Search Results - "de Albuquerque, Ana Carolina F."

Revisiting the structure of Heliannuol L: A computational approach by Martorano, Lucas H., Brito, Jordana T., Albuquerque, Ana Carolina F., Ribeiro, Carlos Magno Rocha, Fiorot, Rodolfo Goetze, Carneiro, José Walkimar de Mesquita, Costa, Fabio Luiz Paranhos, Valverde, Alessandra L., Santos Junior, Fernando Martins

“…Recently, structural elucidation of natural products has undergone a revolution. The combined use of different modern spectroscopic methods has allowed…”
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Theoretical study of keto-enol tautomerism in 7-epi-clusianone by quantum chemical calculations of NMR chemical shifts by de Albuquerque, Ana Carolina F., Corrêa, Guilherme S., Albuquerque, Gustavo T., Costa, Fabio Luiz P., Costa, Luciano T., Lage, Mateus R., de M. Carneiro, José Walkimar, dos S. Junior, Fernando Martins

“…Plants from the Garcinia genus have been used worldwide due to their therapeutic properties. Among the various metabolites isolated from this genus, 7- epi…”
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3-Ishwarone, a rare ishwarane sesquiterpene from Peperomia scandens Ruiz & Pavon: structural elucidation through a joint experimental and theoretical study by Junior, Fernando M dos S, Velozo, Leosvaldo S M, de Carvalho, Erika M, Marques, André M, Borges, Ricardo M, Trindade, Ana Paula F, dos Santos, Maria Isabel S, de Albuquerque, Ana Carolina F, Costa, Fabio L P, Kaplan, Maria Auxiliadora C, de Amorim, Mauro B

“…3-Ishwarone, (1), a sesquiterpene with a rare ishwarane skeleton, was isolated from Peperomia scandens Ruiz & Pavon (Piperaceae). Its structure was…”
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Study of the Three-Dimensional Structure of Tryptophan Zipper Peptides through 1H NMR Chemical Shifts Calculations by de Albuquerque, Ana Carolina, dos Santos Jr, Fernando

“…Three-dimensional structures of proteins are intimately linked to their functions, therefore understanding their conformation in solution is essential. While…”
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Absolute configuration reassignment of nectamazin A: Implications to related neolignans by Batista, Andrea N.L., Santos, Carlos Henrique T., de Albuquerque, Ana Carolina F., Santos Jr, Fernando M., Garcez, Fernanda R., Batista Jr, João M.

“…[Display omitted] •Absolute configuration reassignment of a bicyclo(3.2.1)octane neolignan by means of VCD.•First application of VCD to neolignans.•Reasons for…”
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Are we still chasing molecules that were never there? The role of quantum chemical simulations of NMR parameters in structural reassignment of natural products by de Albuquerque, Ana Carolina F., Martorano, Lucas H., dos Santos, Fernando M.

“…Covering: 2019 to 2023. Even with the advent of modern and complementary spectroscopy techniques, comprehensive characterization of natural product continues…”
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Absolute Configuration of (−)-Centratherin, a Sesquiterpenoid Lactone, Defined by Means of Chiroptical Spectroscopy by Junior, Fernando M. S, Covington, Cody L, de Albuquerque, Ana Carolina F, Lobo, Jonathas F. R, Borges, Ricardo M, de Amorim, Mauro B, Polavarapu, Prasad L

“…(−)-Centratherin is a bioactive sesquiterpenoid lactone, whose absolute configuration (AC) was not established, but has been proposed based on those of…”
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Absolute Configuration of (−)-Cubebin, a Classical Lignan with Pharmacological Potential, Defined by Means of Chiroptical Spectroscopy by Macedo, Arthur, Martorano, Lucas, de Albuquerque, Ana Carolina, Fiorot, Rodolfo, Carneiro, José, Campos, Vinicius, Vasconcelos, Thatyana, Valverde, Alessandra, Moreira, Davyson, dos Santos Jr, Fernando

“…This work describes the first determination of the absolute configuration (AC) of (−)-cubebin by means of electronic circular dichroism (ECD), supported by…”
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Use of a theoretical prediction method and quantum chemical calculations for the design, synthesis and experimental evaluation of three green corrosion inhibitors for mild steel by Machado Fernandes, Caio, Pina, Vitoria G.S.S., Alvarez, Leonardo X., de Albuquerque, Ana Carolina F., dos Santos Júnior, Fernando M., Barrios, Adriana M., Velasco, Javier A.C., Ponzio, Eduardo A.

“…[Display omitted] •Theoretical prediction of the corrosion inhibition efficiencies.•Adsorption of the green synthetized molecules on alloy is of…”
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