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Molecular dynamics simulation and NMR study of aqueous neocarrabiose 4(super 1)-sulfate, a building block of K-carrageenan

Article Abstract:

An investigation on the solution conformation of neocarrabiose 4(super 1)-sulfate, which is a building block of K-carrageenan, by a combination of molecular dynamics simulations and H NMR experiments is presented. The combination of the simulation results and the NMR-NOE data show that for neocarrabiose 4(super 1)-sulfate in water only the conformational well at (-172 degree, -168 degree) is populated to any appreciable extent.

Author: Ueda, Kazuyoshi, Saiki, Mariko, Brady, John W.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2001
Sulfates, Chemical properties

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Molecular dynamics in the smectic A and C* phases in a long-chain ferroelectric liquid crystal: (super 2)H NMR, dielectric properties, and a theoretical treatment

Article Abstract:

A self-consisted dynamic study of the ferroelectric smectic C* (SmC*) phase is presented by means of (super 2) H NMR. The results obtained in both SmA and SmC* phases by NMR have revealed themselves to be useful in calculating dielectric properties and in validating molecular models in both smectic phases.

Author: Geppi, Marco, Veracini, Carlo Alberto, Domenici, Valentina, Zakharov, Alexandre V.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
Ferromagnetism

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Subjects list: Research, Molecular dynamics, Nuclear magnetic resonance
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