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7:08, sáb nov 23

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EDIÇÃO ATUAL vol. 44, No. 2, 2021



Artigo de Capa
Quim. Nova 2021, 44(2), 180-197

A importância das cumarinas para a química medicinal e o desenvolvimento de compostos bioativos nos últimos anos

Daiana P. Francoª; Thiago M. Pereiraª; Felipe Vitorioª; Nathalia F. Nadurª; Renata B. Lacerdab; Arthur E. Kümmerlea,*

Coumarins are oxygen containing organic heterocyclic with wide range of biological properties such as anticoagulant, anticancer, anti-neurodegenerative, antibacterial, antifungal, antiviral, antidiabetic, antioxidant and anti-inflammatory.

http://dx.doi.org/10.21577/0100-4042.20170654

Publicado online: outubro 15, 2020
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Total access: 2296

Artigo de Contra Capa
Quim. Nova 2021, 44(2), 137-141

Fatty acids analysis and chemotaxonomic considerations of malvoideae (malvaceae) species

Diégina A. Fernandesª, Otemberg S. Chavesª, Yanna C. F. Telesb, Maria de F. Agraª, Maria A. R. Vieirac, Paulo S. S. da Silvac, Marcia O. M. Marquesc and Maria de Fátima Vanderlei de Souzaª*

Fatty acids from extracts of ten Malvoideae (Malvaceae) species analyzed by GC-FID and multivariate analysis.

http://dx.doi.org/10.21577/0100-4042.20170668

Publicado online: novembro 11, 2020
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Total access: 976

Artigo Quim. Nova 2021, 44(2), 129-136

 

Determination of chemical profile of Eugenia dysenterica ice cream using ps-ms and hs-spme/ gc-ms

Mauro R. Silvaa, Lucas G. Freitasª; Henrique de O. P. Mendonçab; Amauri G. Souzab; Hebert V. Pereirac; Rodinei Augustic; Inayara C. A. Lacerdaa; Júlio O. F. Melob;* Raquel L. B. Araújoa


Volatile profile and use of paper spray ionization mass spectrometry for rapid analysis of cagaita (Eugenia dysenterica) ice cream.

http://dx.doi.org/10.21577/0100-4042.20170680

Publicado online: dezembro 1, 2020
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Total access: 2871

Quim. Nova 2021, 44(2), 142-146

 

Theoretical investigations on detonation performance and stability of the difluoroamino-prismane derivatives

Butong Li; Lulin Li; Ju Peng


In past decades, energetic materials attracted much attention for their implication in the military and civilian field. Therefore, difluoroamino substituted prismane is designed and characterized in this paper. Finally, the derivatives with more than three substituent groups are confirmed to be potential high energetic compounds.

http://dx.doi.org/10.21577/0100-4042.20170672

Publicado online: novembro 18, 2020
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Total access: 916

Quim. Nova 2021, 44(2), 147-153

 

A simple green reduction strategy to substitute cadmium in analytical reduction of nitrate in griess-ilosvay method

Alexsandro Antônio Matias; André Fernando de Oliveira; Antônio Augusto Neves; Maria Eliana Lopes Ribeiro de Queiroz


Nitrate to nitrite reduction using aluminum spheres coated with a copper film (Al-Cu) and quantification using the Griess-Ilosvay reagent, an alternative to the reduction with cadmium.

http://dx.doi.org/10.21577/0100-4042.20170669

Publicado online: novembro 11, 2020
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Total access: 708

Quim. Nova 2021, 44(2), 154-160

 

Incorporação de rodamina b em membrana de poliamida pelo método da adsorção

Kalil Z. R. de Sousaª; Emerson H. de Fariaª; Liziane Marçalª; Katia J. Ciuffiª; Emiliane G. Ricciª; Lucas A. Rochaª; Eduardo J. Nassara,*; Jorge V. L. Silvab; Marcelo F. Oliveirab; Izaque A. Maiab


The incorporation of the rhodamine B into poliamide pieces obtained by Additive Manufacture at lower concentration at different pH, is not affected the spectroscopic properties of the dye, and can be applied as luminescent sensors and random lasers.

http://dx.doi.org/10.21577/0100-4042.20170670

Publicado online: novembro 11, 2020
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Total access: 1022

Quim. Nova 2021, 44(2), 161-171

 

Comparação entre métodos para determinação de cargas atômicas em sistemas moleculares: a molécula n-{n-(pterina-7-il)carbonilglicil}-l-tirosina (nnpt)

Fernanda Diniz Botelhoª; Roberta Siqueira Soldaini de Oliveiraª; Joyce S. F. D. de Almeidaª; Tanos C. C. Françaa,b,*,;Itamar Borges Jr.a,#


Mean and standard deviation values of atomic charges computed by Mulliken, MBS, Chelp, Chelpg, MK, Hirshfeld, NPA, AIM and DMA methods for the atoms of the indicated molecule.

http://dx.doi.org/10.21577/0100-4042.20170683

Publicado online: dezembro 1, 2020
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Total access: 993

Revisão Quim. Nova 2021, 44(2), 172-179

 

Chlordecone adsorption on functionalized activated carbons: computational chemistry as a tool for understanding the adsorption process

Kenia Melchor-Rodríguezª; Sarra Gaspardb; Ulises Javier Jáuregui-Hazaa,c,*


With the combination of semiempirical, DFT and QTAIM methods it is possible to understand chlordecone adsorption process on activated carbon at different pH and solvation conditions, in order to optimized activated carbons synthesis.

http://dx.doi.org/10.21577/0100-4042.20170666

Publicado online: novembro 6, 2020
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Total access: 1010

Nota Técnica Quim. Nova 2021, 44(2), 198-204

 

Determinação de fósforo em paleossedimentos empregando espectrometria de fluorescência de raios-x portátil

Jacira I. de Mouraa,d, Benedito B. Farias Filhoa,*,, Maria Conceição S. M. Lageb, Christian Rilza S. de Meloª, Wilkins O. de Barrosª, Aníbal Gustavo S. Oliveiraª e Luzia Maria S. Carvalhoc


Analytical method using portable X-Ray Fluorescence was optimized for direct determination of phosphorus in archaeological sediment samples of the Serra da Capivara National Park, Piauí, Brazil.

http://dx.doi.org/10.21577/0100-4042.20170633

Publicado online: setembro 10, 2020
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Total access: 1460

Quim. Nova 2021, 44(2), 205-210

 

Sequential multi-element determination of trace-metals in biodiesel samples using hr-cs faas

Alexandre de Jesusª; Ariane V. Zmozinskiª; Diane O. Laroqueª; Márcia M. da Silvaa,b,*


Fast sequential determination of nine trace-metals in biodiesel samples was carried out with microemulsions as sample preparation. Biodiesel samples from different sources were analysed by high-resolution continuum source flame atomic absorption spectrometry.

http://dx.doi.org/10.21577/0100-4042.20170678

Publicado online: novembro 26, 2020
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Total access: 895

Quim. Nova 2021, 44(2), 211-216

 

Simple and fast determination for gamma-hydroxybutyrate (ghb) in urine sample by lle and gc-ms

André Valle de Bairrosa,*,, Gustavo Andrade Ugaldeª and Mauricio Yonamineb


Gamma-hydroxybutyrate (GHB) is a depressant drug used as Drug-Facilitated Crime (DFC) and urine is the biological matrix of choice for toxicological analysis involving DFC. A simple and ultra-fast methodology for GHB determination in urine samples by GC-MS was developed.

http://dx.doi.org/10.21577/0100-4042.20170644

Publicado online: setembro 21, 2020
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Total access: 954

Educação Quim. Nova 2021, 44(2), 217-223

 

Curcumina como indicador natural de ph: uma abordagem teórica-experimental para o ensino de química

Drielly E. T. B. de Oliveiraª; Leonardo A. B. Bezerraª; Romário J. Oliveiraª; Vitocley B. de Moraesª; Juliana Angeiras Batista da Silvaa,b; João R. de Freitas Filhoª; Juliano C. Rufino Freitasa,c; Clécio S. Ramosa,*,


This work describes the development of a simple experiment with easily accessible and low cost materials, enabling its practice with or without laboratory infrastructure, with feasibility for experimental theoretical study.

http://dx.doi.org/10.21577/0100-4042.20170625

Publicado online: setembro 1, 2020
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Total access: 2062

Quim. Nova 2021, 44(2), 224-228

 

Orbitals in general chemistry, part i: the great debate

Guy Lamoureuxa,b,*,; John F. Ogilviea,c,d


The presentation of orbitals in General Chemistry has been debated for many years. We review previous arguments for and against the teaching of orbitals in this paper.

http://dx.doi.org/10.21577/0100-4042.20170649

Publicado online: outubro 8, 2020
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Total access: 820

Quim. Nova 2021, 44(2), 229-234

 

Introdução às redes neurais para regressões não-lineares: ajuste de superfícies de energia potencial

Eduardo D. Vicentini; Antonio G. Sampaio de Oliveira-Filho*


An educational introduction to the subject of neural networks is presented as a tool for non-linear regression, by an application in potential energy surfaces.

http://dx.doi.org/10.21577/0100-4042.20170650

Publicado online: outubro 8, 2020
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Total access: 926

Assuntos Gerais Quim. Nova 2021, 44(2), 235-255

 

Huisgen and his adventures in a playground of mechanisms and novel reactions

Daniel T. G. Gonzagaª; Luana da S. M. Forezib; Carolina G. de S. Limab; Patricia G. Ferreira; c Fernando de C. da Silva;b Vitor F. Ferreirac,*,


In honor of the work developed by Huisgen, in this review we provide an overview on the applications of 1,3-dipolar cycloaddition reactions for the preparation of five-membered heterocyclic compounds, starting with the seminal examples in the field and further discussing the most recent applications.

http://dx.doi.org/10.21577/0100-4042.20170656

Publicado online: outubro 14, 2020
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Total access: 1812

Quim. Nova 2021, 44(2), 256-266

 

Wilhelm ostwald para além do antiatomismo

Letícia dos Santos Pereiraa,*,; Olival Freire Jr.b; Artur José Santos Mascarenhasª; Gisela Boeckc


The chemist Wilhelm Ostwald had for a long time his scientific contributions eclipsed by his rejection to atomic theory. It is time to understand his role for chemistry, highlighting his chemical investigations as well as his efforts for spreading physical chemistry.

http://dx.doi.org/10.21577/0100-4042.20170645

Publicado online: setembro 30, 2020
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Total access: 1477

On-line version ISSN 1678-7064 Printed version ISSN 0100-4042
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