A combined experimental and molecular simulation study of factors influencing interaction of quinoa proteins–carrageenan

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dc.contributor.other Zepeda Rivera, Martha. Harvard University; United States: for English correction in the manuscript.
dc.contributor.other Rice University; United States: for the computing hours
dc.contributor.other University College Dublin; Ireland.
dc.creator Montellano Duran, Natalia
dc.creator Spelzini, Darío
dc.creator Wayllace, Natanel
dc.creator Boeris, Valeria
dc.creator Baroso da Silva, Fernando
dc.date.accessioned 2018-06-08T16:53:38Z
dc.date.available 2018-06-08T16:53:38Z
dc.date.issued 2018-02-01
dc.identifier.issn 0141-8130 es
dc.identifier.uri http://hdl.handle.net/2133/11424
dc.description The interaction between quinoa proteins isolate (QP isolate) and the negatively charged polysaccharide ι-Carragennan (Carr) as a function of pH was studied. Experimental measurements as turbidity, hydrophobic surface, ζ-potential, and hydrodynamic size were carried out. Associative interaction between QP and Carr was found in the pH range between 1 and 2.9. When both molecules are negatively charged (pH > 5,5), a pure Coulombic repulsion regime is observed and the self-association of QP due to the Carr exclusion is proposed. In the intermediate pH range, the experimental data suggests that the charge regulation mechanism can overcome the electrostatic repulsion that may take place (and an attraction between QP and Carr can still be observed). Computational simulations by means of free energy derivatives using the Monte Carlo method were carried out to better understand the interaction mechanism between QP and Carr. QP was modeled as a single protein using one of the major proteins, Chenopodin (Ch), and Carr was modeled as a negatively charged polyelectrolyte (NCP) chain, both in the cell model framework. Simulation results showed attractive interactions in agreement with the experimental data. es
dc.description.sponsorship Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET) es
dc.description.sponsorship Agencia Nacional de Promoción Científica y Tecnológica, PICT 2014-1571 es
dc.description.sponsorship Universidad Nacional de Rosario, BIO385, BIO430 es
dc.description.sponsorship Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP), Grant no. 2015/ 16116-3 es
dc.description.sponsorship University of São Paulo, NAP-CatSinQ (Research Core in Catalysis and Chemical Synthesis) es
dc.format application/pdf
dc.format.extent 949-956 es
dc.language.iso eng es
dc.publisher Elsevier es
dc.rights openAccess es
dc.rights.uri https://creativecommons.org/licenses/by-nc-nd/4.0/deed.es *
dc.subject Carrageenan es
dc.subject Quinoa Proteins es
dc.subject Complex Formation es
dc.title A combined experimental and molecular simulation study of factors influencing interaction of quinoa proteins–carrageenan es
dc.type article
dc.type artículo
dc.type acceptedVersion
dc.rights.holder Montellano Duran, Natalia es
dc.rights.holder Spelzini, Darío es
dc.rights.holder Wayllace, Natanel es
dc.rights.holder Boeris, Valeria es
dc.rights.holder Baroso da Silva, Fernando es
dc.rights.holder Universidad Nacional de Rosario es
dc.rights.holder Elsevier es
dc.relation.publisherversion https://www.sciencedirect.com/science/article/pii/S0141813017319864?via%3Dihub es
dc.relation.publisherversion https://dx.doi.org/10.1016/j.ijbiomac.2017.09.076 es
dc.rights.text Atribución-NoComercial-SinDerivadas 4.0 Internacional (CC BY-NC-ND 4.0) es
dc.citation.title International Journal of Biological Macromolecules es
dc.citation.volume 107 es
dc.description.fil Fil: Montellano Duran, Natalia. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Área Fisicoquímica; Argentina. es
dc.description.fil Fil: Montellano Duran, Natalia. Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET); Argentina. es
dc.description.fil Fil: Spelzini, Darío. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Área Fisicoquímica; Argentina. es
dc.description.fil Fil: Spelzini, Darío. Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET); Argentina. es
dc.description.fil Fil: Spelzini, Darío. Universidad Católica Argentina. Facultad Católica de Química e Ingeniería del Rosario; Argentina. es
dc.description.fil Fil: Wayllace, Natanel. Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET); Argentina. es
dc.description.fil Fil: Wayllace, Natanel. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Área Fisicoquímica; Argentina. es
dc.description.fil Fil: Boeris, Valeria. Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET); Argentina. es
dc.description.fil Fil: Boeris, Valeria. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Área Fisicoquímica; Argentina. es
dc.description.fil Fil: Boeris, Valeria. Pontificia Universidad Católica Argentina. Facultad de Química e Ingeniería del Rosario; Argentina. es
dc.description.fil Fil: Baroso da Silva, Fernando. University College Dublin. School of Physics. Institute for Discovery and CECAM-IRL; Ireland. es
dc.description.fil Fil: Baroso da Silva, Fernando. University of São Paulo. School of Pharmaceutical Sciences at Ribeirão Preto. Department of Physics and Chemistry; Brazil. es
dc.description.fil Fil: Baroso da Silva, Fernando. North CarolinaState University. Department of Chemical and Biomolecular Engineering; United States. es
lom.educational.context Superior no universitario es
lom.educational.context Grado es
lom.educational.context Posgrado es
lom.educational.context Centro CyT es
lom.educational.difficulty Dificil es
lom.educational.interactivity mixta es
lom.educational.typicalAgeRange todas las edades es


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