Zobrazeno 1 - 10
of 21
pro vyhledávání: '"Luis Leyva‐Parra"'
Autor:
Kevin Taype-Huanca, Manuel I. Osorio, Diego Inostroza, Luis Leyva-Parra, Lina Ruíz, Ana Valderrama-Negrón, Jesús Alvarado-Huayhuaz, Osvaldo Yañez, William Tiznado
Publikováno v:
Biophysica, Vol 4, Iss 2, Pp 182-194 (2024)
This study explored the inhibitory potential of gallium maltolate against severe acute respiratory syndrome coronavirus 2 and main and papain-like proteases. Computational methods, including density functional theory and molecular docking, were used
Externí odkaz:
https://doaj.org/article/3631f23a8bcd4da3bf4a22a4c62d393a
Autor:
Luis Leyva-Parra, Ricardo Pino-Rios
Publikováno v:
ACS Omega, Vol 9, Iss 1, Pp 1436-1442 (2023)
Externí odkaz:
https://doaj.org/article/43810635caa5493395f14ec016d41837
Autor:
Diego Inostroza, Luis Leyva-Parra, Osvaldo Yañez, Andrew L. Cooksy, Venkatesan S. Thimmakondu, William Tiznado
Publikováno v:
Chemistry, Vol 5, Iss 3, Pp 1535-1545 (2023)
This study scrutinizes the complexities of designing and exploring the potential energy surfaces of systems containing more than twenty atoms with planar tetracoordinate carbons (ptCs). To tackle this issue, we utilized an established design rule to
Externí odkaz:
https://doaj.org/article/8379e50b417d49b4921777a434e28b82
Autor:
Diego Inostroza, Luis Leyva-Parra, Osvaldo Yañez, José Solar-Encinas, Alejandro Vásquez-Espinal, Maria Luisa Valenzuela, William Tiznado
Publikováno v:
Atoms, Vol 11, Iss 3, p 56 (2023)
Here, we present evidence that the D2h M2C50/2+ (M = Li-K, Be-Ca, Al-In, and Zn) species comprises planar hexacoordinate carbon (phC) structures that exhibit four covalent and two electrostatic interactions. These findings have been made possible usi
Externí odkaz:
https://doaj.org/article/feced9c699644e98903492b5d3e3afb3
Autor:
José Solar-Encinas, Alejandro Vásquez-Espinal, Luis Leyva-Parra, Osvaldo Yañez, Diego Inostroza, Maria Luisa Valenzuela, Walter Orellana, William Tiznado
Publikováno v:
Molecules, Vol 28, Iss 1, p 236 (2022)
Here, it is shown that the M3B12 (M = Cu-Au) clusters’ global minima consist of an elongated planar B12 fragment connected by an in-plane linear M3 fragment. This result is striking since this B12 planar structure is not favored in the bare cluster
Externí odkaz:
https://doaj.org/article/7177d2dfeff64294bfd032078f23e6f6
Autor:
Luis Leyva-Parra, Diego Inostroza, Osvaldo Yañez, Julio César Cruz, Jorge Garza, Víctor García, William Tiznado
Publikováno v:
Atoms, Vol 10, Iss 1, p 27 (2022)
Recently, we reported a series of global minima whose structures consist of carbon rings decorated with heavier group 14 elements. Interestingly, these structures feature planar tetracoordinate carbons (ptCs) and result from the replacement of five o
Externí odkaz:
https://doaj.org/article/290d9395589e4eeb92185ff03385dd95
Autor:
Diego Inostroza, Luis Leyva-Parra, Alejandro Vásquez-Espinal, Julia Contreras-García, Zhong-Hua Cui, Sudip Pan, Venkatesan S. Thimmakondu, William Tiznado
Publikováno v:
Chemical Communications. 58:13075-13078
A systematic exploration of the potential energy surface reveals two global minima with three planar tetra coordinate carbons (ptCs) and two global minima with three quasi-ptCs for E6C15 (E = Si–Pb) combinations.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0d3ca61216b637633480291e61226ef0
https://doi.org/10.1039/d2cc04915e
https://doi.org/10.1039/d2cc04915e
Autor:
Rodolfo Pumachagua-Huertas, Jorge Barroso, Gabriel Merino, Diego Inostroza, Luis Leyva-Parra, William Tiznado, Osvaldo Yañez, Alejandro Vásquez-Espinal, Luz Diego
Publikováno v:
Chemistry – A European Journal. 27:16701-16706
After exploring the potential energy surfaces of Mm CE2p (E=S-Te, M=Li-Cs, m=2, 3 and p=m-2) and Mn CE3q (E=S-Te, M=Li-Cs, n=1, 2, q=n-2) combinations, we introduce 38 new global minima containing a planar hypercoordinate carbon atom (24 with a plana
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::68ff02b9f68a67c9d6d3ae7ec8e897a9
https://doi.org/10.1002/chem.202102864
https://doi.org/10.1002/chem.202102864
Autor:
José, Solar-Encinas, Alejandro, Vásquez-Espinal, Luis, Leyva-Parra, Osvaldo, Yañez, Diego, Inostroza, Maria Luisa, Valenzuela, Walter, Orellana, William, Tiznado
Publikováno v:
Molecules (Basel, Switzerland). 28(1)
Here, it is shown that the M
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::3e952f9c0767016989d346dc9426bbee
https://pubmed.ncbi.nlm.nih.gov/36615438
https://pubmed.ncbi.nlm.nih.gov/36615438
Autor:
Diego, Inostroza, Luis, Leyva-Parra, Alejandro, Vásquez-Espinal, Julia, Contreras-García, Zhong-Hua, Cui, Sudip, Pan, Venkatesan S, Thimmakondu, William, Tiznado
Publikováno v:
Chemical communications (Cambridge, England). 58(94)
A systematic exploration of the potential energy surface reveals two global minima with three planar tetra coordinate carbons (ptCs) and two global minima with three quasi-ptCs for E
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::de8d036fdf07928a8ca48e678519fc0a
https://pubmed.ncbi.nlm.nih.gov/36342453
https://pubmed.ncbi.nlm.nih.gov/36342453