Search Results - "Barbosa, Thaís M"

Probing the Formation of Wormlike Micelles Formed by Cationic Surfactant with Chlorobenzoate Derivatives by Jora, Manazael Z, de Souza, Renato N, Barbosa, Thaís M, Tormena, Cláudio F, Sabadini, Edvaldo

“…The energy released when tetradecyltrimethylammonium bromide (C14TAB) is combined with different derivatives of chlorobenzoates in an isothermal titration…”
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FESTA: An Efficient Nuclear Magnetic Resonance Approach for the Structural Analysis of Mixtures Containing Fluorinated Species by Castañar, Laura, Moutzouri, Pinelopi, Barbosa, Thaís M, Tormena, Claudio F, Rittner, Roberto, Phillips, Andrew R, Coombes, Steven R, Nilsson, Mathias, Morris, Gareth A

“…In complex mixtures, proton nuclear magnetic resonance (NMR) spectra are often very crowded, making spectral analysis complicated or even impossible,…”
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Rapid Measurement of Heteronuclear Coupling Constants in Complex NMR Spectra by Mycroft, Coral, Dal Poggetto, Guilherme, Barbosa, Thaís M., Tormena, Cláudio F., Nilsson, Mathias, Morris, Gareth A., Castañar, Laura

“…The NMR analysis of fluorine-containing molecules, increasingly widespread due to their importance in pharmaceuticals and biochemistry, poses significant…”
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Mechanistic Aspects on [3+2] Cycloaddition (32CA) Reactions of Azides to Nitroolefins: A Computational and Kinetic Study by Kawamura, Meire Y., Alegre‐Requena, Juan V., Barbosa, Thaís M., Tormena, Cláudio F., Paton, Robert S., Ferreira, Marco A. B.

“…[3+2] cycloadditions of nitroolefins have emerged as a selective and catalyst‐free alternative for the synthesis of 1,2,3‐triazoles from azides. We describe…”
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The Antagonist Effect of Nitrogen Lone Pair: 3JHF versus 5JHF by Barbosa, Thaís M., Viesser, Renan V., Martins, Lucas G., Rittner, Roberto, Tormena, Cláudio F.

“…The long‐range scalar coupling constant between proton and fluorine nuclei, 5JHF, is observed to be larger than 3JHF in the pyrimidinyl moiety of voriconazole…”
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Alkyl Group Effect on the Conformational Isomerism of trans-2-Bromoalkoxycyclohexanes Analyzed by NMR Spectroscopy and Theoretical Calculations by Silla, Josué M, Cormanich, Rodrigo A, Duarte, Claudimar J, Freitas, Matheus P, Ramalho, Teodorico C, Barbosa, Thaís M, Santos, Francisco P, Tormena, Cláudio F, Rittner, Roberto

“…Suitable 3 J H,H coupling constants and theoretical calculations were used to define the conformational preferences of trans-2-bromoalkoxycyclohexanes (alkoxy…”
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Tautomerism in 8-Nitroguanosine Studied by NMR and Theoretical Calculations by Barbosa, Thaís M., Rittner, Roberto, Alexander, Katie, Cosstick, Richard, Abraham, Raymond J.

“…The guanine base in DNA, due to its low oxidation potential, is particularly sensitive to chemical modifications. A large number of guanine lesions have been…”
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Improving the Sensitivity of FESTA Methods for the Analysis of Fluorinated Mixtures by Barbosa, Thaís M, Castañar, Laura, Moutzouri, Pinelopi, Nilsson, Mathias, Morris, Gareth A, Rittner, Roberto, Tormena, Claudio F

“…The analysis of complex mixtures is an important but often intractable problem. When species contain sparse fluorine atoms, NMR spectra of fluorine-containing…”
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Experimental and Theoretical Studies of Intramolecular Hydrogen Bonding in 3‑Hydroxytetrahydropyran: Beyond AIM Analysis by Solha, Daniela C, Barbosa, Thaís M, Viesser, Renan V, Rittner, Roberto, Tormena, Cláudio F

“…The conformational preferences of 3-hydroxytetrahydropyran (1) were evaluated using infrared and nuclear magnetic resonance spectroscopic data in solvents of…”
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Analysis of Canonical Molecular Orbitals to Identify Fermi Contact Coupling Pathways. 1. Through-Space Transmission by Overlap of 31P Lone Pairs by Contreras, Rubén H, Gotelli, Gustavo, Ducati, Lucas C, Barbosa, Thais M, Tormena, Cláudio F

“…In this work, a new approach to studying coupling pathways for the Fermi contact term of NMR spin−spin coupling constants (SSCCs) is presented. It is based on…”
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The Antagonist Effect of Nitrogen Lone Pair: 3 J HF versus 5 J HF by Barbosa, Thaís M., Viesser, Renan V., Martins, Lucas G., Rittner, Roberto, Tormena, Cláudio F.

“…Abstract The long‐range scalar coupling constant between proton and fluorine nuclei, 5 J HF , is observed to be larger than 3 J HF in the pyrimidinyl moiety of…”
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The Antagonist Effect of Nitrogen Lone Pair: 3 JHF versus 5 JHF by Barbosa, Thaís M, Viesser, Renan V, Martins, Lucas G, Rittner, Roberto, Tormena, Cláudio F

“…The long-range scalar coupling constant between proton and fluorine nuclei, 5 JHF , is observed to be larger than 3 JHF in the pyrimidinyl moiety of…”
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Analysis of Canonical Molecular Orbitals to Identify Fermi Contact Coupling Pathways. 1. Through-Space Transmission by Overlap of 31 P Lone Pairs by Contreras, Rubén H., Gotelli, Gustavo, Ducati, Lucas C., Barbosa, Thais M., Tormena, Cláudio F.

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Analysis of canonical molecular orbitals to identify fermi contact coupling pathways. 1. Through-space transmission by overlap of (31)P lone pairs by Contreras, Rubén H, Gotelli, Gustavo, Ducati, Lucas C, Barbosa, Thais M, Tormena, Cláudio F

“…In this work, a new approach to studying coupling pathways for the Fermi contact term of NMR spin-spin coupling constants (SSCCs) is presented. It is based on…”
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