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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.

vol. 37, No. 8, 2014, p. 1263-1426

 

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Artigo de Capa
Quim. Nova 2014, 37(8), 1318-1323

Propriedades estruturais e eletrônicas de nanofilmes de TiO2 anatase: cálculos B3LYP-D* em sistemas periódicos bidimensionais

Anderson R. AlbuquerqueI,II,III; Iêda M. G. SantosII; Júlio R. SambranoI,*

Wulff construction of single crystal TiO2 anatase at the B3LYP-D* level of theory, where the (001) and (101) surfaces are the exposed facets. Charge density maps are shown bellow for each surface.

http://dx.doi.org/10.5935/0100-4042.20140187

Publicado online: julho 15, 2014
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Artigos Quim. Nova 2014, 37(8), 1263-1268

 

Terpanos pentacíclicos como indicadores de heterogeneidades composicionais em reservatório de petróleo biodegradado

Laercio Lopes Martins; Gabriel Clemente Franklin; Eliane Soares de Souza; Georgiana Feitosa da Cruz*


Oil fingerprinting technique employed to assess reservoir continuity in tar sand reservoirs. This work recommends the use of pentacyclic terpanes instead of lower molecular weight compounds to calculate peak ratios in order to plot star diagrams.

http://dx.doi.org/10.5935/0100-4042.20140222

Publicado online: agosto 1, 2014
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Quim. Nova 2014, 37(8), 1269-1274

 

Avaliação da eficiência de degradação de hidrocarbonetos aromáticos por bactérias provenientes de estação de tratamento de efluente de refinaria de petróleo

Fernanda R. PinhatiI,*; Eduardo M. Del AguilaII; Ana Paula R. TôrresIII; Maíra P. de SousaIII; Vânia Maria J. SantiagoIII; Joab T. SilvaII,+; Vânia Margaret F. PaschoalinII


In this study, three bacteria from a wastewater treatment system were isolated and sequenced, demonstrating high efficiency in degrading polycyclic aromatic hydrocarbons.

http://dx.doi.org/10.5935/0100-4042.20140221

Publicado online: agosto 1, 2014
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Quim. Nova 2014, 37(8), 1275-1282

 

Obtenção de nanocelulose da fibra de coco verde e incorporação em filmes biodegradáveis de amido plastificados com glicerol

Bruna A. S. MachadoI,II,*; João H. O. ReisII; Jania B. da SilvaIII; Lindaiá S. CruzI; Itaciara L. NunesIV; Fabiano V. PereiraV; Janice I. DruzianII


Obtention of cellulose nanocrystals from coconut fiber by acidic hydrolysis (H2SO4 64% at 50°C). The nanocrystals were incorporated into a starch film solution to further obtain films with improved properties.

http://dx.doi.org/10.5935/0100-4042.20140220

Publicado online: agosto 1, 2014
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Quim. Nova 2014, 37(8), 1283-1288

 

Sedimentação de nutrientes e material particulado em reservatório sob influência de atividades de piscicultura no semiárido do Rio Grande do Norte

Rodrigo S. T. de Moura*; Yuri V. de A. Lopes; Gustavo G. Henry-Silva


A proportion of the nutrients used in cage fish farming is lost to the environment and their sedimentation rates must be known to enable appropriate management of the system and protection of water resources.

http://dx.doi.org/10.5935/0100-4042.20140203

Publicado online: julho 22, 2014
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Quim. Nova 2014, 37(8), 1289-1296

 

Nanocompósitos entre nanotubos de carbono e nanopartículas de platina: preparação, caracterização e aplicação em eletro-oxidação de álcoois

Adir H. Kalinke; Aldo J. G. Zarbin*


Glassy carbon electrodes modified with platinum nanoparticle/carbon nanotube nanocomposites exhibit high performance for the oxidation of methanol and ethanol.

http://dx.doi.org/10.5935/0100-4042.20140202

Publicado online: julho 22, 2014
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Quim. Nova 2014, 37(8), 1297-1301

 

Synthesis of 1H-benzoxazine-2,4-diones from heterocyclic anhydrides: evaluation of antioxidant and antimicrobial activities

Juan I. Sarmiento-SánchezI,*; Julio Montes-AvilaII; Adrián Ochoa-TeránIII; Francisco Delgado-VargasII; Victor Wilson-CorralI; Sylvia P. Díaz-CamachoII; Fernando García-PáezI; Pedro Bastidas-BastidasIV


In this work we reported the synthesis of benzoxazine-2,4-diones derivatives and their evaluation of antioxidant and antimicrobial activities.

http://dx.doi.org/10.5935/0100-4042.20140201

Publicado online: julho 22, 2014
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Quim. Nova 2014, 37(8), 1302-1307

 

Caracterização mecânica e estrutural de um dispositivo PDLC baseado em hidrogéis de PAAm e cristal líquido liotrópico LP/DeOH/H2O

Fauze A. AouadaI,*; Marcia R. de MouraI; Paulo R. G. FernandesII; Adley F. RubiraIII; Edvani C. MunizIII


The presence of LLC caused optical anisotropy in the polymeric hydrogels, a useful property for technological applications.

http://dx.doi.org/10.5935/0100-4042.20140200

Publicado online: julho 22, 2014
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Quim. Nova 2014, 37(8), 1308-1311

 

Ligandless cloud point extraction of trace amounts of palladium and rhodium in road dust samples using Span 80 prior to their determination by flame atomic absorption spectrometry

Mahmoud RoushaniI,*; Yar Mohammad BaghelaniI; Shahryar AbbasiI; Sayed Zia MohammadiII


A ligandless cloud point extraction procedure was developed for the separation and preconcentration of trace amounts of Pd(II) and Rh(III) ions in water samples using Span 80 prior to their determination by flame atomic absorption spectrometry.

http://dx.doi.org/10.5935/0100-4042.20140199

Publicado online: julho 22, 2014
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Quim. Nova 2014, 37(8), 1312-1317

 

Influence of chloride-mediated oxidation on the electrochemical degradation of the Direct Black 22 dye using boron-doped diamond and β-PbO2 anodes

Douglas A. C. Coledam; José M. Aquino; Romeu C. Rocha-Filho*; Nerilso Bocchi; Sonia R. Biaggio


For the degradation of the DB 22 dye (30 mA cm−2, 25 °C, and pH 7), COD removal is greatly accelerated in the presence of NaCl. In its absence, the β-PbO2 anode is more efficient for COD removal than the BDD anode, which suggests that distinct oxidation pathways take place on the surface of those anodes.

http://dx.doi.org/10.5935/0100-4042.20140219

Publicado online: agosto 1, 2014
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Quim. Nova 2014, 37(8), 1324-1328

 

Potentiometric determination of nickel (II) ion using 2-hydroxy-1-naphthylidene-N-cyanoacetohydrazone as electroactive material

Harish Kumar SharmaI,*; Pernita DograI; Akhilesh Kumar GuptaI; Fardad KoohyarII


Scheme of nickel selective potentiometric cell assembly and calibration curve for Ni(II) obtained using a selective electrode based on Schiff's base.

http://dx.doi.org/10.5935/0100-4042.20140198

Publicado online: julho 22, 2014
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Quim. Nova 2014, 37(8), 1329-1334

 

Carcinogenicidade do carbendazim e seus metabólitos

Renato C. Silva; Karina A. Barros; Antonio C. Pavão*


Used to control the pest Guignardia citricicarpa (early blight), a common fungus in oranges. This study however, demonstrates its carcinogenic potential.

http://dx.doi.org/10.5935/0100-4042.20140214

Publicado online: julho 29, 2014
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Quim. Nova 2014, 37(8), 1335-1341

 

Otimização da etapa de extração do ácido clavulânico presente no caldo de fermentação utilizando misturas de solventes

Mariane de A. Mancilha; Gabriela C. Guimarães; João Cláudio S. de C. Nardi; Jaine H. H. L. de Oliveira; Daniela B. Hirata*


Four different solvent mixtures were studied intended to increase the yield of the extraction stage of clavulanic acid from fermentation broth. Response surface methodology was used to optimize the liquid-liquid extraction.

http://dx.doi.org/10.5935/0100-4042.20140213

Publicado online: julho 29, 2014
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Quim. Nova 2014, 37(8), 1342-1350

 

Desenvolvimento de procedimento de extração para análise de sedativos e β-bloqueadores em rim suíno

Lenise G. de OliveiraI,*; Marcia H. S. KurzI; Fábio F. GonçalvesI; Fabiano BarretoII; Gabriel RübensamII; Rodrigo HoffII


Sedatives and beta blockers are used in swine to reduce stress during transport to the slaughterhouse. These residues can remain in foods. Therefore, the monitoring of these compounds should be performed to ensure food safety.

http://dx.doi.org/10.5935/0100-4042.20140185

Publicado online: julho 15, 2014
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Quim. Nova 2014, 37(8), 1351-1356

 

Biodegradação bacteriana de compostos organoclorados

Mariana Consiglio Kasemodel; André Luiz Meleiro Porto; Marcia Nitschke*


A selected Pseudomonas aeruginosa strain was able to degrade DDD, dieldrin and PCP in liquid medium and the presence of rhamnolipid biosurfactant increased biodegradation of the organochlorides.

http://dx.doi.org/10.5935/0100-4042.20140218

Publicado online: agosto 1, 2014
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Quim. Nova 2014, 37(8), 1357-1364

 

Determination of sulfate in the wet-process of phosphoric acid by reverse flow injection

Wenhui Shi; Lin Yang; Quanjun Fu; Zhiye Zhang; Xinlong Wang*


Reverse-flow injection analysis system used for sulfate concentration determination in wet-process of phosphoric acid (WPA).

http://dx.doi.org/10.5935/0100-4042.20140196

Publicado online: julho 22, 2014
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Quim. Nova 2014, 37(8), 1365-1370

 

Exploración estocástica de las superficies de energía potencial de dímeros cis-trans y trans-trans del ácido fórmico

Said F. Figueredo*; Adolfo E. Ensuncho; Jesús M. López


Using a stochastic method, new conformations were found on the potential energy surface of formic acid dimers. B3LYP/6-311++G(3df,2p) calculations show strengthening or weakening of chemical bonds.

http://dx.doi.org/10.5935/0100-4042.20140217

Publicado online: agosto 1, 2014
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Quim. Nova 2014, 37(8), 1371-1376

 

LC-MS/MS method applied to preclinical pharmacokinetic investigation of olanzapine-loaded lipid-core nanocapsules

Frantiescoli A. DimerI,*; Maiara C. PigattoI; Adriana R. PohlmannI,II; Teresa Dalla CostaI; Silvia S. GuterresI


A method for determining olanzapine in rat plasma was developed. Low plasma sample volumes (100 µL) were used. The method was applied in the pharmacokinetic study of olanzapine nanocapsules.

http://dx.doi.org/10.5935/0100-4042.20140195

Publicado online: julho 22, 2014
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Revisão Quim. Nova 2014, 37(8), 1377-1381

 

Sínteses totais das enoquipodinas

Camila B. Nascimento; Fernando Macedo Jr.


Enokipodins A-J are attractive synthetic targets due to either their biological potential or their structural characteristics, particularly concerning to the presence of a benzylic quaternary center for which different synthetic approaches have been used.

http://dx.doi.org/10.5935/0100-4042.20140157

Publicado online: junho 11, 2014
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Quim. Nova 2014, 37(8), 1382-1400

 

Química entre a microcamada superficial oceânica e os aerossóis marinhos

Célia A. Alves*


The sea surface microlayer controls interactions between the ocean and the atmosphere. Organic material from seawater is directly introduced into the atmosphere by bubbles bursting at the sea surface, which affects biogeochemical processes and climate.

http://dx.doi.org/10.5935/0100-4042.20140223

Publicado online: agosto 1, 2014
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Nota Técnica Quim. Nova 2014, 37(8), 1401-1403

 

Desenvolvimento de reator tipo "dip catalyst" para filmes poliméricos contendo nanopartículas de metais de transição

Deyvid G. M. Oliveira; Glademir Alvarenga; Carla W. Scheeren; Gilber R. Rosa*


Low-cost reactor-type "dip catalyst" developed and tested in Suzuki-Miyaura cross-coupling.

http://dx.doi.org/10.5935/0100-4042.20140224

Publicado online: agosto 1, 2014
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Quim. Nova 2014, 37(8), 1404-1409

 

UV determination of epinephrine, uric acid, and acetaminophen in pharmaceutical formulations and some human body fluids using multivariate calibration

Hanieh MontaseriI,*; Habibollah KhajehsharifiI; Saeed YousefinejadII


The simultaneous determination of EP, UA, and AC is difficult due to spectral overlap in the ultraviolet region. Therefore, multivariate calibration methods were used for the construction of calibration sets.

http://dx.doi.org/10.5935/0100-4042.20140206

Publicado online: julho 22, 2014
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Educação Quim. Nova 2014, 37(8), 1410-1416

 

Simulação de sinais de RMN através das equações de Bloch

Tiago Bueno MoraesI,*; Luiz Alberto ColnagoII


The aim of this paper was to present a simple and fast way of simulating Nuclear Magnetic Resonance signals using the Bloch equations. Through the formalism of sum of isochromats, simulations of Single Pulse, Inversion Recovery, Spin Echo and CPMG sequences are presented.

http://dx.doi.org/10.5935/0100-4042.20140210

Publicado online: julho 22, 2014
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Quim. Nova 2014, 37(8), 1417-1425

 

A quimiometria nos cursos de graduação em química: proposta do uso da análise multivariada na determinação de pKa

Paulo Cesar de Souza PereiraI; Camila Fabiano de FreitasI; Cristiane Santi ChavesI; Bianca Martins EstevãoI; Diogo Silva PellosiI; André Luiz TessaroII; Vagner Roberto BatistelaIII; Ieda Spacino ScarminioIV; Wilker CaetanoI; Noboru HiokaI,*


Using chemometric multivariate analysis methodology in the treatment of spectroscopic data it is possible to extract the maximum information from the experimental data, leading to an accurate determination of pKa values as well as simulation of the spectra of pure species.

http://dx.doi.org/10.5935/0100-4042.20140216

Publicado online: julho 29, 2014
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