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dc.contributor.authorRietveld, Ivo B.
dc.contributor.authorBarrio Casado, María del
dc.contributor.authorTamarit Mur, José Luis
dc.contributor.authorDo, Bernard
dc.contributor.authorCéolin, René
dc.contributor.otherUniversitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear
dc.date.accessioned2012-01-11T13:07:11Z
dc.date.available2012-01-11T13:07:11Z
dc.date.created2011-11-02
dc.date.issued2011-11-02
dc.identifier.citationRietveld, I. [et al.]. Enantiomer resolution by pressure increase: inferences from experimental and topological results for the binary enantiomer system (R)- and (S)-mandelic acid. "Journal of physical chemistry B", 02 Novembre 2011, vol. 115, núm. 49, p. 14698-14703.
dc.identifier.issn1520-6106
dc.identifier.urihttp://hdl.handle.net/2117/14472
dc.description.abstractIn pharmacy, racemic compounds are often problematic, because generally only one of the enantiomers possesses therapeutic activity and it is often difficult to separate them. Even though this problem is likely as old as the pharmaceutical industry, one thermodynamically obvious way of separating racemic crystals has never been studied experimentally, which is by using pressure. Data have been obtained on the equilibria of the (R)- and (S)-mandelic acid system as a function of pressure and temperature. With the use of thermodynamic arguments including the Clapeyron, Schr€oder, and Prigogine Defay equations, it has been demonstrated that the conglomerate (crystals of separated enantiomers) becomes more stable than the racemic compound at approximately 0.64 GPa and 460 K. Even though this pressure is still higher than at the bottom of the Mariana Trench, there are no technical obstacles to produce such conditions, making pressure a viable option for separating enantiomers.
dc.format.extent6 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::Enginyeria química::Indústria dels processos químics
dc.subjectÀrees temàtiques de la UPC::Física::Física molecular
dc.subject.lcshCrystals
dc.subject.lcshEnantiomers--Separation
dc.titleEnantiomer resolution by pressure increase: inferences from experimental and topological results for the binary enantiomer system (R)- and (S)-mandelic acid
dc.typeArticle
dc.subject.lemacFísica molecular
dc.subject.lemacIndústria farmacèutica
dc.contributor.groupUniversitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials
dc.identifier.doi10.1021/jp209328d
dc.relation.publisherversionhttp://cataleg.upc.edu/record=b1216643~S1*cat
dc.rights.accessRestricted access - publisher's policy
local.identifier.drac8761168
dc.description.versionPostprint (published version)
local.citation.authorRietveld, I.; Del Barrio, M.; Tamarit, J.; Do, B.; Céolin, R.
local.citation.publicationNameJournal of physical chemistry B
local.citation.volume115
local.citation.number49
local.citation.startingPage14698
local.citation.endingPage14703


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