( E )-2-Benzylidenecyclanones: Part XX-Reaction of Cyclic Chalcone Analogs with Cellular Thiols: Unexpected Increased Reactivity of 4-Chromanone- Compared to 1-Tetralone Analogs in... von Bognár, Gábor, Kenari, Fatemeh, Pintér, Zoltán, Borges, Igor D, Camargo, Ademir J, Oliveira, Heibbe C B, Sanches-Neto, Flávio Olimpio, Carvalho-Silva, Valter H, Napolitano, Hamilton B, Perjési, Pál

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Stereodynamical Origin of Anti-Arrhenius Kinetics: Negative Activation Energy and Roaming for a Four-Atom Reaction von Coutinho, Nayara D, Silva, Valter H. C, de Oliveira, Heibbe C. B, Camargo, Ademir J, Mundim, Kleber C, Aquilanti, Vincenzo

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New Insights on Glutathione's Supramolecular Arrangement and Its In Silico Analysis as an Angiotensin-Converting Enzyme Inhibitor von Aguiar, Antônio S N, Borges, Igor D, Borges, Leonardo L, Dias, Lucas D, Camargo, Ademir J, Perjesi, Pál, Napolitano, Hamilton B

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Stereodirectional Origin of anti-Arrhenius Kinetics for a Tetraatomic Hydrogen Exchange Reaction: Born–Oppenheimer Molecular Dynamics for OH + HBr von Coutinho, Nayara D, Aquilanti, Vincenzo, Silva, Valter H. C, Camargo, Ademir J, Mundim, Kleber C, de Oliveira, Heibbe C. B

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Structural and Theoretical Investigation of Anhydrous 3,4,5-Triacetoxybenzoic Acid von Carvalho, Jr, Paulo S, Almeida, Leonardo R, Araújo Neto, João H, Medina, Ana Carolina Q D, Menezes, Antonio C S, Sousa, José E F, Oliveira, Solemar S, Camargo, Ademir J, Napolitano, Hamilton B

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Synthesis and Structural Studies of Two New Anthracene Derivatives von Costa, Rogério F., Oliveira, Marilene S., Aguiar, Antônio S. N., Custodio, Jean M. F., Di Mascio, Paolo, Sabino, José R., Verde, Giuliana V., Souza, João Carlos Perbone de, Santin, Lauriane G., Camargo, Ademir J., Barbosa, Inaya C., Oliveira, Solemar S., Napolitano, Hamilton B.

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Insights on Potential Photoprotective Activity of Two Butylchalcone Derivatives: Synthesis, Spectroscopic Characterization and Molecular Modeling von Aguiar, Antônio S. N., Dias, Pablo G. M., Queiroz, Jaqueline E., Firmino, Pollyana P., Custódio, Jean M. F., Dias, Lucas D., Aquino, Gilberto L. B., Camargo, Ademir J., Napolitano, Hamilton B.

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( E )-2-Benzylidenecyclanones: Part XIX. Reaction of ( E )-2-(4'-X-Benzylidene)-1-tetralones with Cellular Thiols: Comparison of Thiol Reactivities of Open-Chain Chalcones and Thei... von Kenari, Fatemeh, Pintér, Zoltán, Molnár, Szilárd, Borges, Igor D, Camargo, Ademir J, Napolitano, Hamilton B, Perjési, Pál

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Exploring the aqueous solubility and intermolecular interactions of diclofenac Diethylammonium: A molecular modeling study in solid state and solvation processes von C. C. Rodrigues, Allane, Sallum, Lóide O., S. N. Aguiar, Antônio, Camargo, Ademir.J., C. B. Oliveira, Heibbe, Napolitano, Hamilton B.

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Ab Initio Molecular Dynamics Simulations of Aqueous Glucosamine Solutions: Solvation Structure and Mechanism of Proton Transfer from Water to Amino Group von Camargo, Lilian T. F. de M, Signini, Roberta, Rodrigues, Allane C. C, Lopes, Yago Francisco, Camargo, Ademir J

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Methanol Solvation Effect on the Proton Rearrangement of Curcumin’s Enol Forms: An Ab Initio Molecular Dynamics and Electronic Structure Viewpoint von Santin, Lauriane G, Toledo, Eduardo M, Carvalho-Silva, Valter H, Camargo, Ademir J, Gargano, Ricardo, Oliveira, Solemar S

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Molecular modeling and nonlinear optical properties of new isostructural halogenated dihydroquinolinones von Sallum, Loide O, Valverde, Clodoaldo, Andrade, Igor L, D'Oliveira, Giulio D. C, Perez, Caridad N, Camargo, Ademir J, Osório, Francisco A. P, Fonseca, Tertius L, Napolitano, Hamilton B

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Molecular basis of two pyrimidine-sulfonylurea herbicides: from supramolecular arrangement to acetolactate synthase inhibition von Aguiar, Antônio S.N., Costa, Rogério F., Borges, Leonardo L., Dias, Lucas D., Camargo, Ademir J., Napolitano, Hamilton B.

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Contribution of Directional Dihydrogen Interactions in the Supramolecular Assembly of Single Crystals: Quantum Chemical and Structural Investigation of C17H17N3O2 Azine von de Almeida, Leonardo R, Carvalho, Paulo S, Napolitano, Hamilton B, Oliveira, Solemar S, Camargo, Ademir J, Figueredo, Andreza S, de Aquino, Gilberto L. B, Carvalho-Silva, Valter H

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Structural basis of antibacterial photodynamic action of curcumin against S. aureus von Dias, Lucas D., Aguiar, Antônio S.N., de Melo, Nícolas J., Inada, Natalia M., Borges, Leonardo L., de Aquino, Gilberto L.B., Camargo, Ademir J., Bagnato, Vanderlei S., Napolitano, Hamilton B.

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Explicit Aqueous Solvation Treatment of Epinephrine from Car–Parrinello Molecular Dynamics: Effect of Hydrogen Bonding on the Electronic Absorption Spectrum von Neto, Arsênio P. V, Machado, Daniel F. Scalabrini, Lopes, Thiago O, Camargo, Ademir J, de Oliveira, Heibbe C. B

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Structure–activity relationship of tacrine and its analogues in relation to inhibitory activity against Alzheimer’s disease von Vieira, Ingrid, Camargo, Lilian T. F. M., Ribeiro, Luciano, Rodrigues, Allane C. C., Camargo, Ademir J.

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Effect of ortho- and para-chlorine substitution on hydroxychlorochalcone von Costa, Rogério F., Aguiar, Antônio S. N., Borges, Igor D., Ternavisk, Ricardo, Valverde, Clodoaldo, Camargo, Ademir J., Braz, Delson, Napolitano, Hamilton B., Oliveira, Solemar S.

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Theoretical Studies on the Glucosamine: A Systematic Review von T. F. M. Camargo, Lilian, J. Camargo, Ademir

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A new isostructural halogenated chalcone with optical properties von Ludovico, Gabriela S., Barros, Itallo H. S., Sallum, Loide O., Lima, Rosa S., Valverde, Clodoaldo, Camargo, Ademir J., Baseia, Basílio, Napolitano, Hamilton B.

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