Zobrazeno 1 - 10
of 22
pro vyhledávání: '"Miguel A. F. de Souza"'
Publikováno v:
Physical Chemistry Chemical Physics. 23:5583-5595
Understanding the mechanism responsible for peroxides decomposition is essential to explain several biochemical processes. The mechanisms of the intrinsic reactions between the superoxide radical anion (O2˙-) and methyl, ethyl, and tert-butyl hydrop
Autor:
Miguel A. F. de Souza, Alexandra Lindner, Renata Mendonça Araújo, Fabrício G. Menezes, Mireia M. Azevedo, Vanderlei G. Machado, Gutto Raffyson Silva de Freitas, Erivaldo P. da Costa, Lívia N. Cavalcanti, Lilian C. da Silva
Publikováno v:
Journal of Molecular Structure. 1195:936-943
The one-pot synthesis of nine novel polyfunctionalized quinoxaline derivatives starting from l -ascorbic acid is described. Reaction products were obtained in moderate to good yields (65–84%) for an interesting scope of aldehydes after four synthet
Autor:
Leila Maria Aguilera Campos, Sérgio Ruschi Bergamachi Silva, Heloise Oliveira Medeiros de Araújo Moura, Enrique Rodríguez-Castellón, Miguel A. F. de Souza, Luciene Santos de Carvalho, Rafael Viana Sales
Publikováno v:
Adsorption. 26:189-201
Molecular dynamics simulation performed by the DFT/ONIOM method and X-ray photoemission spectroscopy (XPS) data were employed for studying the adsorbate-adsorbent interaction system in diesel desulfurization over Ag/MCM-41 produced from beach sand si
Autor:
André H. de Oliveira, Fabrício G. Menezes, Jordan K. da Silva, Miguel A. F. de Souza, Rodrigo Cristiano, Welisson P. Silva, Julio Cezar de Oliveira Freitas
Publikováno v:
Journal of Molecular Structure. 1180:399-405
Self-assembly-based molecular structures have proven to be highly relevant to the development of soft materials. This work reports the synthesis, thermal behavior and computational analysis of two novel heterocyclic compounds with a non-symmetrical s
Publikováno v:
Chemical Physics Letters. 787:139282
Autor:
Renata Mendonça Araújo, Renata Martins Braga, Julio Cezar de Oliveira Freitas, Miguel A. F. de Souza, Paulo Henrique Silva Santos Moreira
Publikováno v:
Industrial Crops and Products. 116:144-149
The use of residues generated during agro-processing to produce valuable products is in the concept of biorefinery applied in recent times. This concept is attractive for being an alternative to solve disposal issues while processing a more added val
Autor:
Rosangela de Carvalho Balaban, Wanessa D.L. Santos, Bruno B. Castro, Rafael da Silva Fernandes, Djalan F. de Lima, Miguel A. F. de Souza
Publikováno v:
Desalination. 515:115201
The present work aimed to evaluate water-soluble cellulose-derivative polymers as calcium carbonate scale inhibitors using univariate and multivariate methods. The performance of the products was evaluated through a dynamic tube blocking system, and
Autor:
Norberto K.V. Monteiro, Fabrício G. Menezes, Sara E. Coelho, Miguel A. F. de Souza, Josiel B. Domingos, Gutto Raffyson Silva de Freitas, Davi Serradella Vieira, Lívia N. Cavalcanti, Jannyely M. Neri
Publikováno v:
The Journal of Physical Chemistry A. 121:7414-7423
The acidity of organic compounds is highly relevant to understanding several biological processes. Although the relevance and challenges in estimating pKa values of organic acids is recognized by several reported works in the literature, there is a l
Publikováno v:
International Journal of Mass Spectrometry. 418:140-147
The mechanisms and ionic product distributions related to multiple channels of the X− + CH3ONO2 (X = NCCH2, CH3C(O)CH2, and PhCH2) gas phase reactions were investigated at the B2PLYP/6–311 + G(3df,2p)//MP2/6–31 + G(d,p) level of theory. The rea
Autor:
Silmar A. do Monte, Miguel A. F. de Souza, Elizete Ventura, José M. Riveros, Ezequiel F. V. Leitão
Publikováno v:
ChemistryOpen
Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
The mechanism of the O2 ⋅− and H2O2 reaction (Haber–Weiss) under solvent‐free conditions has been characterized at the DFT and CCSD(T) level of theory to account for the ease of this reaction in the gas phase and the formation of two differen