Zobrazeno 1 - 10
of 49
pro vyhledávání: '"Mauricio Alcolea Palafox"'
Autor:
Mauricio Alcolea Palafox, Nataliya P. Belskaya, Lozan T. Todorov, Nadya G. Hristova-Avakoumova, Irena P. Kostova
Publikováno v:
International Journal of Molecular Sciences, Vol 25, Iss 14, p 7964 (2024)
The effect of La, Ce, Pr and Nd ions on four Ln(ligand)3 complexes and at three DFT levels of calculation was analyzed. Four ligands were chosen, three of which were based on the 1,2,3-triazole ring. The DFT methods used were B3LYP, CAM-B3LYP and M06
Externí odkaz:
https://doaj.org/article/817d43db31ee480c8e5143e919844501
Publikováno v:
Pharmaceutics, Vol 15, Iss 12, p 2686 (2023)
1,2,3-triazole skeleton is a valuable building block for the discovery of new promising anticancer agents. In the present work, the molecular structure of the synthesized anticancer drug 2-(4-chlorophenyl)-5-(pyrrolidin-1-yl)-2H-1,2,3-triazole-4-carb
Externí odkaz:
https://doaj.org/article/448617bc96df42149ba8c5ecd73ec06a
Publikováno v:
Antioxidants, Vol 12, Iss 10, p 1872 (2023)
The 1,2,3-triazole derivative 2-(4-chlorophenyl)-5-(pyrrolidin-1-yl)-2H-1,2,3-triazole-4-carboxylic acid with potential anticancer activity was used as a ligand in complex formation with the lanthanum(III) ion. The molecular structure and vibrational
Externí odkaz:
https://doaj.org/article/a91b555934454cc18a9f7a2d7fab70f8
Publikováno v:
International Journal of Molecular Sciences, Vol 24, Iss 18, p 14001 (2023)
The molecular structure and vibrational spectra of six 1,2,3-triazoles-containing molecules with possible anticancer activity were investigated. For two of them, the optimized geometry was determined in the monomer, cyclic dimer and stacking forms us
Externí odkaz:
https://doaj.org/article/f04a328949cd4e4e8c6064a87fcf0c50
Publikováno v:
International Journal of Molecular Sciences, Vol 24, Iss 10, p 8947 (2023)
The peculiarities of the optical properties of 2-aryl-1,2,3-triazole acids and their sodium salts were investigated in different solvents (1,4-dioxane, dimethyl sulfoxide DMSO, methanol MeOH) and in mixtures with water. The results were discussed in
Externí odkaz:
https://doaj.org/article/07c5af6e4bc2476b90ca16678d8a3b6f
Publikováno v:
Pharmaceuticals, Vol 7, Iss 6, Pp 695-722 (2014)
The five tautomers of the drug acyclovir (ACV) were determined and optimised at the MP2 and B3LYP quantum chemical levels of theory. The stability of the tautomers was correlated with different parameters. On the most stable tautomer N1 was carried o
Externí odkaz:
https://doaj.org/article/678a1092a14d4df19553fa9cbb237fcc
Autor:
Josefa Isasi Marín, Maria Lourdes de Pedraza Velasco, Paloma Posada-Moreno, Mauricio Alcolea Palafox
Publikováno v:
Journal of Biomolecular Structure and Dynamics. 40:13759-13777
Proton transfer reactions are a widespread phenomenon in many areas of the life sciences and it is one of the origins of the spontaneous point mutations during DNA replication. Because of its importance, many studies have been reported on these react
Autor:
María Rapp, Yaiza Lozano, Miguel Fernández-Ramos, Josefa Isasi Marín, Mauricio Alcolea Palafox
Advances in biomedical research have increased interest in obtaining and studying new bifunctional materials for use in theragnostic. Here we describe in detail the preparation of new magnetic-fluorescent bifunctional (Y0.9Ln0.1VO4/Fe3O4)@SiO2 and [(
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::982713b66a3480128c0b46dc721a081a
https://eprints.ucm.es/id/eprint/75420/
https://eprints.ucm.es/id/eprint/75420/
Autor:
Andrea Martínez, A. Martínez, S. Gómez, Josefa Isasi Marín, Mauricio Alcolea Palafox, C. Gumiel, M. Peiteado
Publikováno v:
SSRN Electronic Journal.
Autor:
Goutam Brahmachari, Bhagirath Mandal, Mauricio Alcolea Palafox, Swapan Kumar Chandra, Carlos Ferrer, Pablo Arévalo, Indrajit Karmakar
Publikováno v:
Journal of Molecular Structure. 1254:132390