JBCS



2:17, seg set 26






Edição Atual vol. 39, No. 7, 2016, p. 771-891

 

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(7), 859-875

Sínteses totais no Brasil empregando acoplamentos cruzados mediados por paládio#

Mauricio M. Victora,b,*; Gálber S. B. da Silvaa,b

This article describes the selected total syntheses of complex organic compounds, performed in Brazil, which have employed a palladium catalyzed cross-coupling reaction as key step.

http://dx.doi.org/10.5935/0100-4042.20160085

Publicado online: maio 10, 2016
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Artigos Quim. Nova 2016, 39(7), 771-781

 

Síntese e caracterização de surfactantes alquilfenil poliglicosídicos a partir da amilose e alquil fenóis extraídos do LCC natural

Francisco C. F. de FrançaI,II; Ethanielda de L. CoelhoII; Antônia F. J. UchôaII; Francisco H. A. RodriguesII,III; Maria E. N. P. RibeiroII,*; Sandra de A. SoaresII; Nágila M. P. S. RicardoII


Synthesis of new alkyl phenyl polyglycosides from cardol and the anacardic acid through a green synthetic route.

http://dx.doi.org/10.5935/0100-4042.20160090

Publicado online: maio 25, 2016
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Quim. Nova 2016, 39(7), 782-788

 

Seleção polifásica de microrganismos produtores de polihidroxialcanoatos

Amanda L. S. Silva; Elane C. L. dos Santos; Ítalo A. P. dos Santos; Ana M. Q. López*


PHA-producing bacteria isolated from the environment was better characterized when submitted to a polyphasic screening, in addition to their biochemical profile in miniaturized galleries such as API 20E® and amplification of genes.

http://dx.doi.org/10.5935/0100-4042.20160083

Publicado online: maio 10, 2016
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Quim. Nova 2016, 39(7), 789-794

 

Carcinogenicidade de hidrocarbonetos policíclicos aromáticos

Douglas L. Bernardo*; Karina A. Barros; Renato C. Silva; Antonio C. Pavão


Guanine to carcinogen electron transfer mechanism: according to the unsynchronized resonating valence bond theory of L. Pauling, an electron transfer leads to formation of a covalent bond between DNA (guanine) and the carcinogen (PAH).

http://dx.doi.org/10.5935/0100-4042.20160093

Publicado online: junho 1, 2016
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Quim. Nova 2016, 39(7), 795-800

 

Recuperação de sesquiterpenos do óleo-resina de copaíba a partir da destilação molecular

Cleyson de S. GalúcioI,*; Cibelem I. BenitesI; Rodney A. F. RodriguesII; Maria Regina Wolf MacielI


Molecular distillation is a clean technology that separates compounds in fractions of seconds. This process allowed for recovery of sesquiterpenes from copaiba oil-resin with 98% purity.

http://dx.doi.org/10.5935/0100-4042.20160096

Publicado online: junho 6, 2016
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Quim. Nova 2016, 39(7), 801-806

 

Síntese e caracterização de novos organometálicos de estanho (IV) com ligantes ditiocarbimatos e sua ação acceleradora na vulcanização de borracha nitrílica

Fernanda C. BottegaI; Marcelo R. L. OliveiraI,*; Vanessa Pio SérvuloI; Leila L. Y. VisconteII: José D. ArdissonIII; Mayura M. M. RubingerI


Specimens of nitrile rubber vulcanized with novel tin (IV) accelerators [R = C6H5; ClC6H4; BrC6H4 and IC6H4] for tensile strength and tear resistance analyses.

http://dx.doi.org/10.5935/0100-4042.20160084

Publicado online: maio 10, 2016
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Quim. Nova 2016, 39(7), 807-816

 

Propriedades ópticas não lineares de clusters do BC5

Marconi B. S. Costa*; Ana E. de A. Machado


Second Harmonic Generation (SHG) at the 1653 nm of the P3m1 phase for the BC5 cluster.

http://dx.doi.org/10.5935/0100-4042.20160094

Publicado online: junho 1, 2016
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Quim. Nova 2016, 39(7), 817-824

 

Desarrollo de los índices de poder electrofílico y nucleofílico dentro del marco conceptual de la teoría del funcional de la densidad

Said F. FigueredoI,*; Manuel S. PáezI; Jong-Won SongII


New global and local reactivity descriptors have been developed in basis to canonical and grand canonical ensembles of conceptual DFT. All of reactivity indices showed a good description of both local and global reactivity trends on the selected molecules.

http://dx.doi.org/10.5935/0100-4042.20160097

Publicado online: junho 6, 2016
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Quim. Nova 2016, 39(7), 825-831

 

Fluorous supported synthesis of pyrazolone derivatives from allylic alcohols using a palladium-catalyzed strategy

Nicolas GouaultI,*; Alexandre CariouI; Jean-François CupifI; Patrícia de Aguiar AmaralII; Michèle DavidI


Ten substituted pyrazolone derivatives were easily synthesized from perfluorinated allylic alcohols, via a straightforward two steps reaction involving a Heckcoupling/isomerization reaction and subsequent condensation of hydrazines.

http://dx.doi.org/10.5935/0100-4042.20160098

Publicado online: junho 6, 2016
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Quim. Nova 2016, 39(7), 832-835

 

Spectroscopic study of effects of tetraalkylammonium cations on F-sensing properties of calix[4]pyrrole boradiazaindacene dye

Yongjun Lv*


F-sensing properties of a calix[4]pyrrole boradiazaindacene dye were evaluated with respect to the effects of the presence of different tetraalkylammonium cations in CH3CN. The dye exhibited F-binding affinity in the order KTMA+ > KTEA+ > KTBA+ as a consequence of cation size effects and ion-pairing effects.

http://dx.doi.org/10.5935/0100-4042.20160091

Publicado online: maio 25, 2016
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Quim. Nova 2016, 39(7), 836-844

 

Imobilização de dióxido de titânio em diferentes materiais suporte para o emprego em fotocatálise heterogênea

Shalimar S. BorgesI; Leandro P. S. XavierII; Adilson C. da SilvaII; Sérgio F. de AquinoII,*


Tests were carried out to select the best solid support (granular activated carbon - GAC, crushed ceramic material - CCM, and zeolite - ZEO) and procedure (dip and coat, sol-gel) for TiO2 immobilization for their use in the photocatalysis of sulfamethoxazole (SMX) in aqueous solutions.

http://dx.doi.org/10.5935/0100-4042.20160106

Publicado online: junho 10, 2016
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Quim. Nova 2016, 39(7), 845-852

 

Polymerization of aniline in different SBA-16 silica hosts

Leidy Hoyos Giraldo*; Alejandro Ramirez Velez; Monica Mesa Cadavid


Polyaniline-silica composites were synthesized using different mesoporous silica hosts. The synthesis pathway allowed a faster polymerization, high polymerization efficiency and higher molecular weights than for other polyaniline derivatives synthesized without the use of hosts. The high surface area of the silica favored the adsorption of aniline and the presence of aluminium on them accelerated the polymerization process. Therefore, the hosts had dual properties as nucleation centers and catalysts in this process. The composites were electrical conductive materials.

http://dx.doi.org/10.5935/0100-4042.20160100

Publicado online: junho 6, 2016
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Quim. Nova 2016, 39(7), 853-858

 

Diseño y caracterización teórica de materiales fotoactivos eficientes basados en derivados de naftopirrol y de naftotiofeno para celdas solares orgánicas

Walter J. Cuadro*; Adolfo E. Ensuncho; Juana R. Robles


Prediction of photoelectric conversion efficiency of derivatives D-NPR-A and D-NTP-A.

http://dx.doi.org/10.5935/0100-4042.20160101

Publicado online: junho 6, 2016
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Nota Técnica Quim. Nova 2016, 39(7), 876-881

 

Classificação de águas minerais baseada em imagens digitais obtidas por smartphones

Gerson F. Silva Neto; Alexandre Fonseca*; Jez W. B. Braga


Water classification based on digital images. Waters are combined with colorimetric reagents, the RGB parameters are acquired with a smartphone and discrimination is performed using raw data.

http://dx.doi.org/10.5935/0100-4042.20160088

Publicado online: maio 25, 2016
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Educação Quim. Nova 2016, 39(7), 882-885

 

Coeficientes de transmissão e reflexão pelo método da amplitude variável

Éderson D'M. CostaI; Luciano CordeiroII; Nelson H. T. LemesI,*; João P. BragaIII


Transmission and reflection coefficients calculated by the variable amplitude method.

http://dx.doi.org/10.5935/0100-4042.20160061

Publicado online: abril 12, 2016
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Quim. Nova 2016, 39(7), 886-891

 

Problemas inversos mal colocados em química

João P. BragaI,*; Nelson H. T. LemesII; Emílio BorgesIII; Rita C. O. SebastiãoI


What is an inverse problem and how to extract the maximum information from experimental data, such as the potential energy function from second virial coefficient, is the main objective of the present paper.

http://dx.doi.org/10.5935/0100-4042.20160104

Publicado online: junho 6, 2016
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