Fourier Transform Infrared Spectroscopy and Vibrational Circular Dichroism Assisted Elucidation of the Solution-State Supramolecular Speciation in Racemic and Enantiopure Ketoprofen

Autor: Pilar Gema Rodríguez-Ortega, Magdalena Sánchez-Valera, Juan Jesús López-González, Manuel Montejo

Publikováno v: Applied Spectroscopy. 76:216-227

The molecular structure and solution-state molecular interactions in the popular non-steroidal anti-inflammatory drug, ketoprofen, are extensively studied with the aim of gaining a better understanding of the chemical behavior of its solution state a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a964244f1dbf31a712008d130f369685
https://doi.org/10.1177/00037028211060073

A Mechanism-Based Sphingosine-1-phosphate Lyase Inhibitor

Autor: Daniel Riba, Eduardo Izquierdo, Mireia Casasampere, Gemma Fabriàs, Antonio Delgado, Josefina Casas, José Luis Abad, Juan Jesús López-González, Pilar Gema Rodríguez Ortega, Guillem X. Pons, Manuel Montejo

Publikováno v: Digital.CSIC. Repositorio Institucional del CSIC
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The synthesis of a series of vinylated analogues of sphingosine-1-phosphate together with their unambiguous configurational assignment by VCD methods is reported. Among them, compound RBM10-8 can irreversibly inhibit human sphingosine-1-phosphate lya

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::36440eea6ba4da213345455ef8e2d2b1
http://hdl.handle.net/10261/212234

Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies

Autor: Kane Jacob, Juan Jesús López-González, María Mar Quesada-Moreno, José Elguero, Ibon Alkorta, Rosa M. Claramunt, Juan Ramón Avilés-Moreno, Michel Etienne, Laure Vendier

Publikováno v: Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2017, 19 (2), pp.1632-1643. ⟨10.1039/C6CP04940K⟩
Digital.CSIC. Repositorio Institucional del CSIC
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1H-Indazole derivatives exhibit a remarkable property since some of them form chiral supramolecular structures starting from achiral monomers. The present work deals with the study of three perfluorinated 1H-indazoles that resolve spontaneously as co

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b0a42db5b64aacc8e3f0dbf4e477c644
https://doi.org/10.1039/c6cp04940k

Conformational aspects of polymorphs and phases of 2-propyl-1H-benzimidazole

Autor: José Elguero, X. M. Aretxabaleta, N. de la Pinta, Juan Ramón Avilés-Moreno, Aurora J. Cruz-Cabeza, F. J. Zúñiga, Juan Jesús López-González, María Mar Quesada-Moreno, Rosa M. Claramunt, Tomasz Breczewski

Publikováno v: Digital.CSIC. Repositorio Institucional del CSIC
instname
Zuñiga, F J, Cruz-cabeza, A J, Aretxabaleta, X M, De La Pinta, N, Breczewski, T, Quesada-moreno, M M, Avilés-moreno, J R, López-gonzález, J J, Claramunt, R M & Elguero, J 2018, ' Conformational aspects of polymorphs and phases of 2-propyl-1H-benzimidazole ', IUCrJ, vol. 5, no. 6 . https://doi.org/10.1107/S2052252518011685
IUCrJ, Vol 5, Iss 6, Pp 706-715 (2018)

This paper reports on the polymorphism of 2-propyl-1H-benzimidazole (2PrBzIm) induced by temperature change. Upon heating, an irreversible reconstructive-type phase transition at T = 384 K from the ordered form I (P212121) to a new polymorph, form II

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::88b60160b8c3df8a1a1edc06744ddc10
http://hdl.handle.net/10261/174240

Structural behavior of neutral, protonated, and deprotonated l-valine in aqueous solutions: a combined study using chirality sensitive (VCD) and non sensitive (IR and Raman) vibrational spectroscopies and quantum chemical calculations

Autor: María Mar Quesada-Moreno, Juan Jesús López-González, Juan Ramón Avilés-Moreno

Publikováno v: Tetrahedron: Asymmetry. 26:1314-1327

The aim of this study is to better understand the conformational preference of l -valine [C 5 H 11 NO 2 , (2 S )-2-amino-3-methylbutanoic acid] under three representative pH conditions of 6.00 (zwitterionic species), 1.00 (protonated species, cations

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f56c807195ca6c4eefd08dc0c5920d8f
https://doi.org/10.1016/j.tetasy.2015.10.005