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Enantiomer resolution by pressure increase: inferences from experimental and topological results for the binary enantiomer system (R)- and (S)-mandelic acid
dc.contributor.author | Rietveld, Ivo B. |
dc.contributor.author | Barrio Casado, María del |
dc.contributor.author | Tamarit Mur, José Luis |
dc.contributor.author | Do, Bernard |
dc.contributor.author | Céolin, René |
dc.contributor.other | Universitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear |
dc.date.accessioned | 2012-01-11T13:07:11Z |
dc.date.available | 2012-01-11T13:07:11Z |
dc.date.created | 2011-11-02 |
dc.date.issued | 2011-11-02 |
dc.identifier.citation | Rietveld, 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.issn | 1520-6106 |
dc.identifier.uri | http://hdl.handle.net/2117/14472 |
dc.description.abstract | In 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.extent | 6 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::Enginyeria química::Indústria dels processos químics |
dc.subject | Àrees temàtiques de la UPC::Física::Física molecular |
dc.subject.lcsh | Crystals |
dc.subject.lcsh | Enantiomers--Separation |
dc.title | Enantiomer resolution by pressure increase: inferences from experimental and topological results for the binary enantiomer system (R)- and (S)-mandelic acid |
dc.type | Article |
dc.subject.lemac | Física molecular |
dc.subject.lemac | Indústria farmacèutica |
dc.contributor.group | Universitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials |
dc.identifier.doi | 10.1021/jp209328d |
dc.relation.publisherversion | http://cataleg.upc.edu/record=b1216643~S1*cat |
dc.rights.access | Restricted access - publisher's policy |
local.identifier.drac | 8761168 |
dc.description.version | Postprint (published version) |
local.citation.author | Rietveld, I.; Del Barrio, M.; Tamarit, J.; Do, B.; Céolin, R. |
local.citation.publicationName | Journal of physical chemistry B |
local.citation.volume | 115 |
local.citation.number | 49 |
local.citation.startingPage | 14698 |
local.citation.endingPage | 14703 |
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