Publications

Journal Articles and Book Chapters

Papers

    2017 Papers

    BAGGIO, ALAN R. ; Machado, Daniel F. S. ; CARVALHO-SILVA, VALTER H. ; PATERNO, LEONARDO G. ; DE OLIVEIRA, HEIBBE CRISTHIAN B. . Rovibrational spectroscopic constants of the interaction between ammonia and metallo-phthalocyanines: a theoretical protocol for ammonia sensor design. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v. 1, p. 1-1, 2017.

    ALMEIDA, LEONARDO R. ; ANJOS, MURILO M. ; RIBEIRO, GABRIELA C. ; VALVERDE, CLODOALDO ; Machado, Daniel F. S. ; Oliveira, Guilherme R. ; NAPOLITANO, HAMILTON B. ; DE OLIVEIRA, HEIBBE C. B. . Synthesis, structural characterization and computational study of a novel amino chalcone: a potential nonlinear optical material. NEW JOURNAL OF CHEMISTRY, v. 41, p. 1744-1754, 2017.

    RODRIGUES, THYAGO S. ; LESAGE, DENIS ; DA SILVA, WENDER A. ; COLE, RICHARD B. ; EBELING, GÜNTER ; DUPONT, JAÏRTON ; DE OLIVEIRA, HEIBBE C. B. ; EBERLIN, MARCOS N. ; Neto, Brenno A. D. . Charge-tagged N-heterocyclic carbenes (NHC): Direct transfer from ionic liquid solutions and long-lived nature in the gas phase. JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, v. 28, p. 1021-1029, 2017.

    VALVERDE, CLODOALDO ; RODRIGUES, ROSEMBERG F. N. ; Machado, Daniel F. S. ; BASEIA, BASÍLIO ; DE OLIVEIRA, HEIBBE C. B. . Effect of the crystalline environment on the third-order nonlinear optical properties of L-arginine phosphate monohydrate: a theoretical study. JOURNAL OF MOLECULAR MODELING, v. 23, p. 122, 2017.

    Machado, Daniel F. S. ; SILVA, RODRIGO A. L. ; DE OLIVEIRA, ANA PAULA ; CARVALHO-SILVA, VALTER H. ; Gargano, Ricardo ; Ribeiro, Luciano ; DE OLIVEIRA, HEIBBE C. B. . A novel analytical potential function for dicationic diatomic molecular systems based on deformed exponential function. JOURNAL OF MOLECULAR MODELING, v. 23, p. 182, 2017.

    2016 Papers

    MOTA, ALBERTO A. R. ; Corrêa, José R. ; Carvalho, Pedro H. P. R. ; DE SOUSA, NÚBIA M. P. ; DE OLIVEIRA, HEIBBE C. B. ; Gatto, Claudia C. ; DA SILVA FILHO, DEMÉTRIO A. ; DE OLIVEIRA, ALINE L. ; Neto, Brenno A. D. . Synthesis, Structure, Properties, and Bioimaging of a Fluorescent Nitrogen-Linked Bisbenzothiadiazole. Journal of Organic Chemistry, v. 81, p. 2958-2965, 2016.

    Machado, Daniel F. S. ; LOPES, THIAGO O. ; LIMA, IGO T. ; DA SILVA FILHO, DEMÉTRIO A. ; DE OLIVEIRA, HEIBBE C. B. . Strong Solvent Effects on the Nonlinear Optical Properties of and Isomers from Azo-Enaminone Derivatives. Journal of Physical Chemistry. C, v. 31, p. acs.jpcc.6b01567-17669, 2016.

    COUTINHO, NAYARA D. ; AQUILANTI, VINCENZO ; Silva, Valter H. C. ; Camargo, Ademir J. ; Mundim, Kleber C. ; DE OLIVEIRA, HEIBBE C. B. . Stereodirectional Origin of -Arrhenius Kinetics for a Tetraatomic Hydrogen Exchange Reaction: Born-Oppenheimer Molecular Dynamics for OH + HBr. The Journal of Physical Chemistry. A, v. 120, p. 5408-5417, 2016.

    AMADOR, DAVI H.T. ; de Oliveira, Heibbe C.B. ; SAMBRANO, JULIO R. ; Gargano, Ricardo ; DE MACEDO, LUIZ GUILHERME M. . 4-Component correlated all-electron study on Eka-actinium Fluoride (E121F) including Gaunt interaction: Accurate analytical form, bonding and influence on rovibrational spectra. Chemical Physics Letters (Print), v. 662, p. 169-175, 2016.

    CARVALHO-SILVA, VALTER H. ; AQUILANTI, VINCENZO ; DE OLIVEIRA, HEIBBE C. B. ; Mundim, Kleber C. . Deformed transition-state theory: Deviation from Arrhenius behavior and application to bimolecular hydrogen transfer reaction rates in the tunneling regime. JOURNAL OF COMPUTATIONAL CHEMISTRY, v. 38, p. 178-188, 2016.

    2015 Papers

    COUTINHO, NAYARA D. ; Silva, Valter H. C. ; Mundim, Kleber C. ; DE OLIVEIRA, HEIBBE C. B. . Description of the effect of temperature on food systems using the deformed Arrhenius rate law: deviations from linearity in logarithmic plots vs. inverse temperature. REND LINCEI-SCI FIS, v. 26, p. 141-149, 2015.

    COUTINHO, NAYARA DANTAS ; Silva, Valter Henrique Carvalho ; DE OLIVEIRA, HEIBBE C. B. ; Camargo, Ademir J. ; MUNDIM, KLEBER CARLOS ; AQUILANTI, VINCENZO . Stereodynamical Origin of Anti-Arrhenius Kinetics: Negative Activation Energy and Roaming for a Four-Atom Reaction. Journal of Physical Chemistry Letters, v. 6, p. 150407132853004, 2015.

    ALVIM, HALINE G. O. ; DE OLIVEIRA, HEIBBE C. B. ; BATAGLION, GIOVANA A. ; EBERLIN, MARCOS N. ; Ramos, Luciana M. ; SILVA, WENDER A. . Synthesis of 2-arylbenzimidazoles under mild conditions catalyzed by a heteropolyacid-containing task-specific ionic liquid and catalyst investigation by electrospray (tandem) mass spectrometry. RSC Advances: an international journal to further the chemical sciences, v. 5, p. 69418-69422, 2015.

    MOTA, ALBERTO A. R. ; Corrêa, José R. ; LOPES, THIAGO O. ; OLIVEIRA, HEIBBE C. B. DE ; D. NETO, BRENNO A. . Theoretical Photophysics (DFT) of Fluorescent Benzothiadiazole Probes. Revista Virtual de Química, v. 7, p. 357, 2015.

    Machado, Daniel F. S. ; LOPES, THIAGO O. ; BAGGIO, A. R. ; Silva, Valter H. C. ; de Oliveira, H. C. B. . Cálculo das Constantes Espectroscópicas e Espectro Rovibracional da Molécula de Cl2 em Diferentes Estados Eletrônicos. Revista Processos Químicos, v. 8, p. 21-26, 2015.

    VALVERDE, C. ; Moreira, G. E. ; ALVES, G. H. S ; de Oliveira, H. C. B. . O uso de frações contínuas na associação infinita de resistores: uma abordagem descomplicada. Revista de Ensino de Ciências e Engenharia, v. 6, p. 34, 2015.

    2014 Papers

    MEDEIROS, GISELE A. ; DA SILVA, WENDER A. ; BATAGLION, GIOVANA A. ; FERREIRA, DAVI A. C. ; DE OLIVEIRA, HEIBBE C. B. ; EBERLIN, MARCOS N. ; Neto, Brenno A. D. . Probing the mechanism of the Ugi four-component reaction with charge-tagged reagents by ESI-MS(/MS). Chemical Communications (London. 1996. Print), v. 50, p. 338, 2014.

    ALVIM, HALINE ; DE LIMA, TATIANI B. ; DE OLIVEIRA, ALINE L. ; DE OLIVEIRA, HEIBBE C. B. ; SILVA, FABRICIO M. ; GOZZO, FABIO C ; SOUZA, ROBERTO Y. ; DA SILVA, WENDER ALVES ; Neto, Brenno A. D. . Facts, Presumptions and Myths on the Solvent-Free and Catalyst-Free Biginelli Reaction. What is Catalysis for?. Journal of Organic Chemistry, v. 79, p. 140325145336006, 2014

    ALVIM, HALINE G.O. ; BATAGLION, GIOVANA A. ; Ramos, Luciana M. ; DE OLIVEIRA, ALINE L. ; de Oliveira, Heibbe C.B. ; EBERLIN, MARCOS N. ; DE MACEDO, JULIO L. ; DA SILVA, WENDER A. ; NETO, BRENNO A.D. . Task-specific ionic liquid incorporating anionic heteropolyacid-catalyzed Hantzsch and Mannich multicomponent reactions. Ionic liquid effect probed by ESI-MS(/MS). Tetrahedron (Oxford. Print), v. 70, p. 3306-3313, 2014.

    RODRIGUES, THYAGO S. ; Silva, Valter H. C. ; LALLI, PRISCILA M. ; DE OLIVEIRA, HEIBBE C. B. ; DA SILVA, WENDER A. ; COELHO, FERNANDO ; EBERLIN, MARCOS N. ; Neto, Brenno A. D. . Morita-Baylis-Hillman Reaction: ESI-MS(/MS) Investigation with Charge Tags and Ionic Liquid Effect Origin Revealed by DFT Calculations. Journal of Organic Chemistry, v. 79, p. 5239-5248, 2014.

    DA CRUZ, EDUARDO H. G. ; Carvalho, Pedro H. P. R. ; Corrêa, José R. ; SILVA, DIEGO A. C. ; DIOGO, EMILAY B. T. ; DE SOUZA FILHO, JOSÉ D. ; CAVALCANTI, BRUNO C. ; PESSOA, CLAUDIA ; DE OLIVEIRA, HEIBBE C. B. ; GUIDO, BRUNA C. ; DA SILVA FILHO, DEMÉTRIO A. ; Neto, Brenno A. D. ; DA SILVA JÚNIOR, EUFRÂNIO N. . Design, synthesis and application of fluorescent 2,1,3-benzothiadiazole-triazole-linked biologically active lapachone derivatives. New Journal of Chemistry (1987), v. 38, p. 2569, 2014.

    Neto, Brenno A. D. ; SANTOS, MARCELO R. ; DUTRA, ROMULO C. ; GODOI, MARLA N. ; MONTEIRO, ADRIANO ; OLIVEIRA, HEIBBE C. B. ; EBERLIN, MARCOS N . Phosphine-free Heck reaction: mechanistics insights and catalysis on water with a charge-tagged palladium complex. New Journal of Chemistry (1987), v. n/a, p. n/a, 2014.

    MOTA, ALBERTO ; GATTO, CLAUDIA C ; MACHADO, GIOVANNA ; DE OLIVEIRA, HEIBBE C. B. ; FASCIOTTI, MAÍRA ; BIANCHI, O. ; EBERLIN, MARCOS N. ; Neto, Brenno A. D. . Structural Organization and Supramolecular Interactions of the Task-specific Ionic Liquid 1-Methyl-3-Carboxymethylimidazolium Chloride: Solid, Solution and Gas Phase Structures. Journal of Physical Chemistry. C, v. 118, p. 140715095433000, 2014

    MOTA, ALBERTO A. R. ; Carvalho, Pedro H. P. R. ; GUIDO, BRUNA C. ; DE OLIVEIRA, HEIBBE C. B. ; SOARES, THEREZA A. ; Corrêa, José R. ; Neto, Brenno A. D. . Bioimaging, cellular uptake and dynamics in living cells of a lipophilic fluorescent benzothiadiazole at low temperature (4 °C). Chemical Science: a new journal for findings of exceptional significance from across the chemical sciences, v. 5, p. 3995, 2014.

    LOPES, THIAGO O. ; DA SILVA FILHO, DEMÉTRIO A. ; LAPIS, ALEXANDRE A. M. ; DE OLIVEIRA, HEIBBE C. B. ; Neto, Brenno A. D. . Designed non-symmetrical 4,7-pi-extended-2,1,3-benzothiadiazole derivatives: Synthesis guided by DFT predictions. Journal of Physical Organic Chemistry (Print), v. 27, p. n/a-n/a, 2014.

    Carvalho, Pedro H. P. R. ; CORREA, JOSE R. ; GUIDO, BRUNA C. ; Gatto, Claudia C. ; DE'OLIVEIRA, HEIBBE C. B. ; SOARES, THEREZA A. ; Neto, Brenno A. D. . Designed Benzothiadiazole Fluorophores for Selective Mitochondrial Imaging and Dynamics. Chemistry - A European Journal, v. 20, p. n/a-n/a, 2014.

    SALLUM, LÓIDE O. ; NAPOLITANO, HAMILTON B. ; CARVALHO, PAULO DE SOUSA ; CIDADE, AMANDA FEITOSA ; DE AQUINO, GILBERTO LUCIO BENEDITO ; COUTINHO, NAYARA D. ; Camargo, Ademir J. ; ELLENA, JAVIER ; DE OLIVEIRA, HEIBBE C. B. ; Silva, Valter H. C. . Effect of the Methanol Molecule on the Stabilization of C 18 H 18 O 4 Crystal: Combined Theoretical and Structural Investigation. The Journal of Physical Chemistry. A, v. 118, p. 10048-10056, 2014.

    Neto, Brenno A. D. ; MOTA, ALBERTO A. R. ; Gatto, Claudia C. ; MACHADO, GIOVANNA ; FASCIOTTI, MAÍRA ; OLIVEIRA, HEIBBE C. B. DE ; FERREIRA, DAVI A. C. ; BIANCHI, OTAVIO ; EBERLIN, MARCOS N. . Solid, Solution and Gas Phase Interactions of an Imidazolium-Based Task-Specific Ionic Liquid Derived from Natural Kojic Acid. Journal of the Brazilian Chemical Society (Impresso), v. 25, p. 2280, 2014.

    2013 Papers

    DA FONSÊCA, JOSÉ ERINALDO ; DE OLIVEIRA, HEIBBE CRISTHIAN B. ; DA CUNHA, WILIAM FERREIRA ; Gargano, Ricardo . Alternative analytical forms to model diatomic systems based on the deformed exponential function. Journal of Molecular Modeling (Print), v. 20, p. 2297, 2014.

    Ramos, Luciana M. ; GUIDO, BRUNA C. ; NOBREGA, CATHARINE C. ; Corrêa, José R. ; Silva, Rafael G. ; DE'OLIVEIRA, HEIBBE C. B. ; GOMES, ALEXANDRE F. ; GOZZO, FÁBIO C. ; Neto, Brenno A. D. . The Biginelli Reaction with an Imidazolium-Tagged Recyclable Iron Catalyst: Kinetics, Mechanism, and Antitumoral Activity. Chemistry (Weinheim. Print), v. 19, p. 4156-4168, 2013.

    LIMA, JOSÉ M. M. ; Silva, Valter H. C. ; CAMARGO, LILIAN T. F. M. ; OLIVEIRA, HEIBBE C. B. ; Camargo, Ademir J. . Theoretical investigation on ruthenium tetraazaporphyrin as potential nitric oxide carrier in biological systems. Journal of Molecular Modeling (Print), v. 19, p. 1727-1737, 2013.

    ALVIM, HALINE G. O. ; DE LIMA, TATIANI B. ; DE OLIVEIRA, HEIBBE C. B. ; GOZZO, FABIO C. ; DE MACEDO, JULIO L. ; ABDELNUR, PATRICIA V. ; SILVA, WENDER A. ; Neto, Brenno A. D. . Ionic Liquid Effect over the Biginelli Reaction under Homogeneous and Heterogeneous Catalysis. ACS CATAL, v. 3, p. 1420-1430, 2013.

    ALVIM, HALINE G. O. ; FAGG, EMMA L. ; DE OLIVEIRA, ALINE L. ; DE OLIVEIRA, HEIBBE C. B. ; FREITAS, SONIA M. ; XAVIER, MARY-ANN E. ; SOARES, THEREZA A. ; GOMES, ALEXANDRE F. ; GOZZO, FABIO C. ; SILVA, WENDER A. ; Neto, Brenno A. D. . Probing deep into the interaction of a fluorescent chalcone derivative and bovine serum albumin (BSA): an experimental and computational study. Organic & Biomolecular Chemistry, v. 11, p. 4764, 2013.

    Rangel, Fernando C. ; MAMIYA, ARTHUR A. ; DE OLIVEIRA, HEIBBE C. B. ; VIEIRA, FERNANDO M. C. ; Mundim, Kleber C. . Alternative Approach to Calculate Two-Center Overlap Matrix through Deformed Exponential Function. The Journal of Physical Chemistry. A, v. 117, p. 130717152420003, 2013.

    Neto, Brenno A. D. ; VIANA, BARBARA F. L. ; RODRIGUES, THYAGO S. ; LALLI, PRISCILA M. ; EBERLIN, MARCOS N. ; DA SILVA, WENDER A. ; DE OLIVEIRA, HEIBBE C. B. ; Gatto, Claudia C. . Condensed, solution and gas phase behaviour of mono- and dinuclear 2,6-diacetylpyridine (dap) hydrazone copper complexes probed by X-ray, mass spectrometry and theoretical calculations. Dalton Transactions (2003. Print), v. 42, p. 11497, 2013.

    Silva, Valter H.C. ; AQUILANTI, VINCENZO ; de Oliveira, Heibbe C.B. ; Mundim, Kleber C. . Uniform description of non-Arrhenius temperature dependence of reaction rates, and a heuristic criterion for quantum tunneling vs classical non-extensive distribution. Chemical Physics Letters (Print), v. 590, p. 201-207, 2013.

    CARVALHO-SILVA, VALTER H. ; Mundim, Kleber C. ; de Oliveira, H. C. B. . Termodinâmica de Não-Equilíbrio em Cinética de Reações Químicas. REVISTA PROCESSOS QUÍMICOS, v. 14, p. 9, 2013.