JBCS



11:20, ter mai 3






Edição Atual vol. 39, No. 3, 2016, p. 261-407

 

New submission procedures for OPEN ACCESS from March 4th, 2016

The Board of Directors of the Sociedade Brasileira de Química-SBQ (publisher of the Química Nova-QN) decided that from March 2016 the JBCS will adopt the full open access format in which authors are required to cover part of the publication costs for their articles. See more...



Artigo de Capa
Quim. Nova 2016, 39(3), 393-405

PERFIL DOS BOLSISTAS DE PRODUTIVIDADE EM PESQUISA NAS SUBÁREAS DA QUÍMICA DO CNPq

Lucilene F. O. Cândido; Natacha C. F. Santos; João B. T da Rocha

Chemistry, its specialties and specificities in research productivity.

http://dx.doi.org/10.5935/0100-4042.20160050

Publicado online: março 18, 2016
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Artigos Quim. Nova 2016, 39(3), 261-266

 

Ba-doped ZnO materials: a DFT simulation to investigate the doping effect on ferroelectricity

Luis H. da S. Lacerda; Sergio R. de Lazaro*


The ferroeletric, optical and structural properties of Ba-doped ZnO materials were evaluated through DFT/B3LYP simulations. Results indicate that the Ba doping improves the ferroelectric properties and causes the band gap reduction of ZnO materials.

http://dx.doi.org/10.5935/0100-4042.20160023

Publicado online: fevereiro 18, 2016
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Quim. Nova 2016, 39(3), 267-272

 

Otimização do processo de transesterificação em duas etapas para produção de biodiesel através do planejamento experimental doehlert

Carla F. C. RuschelI,*; Marco F. FerrãoI,II; Francisco P. Dos SantosI; Dimitrios SamiosI


Biodiesel was produced by TDSP methodology employing Doehlert experimental design. The results were evaluated by surface response and by RMN 1H was obtained conversion values that were interpreted to define what the best parameters of otimization of transesterification reaction.

http://dx.doi.org/10.5935/0100-4042.20160018

Publicado online: fevereiro 17, 2016
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Quim. Nova 2016, 39(3), 273-278

 

Redução de variáveis de entrada de redes neurais artificiais a partir de dados de análise de componentes principais na modelagem de oxigênio dissolvido

Saulo Rodrigues e SilvaI,*; Fernando SchimidtI,II


The original data is reduced by 20%, after processed in PCA, being then represented by 8 Principal Components. The Dissolved Oxigen modeled as from this data results in a better model, if compared to the original.

http://dx.doi.org/10.5935/0100-4042.20160024

Publicado online: fevereiro 18, 2016
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Quim. Nova 2016, 39(3), 279-285

 

Síntese e propriedades de sílicas híbridas contendo surfactantes cetiltrialquilamônio

Ana Flavia P. de Campos; Aurélia Retiella O. Ferreira; Dilson Cardoso*


The graphical abstract represents the hybrid mesoporous silicas containing cetyltrialkylammonium surfactants.

http://dx.doi.org/10.5935/0100-4042.20160033

Publicado online: fevereiro 22, 2016
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Quim. Nova 2016, 39(3), 286-291

 

Obtaining ZnO immobilized over different substrates by hydrothermal treatment for photocatalysis application

Mônica Bagnara*; Jéssica Farias; Marla Azário Lansarin


The synthesis of zinc oxide nanorods on three different substrates was studied. A design of experiments was used to investigate the effect of synthesis variables on morphology and photocatalytic activity of samples.

http://dx.doi.org/10.5935/0100-4042.20160032

Publicado online: fevereiro 19, 2016
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Quim. Nova 2016, 39(3), 292-297

 

Use of a low-cost template-free ZSM-5 for atmospheric petroleum residue pyrolysis

Vinícius P. S. CaldeiraI,*; Anne G. D. SantosI; Sibele B. C. PergherII; Maria J. F. CostaII; Antonio S. AraujoII


On Graphical Abstract demonstrated in the micrographs of both zeolites and the distribution by carbon atom number obtained during the pyrolysis of ATR over ZSM-5 samples.

http://dx.doi.org/10.5935/0100-4042.20160019

Publicado online: fevereiro 17, 2016
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Quim. Nova 2016, 39(3), 298-304

 

Comparação entre funcionais de densidade no estudo de propriedades eletrônicas de derivados da artemisinina

Victor H. S. C. BatistaI; Ana C. GranatoII; Wagner F. D. AngelottiI,*


Multivariate Principal Component Analysis was used to study the artemisinin and two derivatives that were computational analyzed by density functions contained in GAMESS.

http://dx.doi.org/10.5935/0100-4042.20160040

Publicado online: fevereiro 26, 2016
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Quim. Nova 2016, 39(3), 305-309

 

Low cost analyzer for the determination of phosphorus based on open-source hardware and pulsed flows

Pablo GonzálezI; Nicolás PérezII; Moisés KnochenI,*


Use of a pulsed-flow system under control of open-source microcontroller board allows determination of soluble phosphorus levels in levels in industrial samples and effluents.

http://dx.doi.org/10.5935/0100-4042.20160020

Publicado online: fevereiro 17, 2016
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Quim. Nova 2016, 39(3), 310-319

 

Síntese de derivados de fenantridinonas por arilação direta. Caracterização dos espectros de absorção e emissão de exemplos representativos

Roberta L. da Costa; Douglas A. F. da Silva; Nanci C. de Lucas; Simon J. Garden*


Examples of phenanthridinones were prepared by palladium catalyzed direct arylation and the absorption and emission spectra of selected examples were characterized.

http://dx.doi.org/10.5935/0100-4042.20160025

Publicado online: fevereiro 18, 2016
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Quim. Nova 2016, 39(3), 320-327

 

A formação de ligações de hidrogênio π∙∙∙H, F∙∙∙H e C∙∙∙H nos complexos C2H2∙∙∙(HF), C2H2∙∙∙2(HF) e C2H2∙∙∙3(HF)

Boaz G. Oliveira*


Different proton receptors and the possibility to form the π∙∙∙H, F∙∙∙H e C∙∙∙H hydrogen bonds on the C2H2∙∙∙(HF), C2H2∙∙∙2(HF) and C2H2∙∙∙3(HF) complexes.

http://dx.doi.org/10.5935/0100-4042.20160021

Publicado online: fevereiro 17, 2016
PDF Informação suplementar
Revisão Quim. Nova 2016, 39(3), 328-339

 

MATERIAIS VÍTREOS E LUZ: PARTE 1

Marcelo Nalin; Sidney J. L. Ribeiro; Danilo Manzani; Rogéria Rocha Gonçalves; Gael Poirier; Fabia Castro Cassanges; Christiano J. S. de Matos; Cleber R. Mendonça; Leonardo de Boni; Lino Misoguti; Oscar Malta; Yannick Ledemi; Sandra Messaddeq; Younes Messaddeq


Different kinds of structures produced by interaction of fs-laser with chalcogenide glasses having different bandgaps (a) Ge20S80, (b) Ge20Se80 e (c) Ge20Te80.

http://dx.doi.org/10.5935/0100-4042.20160016

Publicado online: fevereiro 5, 2016
PDF
Quim. Nova 2016, 39(3), 340-351

 

MATERIAIS VÍTREOS E LUZ: PARTE 2

Marcelo Nalin; Sidney J. L. Ribeiro; Danilo Manzani; Rogéria Rocha Gonçalves; Gael Poirier; Fabia Castro Cassanges; Christiano J. S. de Matos; Cleber R. Mendonça; Leonardo de Boni; Lino Misoguti; Oscar Malta; Yannick Ledemi; Sandra Messaddeq; Younes Messaddeq


a) Optical microscopy of a waveguide obtained in a glass using fs-laser. b) Light profile from the output signal of the waveguide at 632.8 nm.

http://dx.doi.org/10.5935/0100-4042.20160017

Publicado online: fevereiro 5, 2016
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Nota Técnica Quim. Nova 2016, 39(3), 352-355

 

FAST GC-FID METHOD FOR MONITORING ACIDIC AND BASIC CATALYTIC TRANSESTERIFICATION REACTIONS IN VEGETABLE OILS TO METHYL ESTER BIODIESEL PREPARATION

Renata Takabayashi Sato; Pedro Henrique Fazza Stroppa; Adilson David da Silva; Marcone Augusto Leal de Oliveira


An alternative method, by fast GC-FID, was proposed to analyze fatty acid methyl esters in different biodiesel samples, obtained by acid or basic catalysis transesterification reactions.

http://dx.doi.org/10.5935/0100-4042.20160027

Publicado online: fevereiro 18, 2016
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Educação Quim. Nova 2016, 39(3), 356-370

 

COMPREENSÃO MATEMÁTICA DA DIFUSÃO NO CONTEXTO ELETROQUÍMICO

Sidineia Barrozo; Assis Vicente Benedetti


Diffusion equations in electrochemistry without mysteries: understanding their deductions and resolutions in all the mathematical details in a charge transfer process.

http://dx.doi.org/10.5935/0100-4042.20150179

Publicado online: novembro 25, 2015
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Quim. Nova 2016, 39(3), 371-375

 

AVALIAÇÃO DO USO DE PLANILHAS COMPUTACIONAIS COMO UMA FERRAMENTA DIDÁTICA EM QUÍMICA ANALÍTICA QUALITATIVA

Gabriela B. Denari; Thalita R. Saciloto; Éder T. G. Cavalheiro


Typical result from the use of the spreadsheet software by the students, representing the fraction of phosphoric acid species as a function of pH.

http://dx.doi.org/10.5935/0100-4042.20160029

Publicado online: fevereiro 18, 2016
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Quim. Nova 2016, 39(3), 376-382

 

O CONHECIMENTO PEDAGÓGICO DOS DOCENTES DE QUÍMICA DO ENSINO SUPERIOR

Cátia S. F. Primon; Agnaldo Arroio


Knowledge of teaching chemistry of higher education teachers.

http://dx.doi.org/10.5935/0100-4042.20160009

Publicado online: janeiro 22, 2016
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Quim. Nova 2016, 39(3), 383-392

 

CASOS INVESTIGATIVOS E A RELAÇÃO COM O SABER: TRAJETÓRIA E PROCESSO DE APRENDIZAGEM DE ESTUDANTES DO ENSINO SUPERIOR NO TOCANTINS

Welington Francisco; Anna M. Canavarro Benite


The trajectories for the resolution of the case and the chemistry learning are influenced by different relationships with knowledge that they can be relationship with the world, relationship with others and relationship with yourself.

http://dx.doi.org/10.5935/0100-4042.20160031

Publicado online: fevereiro 18, 2016
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Carta ao Editor Quim. Nova 2016, 39(3), 406-407

 

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