Search Results - "Costa, Fabio Luiz Paranhos"

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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Combined application of DP4+ and ANN‐PRA to determine the relative configuration of natural products: The alpha‐bisabol case study by Santos, Fernando Martins, Silva Mota, Gunar Vingre, Martorano, Lucas Haidar, Albuquerque, Ana Carolina Ferreira, Silva, Claudinei Alves, Silva, Adalberto Manoel, Jesus Chaves Neto, Antônio Maia, Valverde, Alessandra Leda, Cardoso, Evani Ferreira, Costa, Fabio Luiz Paranhos

“…The combination of computational methods and experimental data from Nuclear Magnetic Resonance (NMR) is a considerably valuable tool in the elucidation of new…”
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Density functional theory for the thermodynamic gas-phase investigation of butanol biofuel and its isomers mixed with gasoline and ethanol by Martins, Marcelo Gonçalves, da Silva Arouche, Tiago, Neto, Abel Ferreira Gomes, da Cruz, Jorddy Neves, da Costa, Fabio Luiz Paranhos, Fernandes, Lindemberg Lima, de Carvalho Junior, Raul Nunes, da Silva Costa, José Francisco, de Jesus Chaves Neto, Antonio Maia

“…Herein, we present the results of our study on the thermodynamic properties of the isomers of butanol ( n -butanol, 2-butanol, i-butanol, and t -butanol) to…”
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Structure reassignment and absolute configuration of 9- epi-presilphiperfolan-1-ol by Joseph-Nathan, Pedro, Leitão, Suzana Guimarães, Pinto, Shaft Corrêa, Leitão, Gilda Guimarães, Bizzo, Humberto Ribeiro, Costa, Fabio Luiz Paranhos, Amorim, Mauro Barbosa de, Martinez, Natalia, Dellacassa, Eduardo, Hernández-Barragán, Angelina, Pérez-Hernández, Nury

“…Reevaluation of 13C NMR data in combination with X-ray diffraction and VCD studies led us to reassign the structure of (−)- epi-presilphiperfolan-1-ol ( 1),…”
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A theoretical study to the loliolide molecule and its isomers: a study by circular dichroism, QTAIM, and NMR theoretical methods by Vingre da Silva Mota, Gunar, Costa, Fabio Luiz Paranhos

“…The determination of an absolute configuration is a challenge in the structure elucidation of chiral natural products. With advancements in computational…”
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(−)- epi-Presilphiperfolan-1-ol, a new triquinane sesquiterpene from the essential oil of Anemia tomentosa var. anthriscifolia (Pteridophyta) by Pinto, Shaft Corrêa, Leitão, Gilda Guimarães, Bizzo, Humberto Ribeiro, Martinez, Natalia, Dellacassa, Eduardo, dos Santos, Fernando Martins, Costa, Fabio Luiz Paranhos, Amorim, Mauro Barbosa de, Leitão, Suzana Guimarães

“…The isolation and structure elucidation of (−)- epi-presilphiperfolan-1-ol from the essential oil of Anemia tomentosa var. anthriscifolia are reported. (−)-…”
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A Combined Molecular Docking and Density Functional Theory Nuclear Magnetic Resonance Study of Trans-Dehydrocrotonin Interacting with COVID-19 Main Protease and Severe Acute Respiratory Syndrome Coronavirus 2 3C-Like Protease by Cardoso, Evani Ferreira, Giacomello, Thaís Forest, Rocha de Oliveira, Leandro Leal, da Silva, Tiago Arouche, de Jesus Chaves Neto, Antonio Maia, Da Silva Mota, Gunar Vingre, Souza Siqueira, Marcelo Ricardo, Paranhos Costa, Fabio Luiz

“…For the development of drugs that treat SARS-CoV-2, the fastest way is to find potential molecules from drugs already on the market. Unfortunately, there is…”
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Molecular Docking of Azithromycin, Ritonavir, Lopinavir, Oseltamivir, Ivermectin and Heparin Interacting with Coronavirus Disease 2019 Main and Severe Acute Respiratory Syndrome Coronavirus-2 3C-Like Proteases by Arouche, Tiago da Silva, Martins, Anderson Yuri, Ramalho, Teodorico de Castro, Júnior, Raul Nunes Carvalho, Costa, Fabio Luiz Paranhos, Filho, Tarciso Silva de Andrade, Neto, Antonio Maia Jesus Chaves

“…In the current pandemic situation raised due to COVID-19, drug reuse is emerging as the first line of treatment. The viral agent that causes this highly…”
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GIAO‐HDFT scaling factor for 13 C NMR chemical shifts calculation by Costa, Fabio Luiz Paranhos, de Albuquerque, Ana Carolina Ferreira, dos Santos, Fernando Martins, de Amorim, Mauro Barbosa

“…Abstract In this paper, we present a GIAO‐HDFT scaling factor study, in which we intent to investigate the ability of GIAO‐HDFT/cc‐pVDZ to achieve a high…”
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GIAO-HDFT scaling factor for 13C NMR chemical shifts calculation by Costa, Fabio Luiz Paranhos, de Albuquerque, Ana Carolina Ferreira, dos Santos Jr, Fernando Martins, de Amorim, Mauro Barbosa

“…In this paper, we present a GIAO‐HDFT scaling factor study, in which we intent to investigate the ability of GIAO‐HDFT/cc‐pVDZ to achieve a high…”
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Epidemic SIR model on a face-to-face interaction network: new mobility induced phase transitions by Gomes, Paulo Freitas, França, Andrey Gonçalves, Costa, Fábio Luiz Paranhos, Fernandes, Henrique Almeida

“…In this work, we study the epidemic SIR model on a system which takes into consideration face-to-face interaction networks. This approach has been used as…”
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