiessi E. 3, Perico A. 2, Cesaro A.1 (2002)
Conformational Dynamics of Hyaluronan in Solution. 2. Mode-Coupling Diffusion Approach to Oligomers
in Macromolecules (Print)
(literal)
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- Letardi S., 1 La Penna G. 2, Chiessi E. 3, Perico A. 2, Cesaro A.1 (literal)
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- Impact Factor 2002 = 3.751 (literal)
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- Articolo in pubblicazione internazionale (literal)
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- ISI Web of Science (WOS) (literal)
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- 1. Uni Trieste
2. CNR, ISMAC-GE, Genova
3. Uni Roma Tor Vergata (literal)
- Titolo
- Conformational Dynamics of Hyaluronan in Solution. 2. Mode-Coupling Diffusion Approach to Oligomers (literal)
- Abstract
- A detailed study of structure and dynamics of hyaluronan oligomers (UA)4
and (UA)2 is presented. Recent advances in macromolecule diffusion theory
are applied to second order in the mode-coupling expansion to derive
second-rank time-correlation functions of the C-H vectors along the
chains. The required equilibrium averages are approximated by time
averages along an atomistic molecular dynamics simulation. The results are
compared with experimental 13C-NMR relaxation parameters of different
nuclei in the molecule. The pronounced structure in the relaxation pattern
found in the experiments for (UA)4 can be qualitatively interpreted in
terms of rotational diffusion anisotropy with partially screened
hydrodynamic interactions. Inter-residue hydrogen bonds concerning the
side chains are weak and do not have significant local effects while O5(i)-
HO3/4(i+1) hydrogen bonds can play a significant role in coupling
conformational degrees of freedom with solvation. The implications of this
study on the knowledge of the hyaluronan polymer structure and dynamics
are addressed. (literal)
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