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Overall stability for the ibuprofen racemate: experimental and topological results leading to the pressure-temperature phase relationships between its racemate and conglomerate
dc.contributor.author | Rietveld, Ivo B. |
dc.contributor.author | Barrio Casado, María del |
dc.contributor.author | Do, Bernard |
dc.contributor.author | Tamarit Mur, José Luis |
dc.contributor.author | Céolin, René |
dc.contributor.other | Universitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear |
dc.date.accessioned | 2012-06-29T10:38:45Z |
dc.date.created | 2012-05-10 |
dc.date.issued | 2012-05-10 |
dc.identifier.citation | Rietveld, I. [et al.]. Overall stability for the ibuprofen racemate: experimental and topological results leading to the pressure-temperature phase relationships between its racemate and conglomerate. "Journal of physical chemistry B", 10 Maig 2012, vol. 116, núm. 18, p. 5568-5574. |
dc.identifier.issn | 1089-5647 |
dc.identifier.uri | http://hdl.handle.net/2117/16161 |
dc.description.abstract | Enantiomer resolution is much sought after for pharmaceutical applications, because many optically active drug molecules have only one pharmaceutically active enantiomer. Although it is always possible to force separation, it will come at a cost. The present method, based on thermodynamics, provides a relatively easy approach to investigate whether separation can be thermodynamically spontaneous. A topological phase diagram of the binary enantiomer system at 0.5 mol-fraction is constructed as a function of temperature and pressure after analysis of pressure and heat related quantities. It is demonstrated that for ibuprofen, an optically active analgesic, the racemate is the only stable solid form; the phase relationship between the racemate and the conglomerate is analogous to dimorphism with overall monotropy in pure chemical compounds. |
dc.format.extent | 7 p. |
dc.language.iso | eng |
dc.rights | Attribution-NonCommercial-NoDerivs 3.0 Spain |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/es/ |
dc.subject | Àrees temàtiques de la UPC::Ciències de la salut::Medicina::Farmacologia |
dc.subject | Àrees temàtiques de la UPC::Física::Termodinàmica |
dc.subject.lcsh | Pharmacology |
dc.subject.lcsh | Anti-inflammatory agents |
dc.subject.lcsh | Thermodynamics |
dc.title | Overall stability for the ibuprofen racemate: experimental and topological results leading to the pressure-temperature phase relationships between its racemate and conglomerate |
dc.type | Article |
dc.subject.lemac | Termodinàmica -- Aplicacions |
dc.subject.lemac | Medicaments -- Investigació |
dc.contributor.group | Universitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials |
dc.identifier.doi | 10.1021/jp302508g |
dc.relation.publisherversion | http://pubs.acs.org/doi/pdf/10.1021/jp302508g |
dc.rights.access | Restricted access - publisher's policy |
local.identifier.drac | 10440194 |
dc.description.version | Postprint (published version) |
dc.date.lift | 10000-01-01 |
local.citation.author | Rietveld, I.; Del Barrio, M.; Do, B.; Tamarit, J.; Céolin, R. |
local.citation.publicationName | Journal of physical chemistry B |
local.citation.volume | 116 |
local.citation.number | 18 |
local.citation.startingPage | 5568 |
local.citation.endingPage | 5574 |
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