Listar Investigación y Desarrollo por autor "Arrué, Lily"

Mostrando ítems 1-8 de 8

    • Article

      Boron-noble gas covalent bonds in borenium and boronium compounds (2021) 

      Arrué, Lily; Pino-Rios, Ricardo (Royal Society of Chemistry, 2021-03-21)
      The capability of the BH2+parent cation to bind noble gases (Ng) has been evaluated. The results show its potential to form borenium (BH2Ng+) and boronium (BH2Ng2+) cations. Conformational search using the recently developed ...
    • Article

      Experimental and DFT study of natural curcumin derived dyes as n-type sensitizers (2021) 

      Zárate, Ximena P.; González P., Ivan; Caramori, Stefano; Benazzi, Elisabetta; Barra, Tomas; Arrué, Lily; Wu, Yinan; Díaz-Uribe, Carlos Enrique; Vallejo-Lozada, William Andrés; Schott V., Eduardo (Elsevier Ltd, 2021-09-01)
      In this paper, four different bio-inspired curcumin dyes were explored as n-type sensitizers in regenerative TiO2 based photoelectrochemical cells in order to rationalize their structure/performance relationships for solar ...
    • Article

      New Drug Design Avenues Targeting Alzheimer’s Disease by Pharmacoinformatics-Aided Tools (2024) 

      Arrué, Lily; Cigna-Méndez, Alexandra; Barbosa, Tábata; Borrego-Muñoz, Paola; Struve-Villalobos, Silvia; Oviedo, Victoria; Martínez-García, Claudia; Sepúlveda-Lara, Alexis; Millán, Natalia; Márquez Montesinos, José C. E.; ... (MDPI, 2022)
      Neurodegenerative diseases (NDD) have been of great interest to scientists for a long time due to their multifactorial character. Among these pathologies, Alzheimer’s disease (AD) is of special relevance, and despite the ...
    • Article

      On the stability and chemical bond of noble gas halide cations NgX+ (Ng = He – Rn; X = F – I) (2020) 

      Arrué, Lily; Pino-Rios, Ricardo (John Wiley and Sons Inc, 2020-10-24)
      Despite the belief that noble gases (Ng) are completely inert and cannot form stable molecules, a variety of Ng compounds have been reported under laboratory conditions and others were recently detected in the interstellar ...
    • Article

      PSC-db: A Structured and Searchable 3D-Database for Plant Secondary Compounds (2021) 

      Valdés-Jiménez, Alejandro; Peña-Varas, Carlos; Borrego-Muñoz, Paola; Arrué, Lily; Alegría-Arcos, Melissa; Nour-Eldin, Hussam Hassan; Dreyer, Ingo; Núñez-Vivanco, Gabriel; Ramírez, David (NLM (Medline), 2021-02-20)
      Plants synthesize a large number of natural products, many of which are bioactive and have practical values as well as commercial potential. To explore this vast structural diversity, we present PSC-db, a unique plant ...
    • Article

      PSC-db: A Structured and Searchable 3D-Database for Plant Secondary Compounds (2021) 

      Valdés-Jiménez, Alejandro; Peña-Varas, Carlos; Borrego-Muñoz, Paola; Arrué, Lily; Alegría-Arcos, Melissa; Nour-Eldin, Hussam Hassan; Dreyer, Ingo; Núñez-Vivanco, Gabriel; Ramírez, David (NLM (Medline), 2021-02-20)
      Plants synthesize a large number of natural products, many of which are bioactive and have practical values as well as commercial potential. To explore this vast structural diversity, we present PSC-db, a unique plant ...
    • Article

      Quantitative analysis of aromaticity in azines by means of dissected descriptors based on the magnetic criteria (2021) 

      Báez-Grez, Rodrigo; Arrué, Lily; Pino-Rios, Ricardo (Elsevier B.V., 2021-10-16)
      The effect of the systematic replacement of a CH group by an N atom in the aromaticity and stability of a benzene is a question in chemistry that has several answers. In this article we will re-examine the aromaticity using ...
    • Article

      The role played by structural and energy parameters of β-Diketones derivatives as antenna ligands in Eu(III) complexes (2021) 

      Arrué, Lily; Santoyo-Flores, Julián Julián; Pizarro, Nancy; Zárate, Ximena P.; Páez-Hernández, Dayán; Schott V, Eduardo (Elsevier B.V., 2021-06-16)
      Structural and energy parameters role of six β-diketone antennas (symmetry, bulkiness, quenching bonds, donor groups and coordination) were analyzed. Six β-diketone derivatives and its complexes Eu(Phen)(X)3 and Gd(Phen)(X)3(X ...