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dc.contributor.authorSteinke, Nicola
dc.contributor.authorGillams, Richard J.
dc.contributor.authorPardo Soto, Luis Carlos
dc.contributor.authorLorenz, Christian D.
dc.contributor.authorMcLain, Sylvia E.
dc.contributor.otherUniversitat Politècnica de Catalunya. Departament de Física
dc.date.accessioned2017-04-28T13:34:02Z
dc.date.available2017-04-28T13:34:02Z
dc.date.issued2016-02-07
dc.identifier.citationSteinke, N., Gillams, R., Pardo, L., Lorenz, C., McLain, S. Atomic scale insights into urea–peptide interactions in solution. "Physical chemistry chemical physics", 7 Febrer 2016, vol. 18, núm. 5, p. 3862-3870.
dc.identifier.issn1463-9076
dc.identifier.urihttp://hdl.handle.net/2117/103855
dc.description.abstractThe mechanism by which proteins are denatured by urea is still not well understood, especially on the atomic scale where these interactions occur in vivo. In this study, the structure of the peptide GPG has been investigated in aqueous urea solutions in order to understand the combination of roles that both urea and water play in protein unfolding. Using a combination of neutron diffraction enhanced by isotopic substitution and computer simulations, it was found, in opposition with previous simulations studies, that urea is preferred over water around polar and charged portions of the peptides. Further, it appears that while urea directly replaces water around the nitrogen groups on GPG that urea and water occupy different positions around the peptide bond carbonyl groups. This suggests that urea may in fact weaken the peptide bond, disrupting the peptide backbone, thus ultimately causing denaturation.
dc.format.extent9 p.
dc.language.isoeng
dc.rightsAttribution-NonCommercial-NoDerivs 3.0 Spain
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.subjectÀrees temàtiques de la UPC::Física
dc.subject.lcshBiochemistry
dc.subject.otherNEUTRON-DIFFRACTION EXPERIMENTS
dc.subject.otherINDUCED PROTEIN DENATURATION
dc.subject.otherPARTICLE MESH EWALD
dc.subject.otherMOLECULAR-DYNAMICS
dc.subject.otherAQUEOUS-SOLUTION
dc.subject.otherWATER-STRUCTURE
dc.subject.otherLIQUID WATER
dc.subject.otherSCATTERING
dc.subject.otherHYDRATION
dc.subject.otherPOTENTIALS
dc.titleAtomic scale insights into urea–peptide interactions in solution
dc.typeArticle
dc.subject.lemacBioquímica
dc.contributor.groupUniversitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials
dc.identifier.doi10.1039/c5cp06646h
dc.relation.publisherversionhttps://apps-webofknowledge-com.recursos.biblioteca.upc.edu/full_record.do?product=WOS&search_mode=GeneralSearch&qid=8&SID=3B82rjNOqGmtIAHfAnr&page=1&doc=1
dc.rights.accessOpen Access
local.identifier.drac19770180
dc.description.versionPostprint (author's final draft)
local.citation.authorSteinke, N.; Gillams, R.; Pardo, L.; Lorenz, C.; McLain, S.
local.citation.publicationNamePhysical chemistry chemical physics
local.citation.volume18
local.citation.number5
local.citation.startingPage3862
local.citation.endingPage3870


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