Zobrazeno 1 - 10 of 51 pro vyhledávání: '"Fabio Luiz Paranhos Costa"'
2
Revisiting the structure of Heliannuol L: A computational approach
Autor: Jordana T. Brito, Fabio Luiz Paranhos Costa, Rodolfo G. Fiorot, Ana Carolina Ferreira de Albuquerque, Alessandra L. Valverde, Lucas H. Martorano, Carlos Magno R. Ribeiro, José Walkimar de M. Carneiro, Fernando Martins dos Santos Junior
Publikováno v: Magnetic Resonance in Chemistry. 60:434-441
Recently, structural elucidation of natural products has undergone a revolution. The combined use of different modern spectroscopic methods has allowed obtaining a complete structural assignment of natural products using small amounts of sample. Howe
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a278da3b92ab7f2f936d918a202fd4ec
https://doi.org/10.1002/mrc.5230
Zobrazit plný text záznamu
3
Hormones Nanofiltration in Carbon Nanotubes and Boron Nitride Nanotubes Using Uniform External Electric Field Through Molecular Dynamics
Autor: Rosely Maria dos Santos Cavaleiro, Tarciso Silva de Andrade Filho, Rosivaldo S. Borges, Tais Souza Sá Pereira, Antonio Maia de Jesus Chaves Neto, Raul Nunes de Carvalho Junior, Fabio Luiz Paranhos Costa, Tiago da Silva Arouche, Phelipe Seiichi Martins Tanoue
Publikováno v: Journal of Nanoscience and Nanotechnology. 21:5499-5509
Hormones are a dangerous group of molecules that can cause harm to humans. This study based on classical molecular dynamics proposes the nanofiltration of wastewater contaminated by hormones from a computer simulation study, in which the water and th
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3e0248bdca76654f682c2f47e05da8bf
https://doi.org/10.1166/jnn.2021.19467
Zobrazit plný text záznamu
6
Structural characterisation of natural products by means of quantum chemical calculations of NMR parameters: new insights
Autor: Alessandra L. Valverde, Lucas H. Martorano, Rodolfo G. Fiorot, Gunar Vingre da Silva Mota, Ana Carolina Ferreira de Albuquerque, Fabio Luiz Paranhos Costa, Luciano M. Lião, José Walkimar de M. Carneiro, Fernando Martins dos Santos Junior
Publikováno v: Organic Chemistry Frontiers. 8:2019-2058
In the early 2000s, the first articles regarding the calculation of NMR parameters for natural products appeared in the literature. Since then, modelling 1H and 13C chemical shifts and spin–spin coupling constants for this class of compounds has ex
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::5bf6c3f2aa73e3fd02e4dfd56ac8ac48
https://doi.org/10.1039/d1qo00034a
Zobrazit plný text záznamu
8
Carbon-13 Nuclear Magnetic Resonance Chemical Shift Calculation Protocol Applied to Rigid Triterpenes Molecules
Autor: Fabio Luiz Paranhos Costa, Antonio Maia de Jesus Chaves Neto, Rênica Alves de Morais Rocha, Thaís Forest Giacomello, Gunar Vingre da Silva Mota
Publikováno v: Advanced Science, Engineering and Medicine. 12:995-1001
Nuclear magnetic resonance spectroscopy is one of the most powerful experimental techniques for obtaining three-dimensional structures of complex molecules, mainly for the analysis of the relative and absolute configurations of organic compounds. For
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::4b66cd4fb2a5730b0763a28707a4906f
https://doi.org/10.1166/asem.2020.2636
Zobrazit plný text záznamu
9
Gauge-Including-Atomic-Orbitals-mPW1PW91/6-31G(d) Scaling Factor as a Satisfactory Cost-Effectiveness Ratio for H-1 Nuclear Magnetic Resonance Chemical Shift Calculations
Autor: Ana Carolina Ferreira de Albuquerque, Gunar Vingre da Silva Mota, Evani Ferreira Cardoso, Fabio Luiz Paranhos Costa, Antonio Maia de Jesus Chaves Neto
Publikováno v: Advanced Science, Engineering and Medicine. 12:1095-1101
Recently, several users of nuclear magnetic resonance spectroscopy have considered the employing of quantum chemical methods in the spectra predictions, since these methods are now well developed and implemented in popular program packages. Based on
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::649fd86ee02f1a7068182d5a0f2bca6c
https://doi.org/10.1166/asem.2020.2652
Zobrazit plný text záznamu
10
Experimental and Theoretical Nuclear Magnetic Resonance Data from Tryptanthrin, an Alkaloid with Potential Activity Against Human Coronavirus
Autor: Sidnei Bessa de Oliveira Fernandes, Breno Almeida Soares, Fabio Boylan, Gunar Vingre da Silva Mota, Catharina Eccard Fingolo, Thaís Forest Giacomello, Antonio Maia de Jesus Chaves Neto, Fabio Luiz Paranhos Costa, Marcelo Ricardo Souza Siqueira
Publikováno v: Advanced Science, Engineering and Medicine. 12:963-969
Coronaviruses belong to the subfamily Coronavirinae, which are large viruses with a single Ribonucleic acid tape and a nucleocapsid. In a recent study it was found that the molecule of tryptanthrin has antiviral potential against human coronavirus NL
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::911f4c4390d5aa53371dea1347178627
https://doi.org/10.1166/asem.2020.2638
Zobrazit plný text záznamu

Vyhledávací nástroje:

Upřesnit hledání

Omezení vyhledávání
Plný text Recenzováno Digitální knihovna AV ČR
Zdroje