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Por favor, use este identificador para citar o enlazar a este item: http://hdl.handle.net/10261/171092
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dc.contributor.authorPérez Torralba, Marta-
dc.contributor.authorSanz, Dionisia-
dc.contributor.authorClaramunt, Rosa M.-
dc.contributor.authorAlkorta, Ibon-
dc.contributor.authorDardonville, Christophe-
dc.contributor.authorElguero, José-
dc.date.accessioned2018-10-16T10:41:27Z-
dc.date.available2018-10-16T10:41:27Z-
dc.date.issued2018-
dc.identifierdoi: 10.1016/j.tet.2018.02.041-
dc.identifierissn: 1464-5416-
dc.identifier.citationTetrahedron 74: 3937-3942 (2018)-
dc.identifier.urihttp://hdl.handle.net/10261/171092-
dc.description.abstractTwo samples of fosfomycin salts, the calcium and the disodium ones, were used to record their NMR spectra both in solution and in the solid state. The existence of fosfomycin in a neutral and two ionized structures (mono and dianion) was considered to interpret the spectra that were solved using the GIAO calculated chemical shifts of the minimum energy conformations. Although the starting materials were dianions, the spectra in solution show the presence of monoanions.-
dc.description.sponsorshipThis work has been supported by the Spanish Ministerio de Economía y Competitividad (Project No. CTQ2015-63997-C2-2-P and CTQ2014-56833-R) and Comunidad Autonoma de Madrid (Project FOTOCARBON, ref S2013/MIT-2841). Computer, storage and other resources from the CTI (CSIC) are gratefully acknowledged. We warmly thank Drs. Francisco Jimenez (Laboratorios ERN), Santiago Segura Jimenez and Carlos Martínez (Ercros Pharmaceutical Division) for the generous gift of a sample of calcium fosfomycin. Dr. Felipe Reviriego, Institute of Polymer Science and Technology (ICTP-CSIC), provided us with a sample of PEG 6000-
dc.publisherElsevier-
dc.relationinfo:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2015-63997-C2-2-P-
dc.rightsclosedAccess-
dc.subjectFosfomycin-
dc.subjectNMR-
dc.subjectSSNMR-
dc.subjectDFT-
dc.subjectGIAO-
dc.subjectPhosphomycin-
dc.titleThe structure of fosfomycin salts in solution and in the solid state by nuclear magnetic resonance spectroscopy and DFT calculations-
dc.typeartículo-
dc.identifier.doi10.1016/j.tet.2018.02.041-
dc.relation.publisherversionMINECO/ICTI2013-2016/CTQ2014-56833-R-
dc.relation.publisherversionhttp://dx.doi.org/10.1016/j.tet.2018.02.041-
dc.date.updated2018-10-16T10:41:28Z-
dc.description.versionPeer Reviewed-
dc.language.rfc3066eng-
dc.contributor.funderMinisterio de Economía, Industria y Competitividad (España)-
dc.contributor.funderComunidad de Madrid-
dc.relation.csicSí-
dc.identifier.funderhttp://dx.doi.org/10.13039/100012818es_ES
dc.identifier.funderhttp://dx.doi.org/10.13039/501100010198es_ES
dc.type.coarhttp://purl.org/coar/resource_type/c_6501es_ES
item.fulltextNo Fulltext-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.openairetypeartículo-
item.cerifentitytypePublications-
item.grantfulltextnone-
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