JBCS



11:58, sex jun 22








Autores: A partir do fascículo 39/9 a revista Química Nova adotou a licença CC-BY. Mais informações a respeito dessa licença podem ser obtidas aqui.

Edição Atual vol. 41, No. 6, 2018, p. 601-718

 

Submission procedures for OPEN ACCESS

The Board of Directors of the Sociedade Brasileira de Química-SBQ (publisher of the Química Nova-QN) decided that QN 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 2018, 41(6), 662-677

BUSCA VIRTUAL DE COMPOSTOS BIOATIVOS: CONCEITOS E APLICAÇÕES

Erika Piccirillo; Antonia Tavares do Amaral

Representation of a virtual screening procedure using a sequence of different filters (drug-like properties, pharmacophore or shape, similarity and docking) applied to a virtual database of molecules previously prepared.

http://dx.doi.org/10.21577/0100-4042.20170210

Publicado online: março 8, 2018
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Artigos Quim. Nova 2018, 41(6), 601-606

 

CONDENSAÇÃO ALDÓLICA DE FURFURAL E ACETONA CATALISADA POR BASES ORGÂNICAS NITROGENADAS: UM ESTUDO PRELIMINAR DE DESEMPENHO CATALÍTICO VISANDO A PRODUÇÃO DE BIOQUEROSENE DE AVIAÇÃO

Vinícius W. Faria; Guilherme C. Almeida; Cláudio J. A. Mota


Aldol condensation of furfural with acetone catalyzed by amines.

http://dx.doi.org/10.21577/0100-4042.20170225

Publicado online: abril 4, 2018
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Quim. Nova 2018, 41(6), 607-612

 

Adenanthera pavonina GALACTOMANNAN FOR CONTROLLED DELIVERY OF RUTIN - A PRELIMINARY STUDY

Karine A. Nobre; Carlos E. A. Soares; Ícaro G. P. Vieira; Raimundo R. de Almeida; Renato de A. Moreira; Tamara G. de Araújo; Maria E. N. P. Ribeiro; Nágila M. P. S. Ricardo


A new formulation for controlled drug delivery from water-swellable matrix systems was proposed.

http://dx.doi.org/10.21577/0100-4042.20170226

Publicado online: abril 4, 2018
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Quim. Nova 2018, 41(6), 613-618

 

LEWIS ACID SITES OF Mg2+-MODIFIED POLYSTYRENE SULFONIC ACID RESIN CATALYSYS FOR SYNTHESIS OF DIBUTYL SUCCINATE

Cheng Jing; Liang Jinhua; Ding Zhongxie; Wang Yuehua; Liu Zhen; Jiang Min; Ren Xiaoqian


The protonation of the carbonyl moiety in the succinic acid activates the carbonyl carbon atom for nucleophilic attack of n-butanol followed by the desorption of the succinic acid monobutyl ester. After a new esterification process, the generated dibutyl succinate separated from the surface active sites of the catalyst.

http://dx.doi.org/10.21577/0100-4042.20170230

Publicado online: abril 10, 2018
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Quim. Nova 2018, 41(6), 619-622

 

PHYTOCHEMISTRY INVESTIGATION OF Casearia arborea (RICH.) URB. (SALICACEAE) AND ANTIMICROBIAL ANALYSIS OF ITS DITERPENE

Maria D. Leite-Ferreira; Maria S. Rocha-Souza; Raphael R. de A. Ramirez; Otemberg S. Chaves; Yanna C. F. Teles; Fillipe de O. Pereira; Raimundo Braz-Filho; Edeltrudes de O. Lima; Rosangela do Socorro F. R. Sarquis; Tânia Maria Sarmento da Silva; Maria de Fátima Vanderlei de Souza


Seven compounds were isolated from Casearia arbórea using chromatographic methods and the antimicrobial activity of kolavelone, a clerodane diterpene, was evaluated.

http://dx.doi.org/10.21577/0100-4042.20170220

Publicado online: março 29, 2018
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Quim. Nova 2018, 41(6), 623-627

 

A HIGHLY SELECTIVE FLUORESCENT SENSOR FOR DETECTION OF TRIVALENT METAL IONS BASED ON A SIMPLE SCHIFF-BASE

Yongjie Ding; Chunxiang Zhao


A simple fluorescent sensor L showed good selectivity toward trivalent metal ions (such as Al3+, Fe3+, Cr3+, La3+ and Ce3+) over other monovalent or divalent metal ions.

http://dx.doi.org/10.21577/0100-4042.20170229

Publicado online: abril 10, 2018
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Quim. Nova 2018, 41(6), 628-633

 

SOLVENT SELECTION FOR CHEMICAL REACTIONS: AUTOMATED COMPUTATIONAL SCREENING OF SOLVENTS USING THE SMD MODEL

Ellen V. Dalessandro; Josefredo R. Pliego Jr.


Computational screening of solvents through full SMD calculations can be an useful approach for finding the best solvent of a chemical reaction.

http://dx.doi.org/10.21577/0100-4042.20170224

Publicado online: abril 2, 2018
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Quim. Nova 2018, 41(6), 634-640

 

AVALIAÇÃO DOS RESÍDUOS GERADOS DURANTE A DESTRUIÇÃO DE PCBS PELO PROCESSO CATALISADO POR BASE

Cassio P. Menini; Kassia S. Kanieski; Martinho J. Vichinheski; Tarcisio Loddi; Marco A. Marin; Marilda Munaro; Joseane V. Gulmine


With the reaction the PCBs are partially dechlorinated, forming less chlorinated congeners and aryl glycol compounds by the chemical bonding to the polyethylene glycol.

http://dx.doi.org/10.21577/0100-4042.20170232

Publicado online: abril 18, 2018
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Quim. Nova 2018, 41(6), 641-647

 

EXTRAÇÃO EM FASE SÓLIDA DE RESÍDUOS DE AGROTÓXICOS DE ÁGUA SUPERFICIAL, EMPREGANDO UM SORVENTE DE MENOR RETENÇÃO

Carlos A. S. Aguiar Júnior; Nadja T. M. Silva; Dayane F. Soares; Anizio M. Faria


Extraction and pre-concentration of pesticides in surface water samples by SPE-HPLC-UV, using a low-cost lab-made SPE sorbent.

http://dx.doi.org/10.21577/0100-4042.20170223

Publicado online: março 29, 2018
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Quim. Nova 2018, 41(6), 648-655

 

AVALIAÇÃO DE CARACTERÍSTICAS DE BIODIESEIS DE FONTES ALTERNATIVAS SUBMETIDOS A CONDIÇÕES DE ARMAZENAGEM DIFERENCIADA

Maria Juliane Suota; Edesio Luiz Simionatto; Dilamara Riva Scharf; Valnice Motta; Daniela Moser; Luciano Basto Oliveira; Luiz Roberto Martins Pedroso; Alberto Wisniewski Jr; Vinicyus Rodolfo Wiggers; Vanderleia Botton; Henry França Meier


Waste and residual triacylglycerols can be a valuable feedstock source to produce biodiesel. One of the main chemical aspects of quality is the oxidative stability of FAMEs during of storage process. We evaluate some specific conditions that can promote it.

http://dx.doi.org/10.21577/0100-4042.20170222

Publicado online: março 29, 2018
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Quim. Nova 2018, 41(6), 656-661

 

SORÇÃO DE CO2 UTILIZANDO LÍQUIDO IÔNICO ADITIVADO COM EXTENSORES DE ÁREA SUPERFICIAL

André L. A. De Souza; Michele O. Vieira; Barbara B. Polesso; Fabiana W. Cobalchini; Franciele L. Bernard; Felipe Dalla Vecchia; Sandra Einloft


CO2 sorption using ionic liquid ([mbmim][Tf2N] and [bmim][BF4]) with glass microspheres K20 as surface area extenders.

http://dx.doi.org/10.21577/0100-4042.20170227

Publicado online: abril 10, 2018
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Revisão Quim. Nova 2018, 41(6), 678-690

 

OS LANTANÍDEOS NAS REDES METALORGÂNICAS: UMA NOVA CLASSE DE MATERIAIS POROSOS

Ayla R. B. S. Galaço; Juliana F. Lima; Osvaldo A. Serra


Lanthanoid organic frameworks (LOFs)* stand out as an important class of functional materials due the optical, magnetic and redox properties. The main properties of these materials as, sensors, catalysis, luminescence and so on, is described in this review.

http://dx.doi.org/10.21577/0100-4042.20170219

Publicado online: março 21, 2018
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Educação Quim. Nova 2018, 41(6), 691-698

 

EXPERIMENTO COM ABACATE, BORRA DE CAFÉ, LICURI E LEITE DE COCO PARA EXTRAÇÃO DE ÓLEO, PRODUÇÃO DE BIODIESEL E ANÁLISE ESPECTRAL

Silvio Cunha; Marina Costa Rodrigues; Rosiene Reis Mattos; Leonardo Sena Gomes Teixeira; Airam Oliveira Santos; Elaine V. Santos; Rauan S. Souza; Givaldo dos Santos Andrade; Rodrigo De Paula; Djane S. de Jesus


Four alternative biomasses were applied in undergraduate organic chemistry experiment for oil extraction and biodiesel production. Infrared and hydrogen nuclear magnetic resonance spectra of oils, oil and biodiesel and biodiesels were compared.

http://dx.doi.org/10.21577/0100-4042.20170213

Publicado online: março 8, 2018
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Quim. Nova 2018, 41(6), 699-705

 

TOPOLOGIA UNIFICADA DOS ORBITAIS MOLECULARES DE FRONTEIRA PARA EXPLICAR REAÇÕES PERICÍCLICAS

Silvio Cunha


Pericyclic reactions can be classified according to the connectivity of reactants systems as connected atom reactions (CAR) and as not connected atom reactions (NOCAR). HOMO's topology is adequate to explain all CAR, while the HOMO-LUMO's topology explain all NOCAR.

http://dx.doi.org/10.21577/0100-4042.20170197

Publicado online: fevereiro 8, 2018
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Quim. Nova 2018, 41(6), 706-712

 

ATIVIDADE FOTODINÂMICA E CONCEITOS: UM EXPERIMENTO DEMONSTRATIVO

Ana Claudia Pedrozo da Silva; Camila Fabiano de Freitas; André Luiz Tessaro; Wilker Caetano; Silvana Maria de Oliveira Santin; Noboru Hioka; Graciana Freitas Palioto


Methylene Blue and Erythrosine B showed photodynamic action in the inhibition of microbial growth after LED light exposure in a simple and didactic experiment. It can be applied in Chemistry courses allying advanced researches with basic concepts.

http://dx.doi.org/10.21577/0100-4042.20170215

Publicado online: março 19, 2018
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Assuntos Gerais Quim. Nova 2018, 41(6), 713-718

 

INOVAÇÃO E PROPRIEDADE INTELECTUAL DOS 1,2,4-OXADIAZÓIS: UMA PROSPECÇÃO TECNOLÓGICA FUNDAMENTADA EM BASE DE DADOS DE PATENTES E PERIÓDICOS

Erick Caique Santos Costa; Jucleiton José Rufino de Freitas; Juliano Carlo Rufino Freitas


1,2,4-Oxadiazoles are heterocyclic with a broad spectrum of applications. Given this, the present search aimed at analyzing the potential and evolution of the technology involved in oxadizoles application through research papers and publications of patent applications.

http://dx.doi.org/10.21577/0100-4042.20170211

Publicado online: março 8, 2018
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