Zobrazeno 1 - 10 of 17 pro vyhledávání: '"Mauro Alves Bueno"'
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Akademický článek
QSAR-3D e Docking Molecular de Derivados de Ácidos N-arilantranílicos com Atividade Inibitória na Enzima Catepsina L
Autor: Camila da Câmara Lopes, Renato Queiroga Pordeus, Arlene Gonçalves Corrêa, Boaz Galdino de Oliveira, Mauro Alves Bueno
Publikováno v: Orbital: The Electronic Journal of Chemistry, Vol 1, Iss 1, Pp 18-27 (2016)
In this work, a molecular modeling study of N-arylanthranilic acid derivatives with inhibitory action on the Cathepsin L enzyme in presented. Firstly, a 3DQSAR study was carried out in order to identify the most important molecular fields, in particu
Externí odkaz: https://doaj.org/article/cb321ee329e34db8a433f955b4317717
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3
The interplay and strength of the π⋯H F, C⋯H F, F⋯H F and F⋯H C hydrogen bonds upon the formation of multimolecular complexes based on C2H2⋯HF and C2H4⋯HF small dimers
Autor: Mauro Alves Bueno, Leila Cardoso Carvalho, Boaz Galdino de Oliveira
Publikováno v: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 213:438-455
The conception of this theoretical research was idealized aiming to unveil the intermolecular structures of complexes formed by acetylene or ethylene and hydrofluoric acid. At light of computational calculations by using the B3LYP/6-311++G(d,p) metho
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::7d4e878e6ee8cc252cd8c360fc4fe665
https://doi.org/10.1016/j.saa.2019.01.004
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6
QSAR-3D e Docking Molecular de Derivados de Ácidos N-arilantranílicos com Atividade Inibitória na Enzima Catepsina L
Autor: Mauro Alves Bueno, Boaz G. Oliveira, R. Q. Pordeus, Camila da Câmara Lopes, Arlene G. Corrêa
Publikováno v: Orbital: The Electronic Journal of Chemistry, Vol 1, Iss 1, Pp 18-27 (2016)
In this work, a molecular modeling study of N-arylanthranilic acid derivatives with inhibitory action on the Cathepsin L enzyme in presented. Firstly, a 3DQSAR study was carried out in order to identify the most important molecular fields, in particu
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::33f314720b51a281f7c654e017a962b9
http://orbital.ufms.br/index.php/Chemistry/article/view/714
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7
The interplay and strength of the π⋯HF, C⋯HF, F⋯HF and F⋯HC hydrogen bonds upon the formation of multimolecular complexes based on C
Autor: Leila Cardoso, Carvalho, Mauro Alves, Bueno, Boaz Galdino, de Oliveira
Publikováno v: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy. 213
The conception of this theoretical research was idealized aiming to unveil the intermolecular structures of complexes formed by acetylene or ethylene and hydrofluoric acid. At light of computational calculations by using the B3LYP/6-311++G(d,p) metho
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::8f3384993fbf10b451504714b59ce290
https://pubmed.ncbi.nlm.nih.gov/30738351
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8
Asymmetric phase-transfer catalytic sulfanylation of some 2-methylsulfinyl cyclanones. Modeling of the stereochemical course of the aldol reaction of (SS,2S)-2-methylsulfinyl-2-methylsulfanylcyclohexanone
Autor: Paulo R. Olivato, José E. P. Cardoso FilhoJ.E.P. Cardoso Filho, Liliana Marzorati, Blanka Wladislaw, Alessandro Rodrigues, Claudio Di Vitta, Mauro Alves Bueno
Publikováno v: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
Increased diastereoisomeric excesses are obtained for the sulfanylation reactions of some 2-methylsulfinyl cyclanones under phase-transfer catalysis using the chiral catalyst QUIBEC instead of TEBA. The optically pure (SS,2S)-2-methylsulfinyl-2-methy
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5ca39103cdc935535a256bf04ed1cc89
https://doi.org/10.1016/j.tetlet.2010.08.010
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10
Selective Formation of Methyl α-Methylsulfanyl Dimethylphosphonothioacetate and Thiopropanoate by Phase Transfer Catalysis
Autor: Claudio Di Vitta, Blanka Wladislaw, Liliana Marzorati, Mauro Alves Bueno, Isabel C. C. Calegäo
Publikováno v: Phosphorus, Sulfur, and Silicon and the Related Elements. 178:2047-2053
The sulfanylation of methyl dimethylphosphonothioacetate was investigated by a phase transfer catalysis procedure which was shown to be superior to the noncatalytic method. The possibility of electrophilic substitution of the α-sulfanylated phosphon
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3607a086333ce2f2e2bc8ed2b84dff36
https://doi.org/10.1080/10426500390228729
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