MAURO ALVES BUENO

Scopus Publications

Potassium complex containing 2,4-dimercaptopyrimidine as ligand: synthesis, x-ray structure and DFT calculations (B3LYP/LanL2DZ)
Wesley Vieira Ferreira, Leandro de Oliveira Amaral, Adailton J. Bortoluzzi, Boaz Galdino de Oliveira, Viner Sousa Lima, Mauro Alves Bueno, and Sergio Macedo Soares
Elsevier BV



Antioxidant, Antibacterial Activities and Phytochemical Composition of the Aerial Parts, Stem and Roots of Gomphrena vaga Mart. from Northeast Brazil
Symone Costa de Castro, Naiara Maia Oliveira, Janiel Ramos de Oliveira, Luciana Lucas Machado, Katyúscya Veloso Leão, and Mauro Alves Bueno
Sociedade Brasileira de Quimica (SBQ)



The definitive challenge of forming uncommon pseudo-π···H–F and C···H–F hydrogen bonds on cyclic and cubic nonpolar hydrocarbons
Gabriel Fateicha Neves Santos, Leila Cardoso Carvalho, Daniel Arley Santos Oliveira, Danilo Guimarães do Rego, Mauro Alves Bueno, and Boaz Galdino de Oliveira
Wiley
AbstractDue to the high symmetry and low polarity of the cyclopropane (C3H6), cyclobutane (C4H8), prismane (C6H6), and cubane (C8H8), it is widely known that these structures unlikely act as proton receptors to form intermolecular interactions with monoprotic acids, such as the hydrogen fluoride. Although the C3H6···HF, C4H8···HF, C6H6···HF, and C8H8···HF are weakly bound complexes, in this current work, all of them were definitively certified on the basis of a theoretical analysis. In according with the structural parameters and spectroscopy modes appraised through the density‐functional theory calculations, the more accentuated perturbations are manifested in the hydrogen fluoride. The new hydrogen bond forms framed as pseudo‐π···H and C···H were unveiled through the calculations of the quantum theory of atoms in molecules and natural bond orbital. In this context, the knowledge about the nature of these hydrogen bonds is necessary, wherein it used the symmetry‐adapted perturbation theory for computing the contributions of the electrostatic, polarization, exchange, dispersion, and charge transfer terms. Lastly, the practical behavior of these hydrocarbons under the condition to form intermolecular interactions was examined by taking into account the solvent effect with calculations of the polarizable continuum model.


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 C <inf>2</inf> H <inf>2</inf> ⋯HF and C <inf>2</inf> H <inf>4</inf> ⋯HF small dimers
Leila Cardoso Carvalho, Mauro Alves Bueno, and Boaz Galdino de Oliveira
Elsevier BV



The influence of h-bonds on chemical reactions: Prileschajew reaction
Mauro A. Bueno and Boaz G. Oliveira
GN1 Sistemas e Publicacoes Ltd.
Theoretical analysis at the BHandHLYP/6-311++G(d,p) level of theory with the support of QTAIM calculations was used to reinvestigate the structure of an intermolecular system formed between ethylene oxide (C2H4O) and formic acid (HCO2H) after the epoxidation known as the Prileschajew reaction. Geometric and infrared vibration results revealed that HO2CH forms a strong hydrogen bond with C2H4O followed by a larger red-shift of the H−O bond. NBO analysis was applied to justify this frequency shift. Finally, QTAIM calculations identified the formation of two hydrogen bonds, namely O···H−O and H···O=C.


Seasonality influence evaluation of metal concentrations in Ondas River watershed - BA




Evaluation of synthetic acridones and 4-quinolinones as potent inhibitors of cathepsins L and v
Emerson F. Marques, Mauro A. Bueno, Patrícia D. Duarte, Larissa R.S.P. Silva, Ariani M. Martinelli, Caio Y. dos Santos, Richele P. Severino, Dieter Brömme, Paulo C. Vieira, and Arlene G. Corrêa
Elsevier BV



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
Alessandro Rodrigues, Blanka Wladislaw, Claudio Di Vitta, José Eduardo Pandini Cardoso Filho, Liliana Marzorati, Mauro Alves Bueno, and Paulo Roberto Olivato
Elsevier BV



Microwave-promoted synthesis of novel N-aryl anthranilic acids
Mauro A. Bueno, Larissa R. S. P. Silva, and Arlene G. Corrêa
FapUNIFESP (SciELO)
Nesse trabalho e relatada a sintese de uma serie de acidos N-aril antranilicos ineditos, com bons a excelentes rendimentos, empregando irradiacao de microondas como fonte de aquecimento para promover a reacao de acoplamento de Ullmann entre acidos antranilicos e brometos de arila contendo grupos substituintes doadores ou aceptores de eletrons.


Synthesis and biological activity of prostaglandin analogs containing heteroatoms in the cyclopentane ring
Francisco Biaggio, Alessandra Rufino, Marcio Zaim, Cristiane Zaim, Mauro Bueno, and Alessandro Rodrigues
Bentham Science Publishers Ltd.



Phase transfer catalysis (PTC) sulfanylation of some 2-methylsulfinyl- cyclanones
Blanka Wladislaw, Mauro Alves Bueno, Liliana Marzorati, Claudio Di Vitta, and Júlio Zukerman-Schpector
American Chemical Society (ACS)
The sulfanylation reactions of 2-methylsulfinylated cyclopentanone, 1-indanone, and cyclohexanone by a PTC procedure are reported and the yields and diastereoselectivity compared to those obtained by the homogeneous-phase method. The stability of the sulfanylated methylsulfinyl derivatives at room temperature versus the instability of the p-tolylsulfinyl derivatives is also reported.


Selective formation of methyl α-methylsulfanyl dimethylphosphonothioacetate and thiopropanoate by phase transfer catalysis
Blanka Wladislaw, Mauro A. Bueno, Liliana Marzorati, Isabel C. Calegão, and Claudio Di Vitta
Informa UK Limited
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 phosphonothioacetate to give a quaternary α-carbon atom is shown by the reaction with methyl iodide. We thank Fundação de Amparo à Pesquisa do Estado de São Paulo for financial support and Conselho Nacional de Desenvolvimento Científico e Tecnológico for scholarships.