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Caffeine and Sugars Interact in Aqueous Solutions: A Simulation and NMR Study

Molecular dynamics simulations were carried out on several systems of caffeine interacting with simple sugars. These included a single caffeine molecule in a 3 molal solution of α-D-glucopyranose, at a caffeine concentration of 0.083 molal; a single caffeine in a 3 molal solution of β-D-glucopyranos...

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Detalhes bibliográficos
Main Authors: Tavagnacco, Letizia, Engström, Olof, Schnupf, Udo, Saboungi, Marie-Louise, Himmel, Michael, Widmalm, Göran, Cesàro, Attilio, Brady, John W.
Formato: Artigo
Idioma:Inglês
Publicado em: 2012
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3477616/
https://ncbi.nlm.nih.gov/pubmed/22897449
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp303910u
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