Conformational behavior of d-lyxose in gas and solution phases by rotational and NMR spectroscopies

Autor: José I. Santos, Jesús Jiménez-Barbero, Ismael Compañón, Alberto Lesarri, Camilla Calabrese, Emilio J. Cocinero, Francisco J. Basterretxea, Alvaro Cimas, Maider Parra, Montserrat Vallejo-López, Francisco Corzana, Patricia Écija

Publikováno v: Journal of Physical Chemistry Letters
Journal of Physical Chemistry Letters, 2019, 10 (12), pp.3339-3345. ⟨10.1021/acs.jpclett.9b00978⟩
Journal of Physical Chemistry Letters, American Chemical Society, 2019, 10 (12), pp.3339-3345. ⟨10.1021/acs.jpclett.9b00978⟩

Understanding the conformational preferences and intramolecular dynamics of carbohydrates is crucial to explain the interactions with their biological targets and, in turn, to improve their use as therapeutic agents. Herein, we present experimental e

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8d6803f24067952c1103a5837c02a0ff
https://zenodo.org/record/3764819

Six Pyranoside Forms of Free 2-Deoxy-D-ribose

Autor: Adam M. Daly, José L. Alonso, Susana Blanco, Alberto Lesarri, José A. Fernández, Isabel Peña, Santiago Mata, Alvaro Cimas, Patricia Écija, Juan C. López, Emilio J. Cocinero, Celina Bermúdez, Carlos Cabezas, Fernando Castaño, Francisco J. Basterretxea

Publikováno v: Angewandte Chemie. 125:12056-12061

Carbohydrates are one of the most versatile biochemical building blocks, widely acting in energetic, structural, or recognition processes. The interpretation of the biological activity of saccharides is based on the structure and relative stability o

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::11ce33540f69d3cef8125458806fcd22
https://doi.org/10.1002/ange.201305589

Experimental and computational thermochemical studies of benzoxazole and two chlorobenzoxadole derivatives

Autor: Maria D.M.C. Ribeiro da Silva, Alvaro Cimas, Ana L.R. Silva

Publikováno v: The Journal of Chemical Thermodynamics. 57:212-219

The energetic study of benzoxazole, 5-chloro-2-methylbenzoxazole, and 2-chlorobenzoxazole, in condensed and gaseous states, has been developed using experimental techniques and computational approaches. The values of the standard (p° = 0.1 MPa) mola

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f490c9653fd60e25ef39709e8232114c
https://doi.org/10.1016/j.jct.2012.08.028

Experimental and computational study on the molecular energetics of benzyloxyphenol isomers

Autor: Ana I.M.C. Lobo Ferreira, Manuel A.V. Ribeiro da Silva, Alvaro Cimas

Publikováno v: The Journal of Chemical Thermodynamics. 43:1857-1864

This paper reports a combined experimental and computational thermochemical study of 4-benzyloxyphenol. Static bomb combustion calorimetry and Knudsen mass-loss effusion technique were used to determine the standard (p° = 0.1 MPa) molar enthalpy of

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ec652e5393b1cb5a8c315a849c2e243e
https://doi.org/10.1016/j.jct.2011.06.014

A Combined Experimental and Computational Thermodynamic Study of Difluoronitrobenzene Isomers

Autor: Alvaro Cimas, Juliana A.S.A. Oliveira, Ana I.M.C. Lobo Ferreira, Manuel J.S. Monte, Manuel A.V. Ribeiro da Silva

Publikováno v: The Journal of Physical Chemistry B. 114:12914-12925

This work reports the experimental and computational thermochemical study performed on three difluorinated nitrobenzene isomers: 2,4-difluoronitrobenzene (2,4-DFNB), 2,5-difluoronitrobenzene (2,5-DFNB), and 3,4-difluoronitrobenzene (3,4-DFNB). The st

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::43385b4bc3cbc7f7cdb2d0a12301b91f
https://doi.org/10.1021/jp1058885