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Vol. 27, No. 6, June, 2016

ISSN 0103-5053JBCSJournal of the Brazilian Chemical Society

Our menu illustrates a recurring struggle that theoretical chemists face in their daily activities regarding their adopted charge model. Should we settle with a free sample that may not be satisfying? Sometimes the affordable choice tastes a little fishy. If you are willing to spend more you might not suffer indigestion! Details are presented in the Review Review of Experimental GAPT and Infrared Atomic Charges in Molecules by Wagner E. Richter, Leonardo J. Duarte, Arnaldo F. Silva and Roy E. Bruns on page 979.

Contents

Review979 Review of Experimental GAPT and Infrared Atomic Charges

in MoleculesWagner E. Richter, Leonardo J. Duarte, Arnaldo F. Silva and Roy E. Bruns

Graphical AbstractThe atomic charges of carbon monoxide from some of the most used

charge models. With the exception of generalized atomic polar tensor (GAPT), they all agree well with the almost null dipole moment. We

would rather buy quantum theory of atoms in molecules (QTAIM). It’s more expensive but works well

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998 Oxidative Desulfurization of Gasoline by Ionic Liquids Coupled with Extraction by Organic SolventsRashid Abro, Shurong Gao, Xiaochun Chen, Guangren Yu, Ahmed A. Abdeltawab and Salem S. Al-Deyab

Graphical AbstractOxidative desulfurization (ODS) of gasoline by ionic liquids (ILs) coupled

with extraction by organic solvents is a potential method to produce clean gasoline

Articles992 Analysis of Blotter Papers Employed in the Commercialization

of New Hallucinogenic Substances of the 2,5-Dimethoxy-N-(2-methoxybenzyl) Phenethylamine Series Seized in the City of Bogotá by Applying Gas Chromatography Coupled to a Selective Mass Ion Trap DetectorDiego A. Sánchez Robayo, William F. Garzón Mendez, Gonzalo Taborda Ocampo and Milton Rosero Moreano

Graphical AbstractSample of blotter paper seized in the streets of Bogotá, analyzed by gas

chromatography coupled to a selective mass ion trap detector (GC-MS IT) containing three different synthetic drugs

1014 Kine t i c Ana lys i s o f the Decompos i t ion o f the KFe3(SO4)2−x(CrO4)x(OH)6 Jarosite Solid Solution in Ca(OH)2

MediumIster Mireles, Iván A. Reyes, Víctor H. Flores, Francisco Patiño, Mizraim U. Flores, Martín Reyes, Manuel Acosta, Roel Cruz and Emmanuel J. Gutiérrez

Graphical AbstractJarosite-type compounds can undergo several kinds of substitutions

thanks to the different coordination environments in their structure; many of those substitutions can be made by elements of environmental

importance, such as chromium(VI). Furthermore, they possess high stability in a wide range of pH and temperature, so they could be

excellent deposits of toxic elements

1007 Synthesis, Characterization and Catalytic Performance of a Novel Picolinic Acid-12-Molybdophosphoric Acid Hybrid CatalystLijun Liu, Honghong Wang, Shuwen Gong, Jing Lu and Qian Zhang

Graphical AbstractA novel picolinic acid-12-molybdophosphoric acid hybrid complex was

prepared and characterized. The complex was demonstrated to be a highly efficient and reusable solid-liquid heterogeneous catalyst for esterification

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vVol. 27, No. 6, 2016

1032 Antiprotozoal Activity of the Cyclopalladated Complexes Against Leishmania amazonensis and Trypanosoma cruziAngela M. A. Velásquez, Rodrigo A. de Souza, Thaís G. Passalacqua, Aline R. Ribeiro, Mateus Scontri, Chung M. Chin, Leticia de Almeida, Mayara L. Del Cistia, João A. da Rosa, Antonio E. Mauro and Marcia A. S. Graminha

Graphical AbstractThe cyclopalladated complexes showed leishmanicidal and trypanocidal activities. [Pd(dmba)(μ-NCO)]2 showed to be the most active compound

against Leishmania amazonensis and Trypanosoma cruzi intracellular amastigote forms

1040 Biosensor Based on Cysteine Monolayer and Monoclonal Antibody for Specific Detection of Aflatoxin B1 in RiceEstéfani P. Simão, Gilcelia J. L. S. Barbieri, Cesar A. S. Andrade and Maria D. L. Oliveira

Graphical AbstractA self-assembled monolayer of cysteine bound monoclonal antibodies was

used to build an immunosensor for aflatoxin B1 detection in rice

1026 Differentiation Among Brazilian Wine Regions Based on Lead Isotopic DataCibele M. S. Almeida, Ana C. Almeida, Maria Luíza D. P. Godoy, Tatiana D. Saint’Pierre and José M. Godoy

Graphical AbstractLead isotopic composition was applied as a tool to differentiate among

Brazilian red wine origin. The results have demonstrate that is possible to discriminate between wines produced on the Southern region from those

produced on Vale do São Francisco

1048 Compounds of Anthostomella brabeji, an Endophytic Fungus Isolated from Paepalanthus planifolius (Eriocaulaceae)Marcelo R. de Amorim, Andressa Somensi, Angela R. Araujo, Bruna V. Bonifácio, Tais M. Bauab and Lourdes C. dos Santos

Graphical AbstractNew compound (+)-(6R*,7S*,8R*)-6,7,8-trihydroxy-2,2-dimethyl-5,6,7,8-

tetrahydro-chroman-4-one isolated from Anthostomella brabeji

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1060 Effect of Metal Dispersion on the Hydrogenation of 2-Amyl Anthraquinone over Pd/Al2O3 CatalystXiaotong Li, Hongjiu Su, Gaoyuan Ren and Shudong Wang

Graphical AbstractThe turnover frequency (TOF) of amyl anthraquinone showed antipathetic

size dependence. The space time yield (STY) of hydrogen peroxide peaked at 4 nm

1067 Quantification of Synthetic Amino-Nitroquinoxaline Dyes: An Approach Using Image AnalysisLilian C. da Silva, Djalan F. de Lima, Janine A. Silva, Camilo L. M. de Morais, Brunno L. Albuquerque, Adailton J. Bortoluzzi, Josiel B. Domingos, Renata M. Araújo, Fabrício G. Menezes and Kássio M. G. Lima

Graphical AbstractThis paper describes the use of digital imaging acquired from a

conventional desktop scanner for characterization of newly synthesized amino-nitroquinoxaline dyes through their color change signatures

1055 Determination of Phenolic Acids and Quercetin in Brazilian Red Wines from Vale do São Francisco Region Using Liquid-Liquid Ultrasound-Assisted Extraction and HPLC-DAD-MSFabio de S. Dias, Jorge M. David and Juceni P. David

Graphical AbstractPhenolic compounds are responsible for the colors and flavors of wines,

and their presence has been associated with some beneficial effects on human health. In this work chromatographic methods were used for

the determination of phenolic acids in wines produced from the São Francisco region, Brazil, which is in the boundary between Bahia and

Pernambuco States

1078 Derivatives of Cardanol through the Ene Reaction with Diethyl AzodicarboxylateAtanu Biswas, Carlucio R. Alves, Maria T. S. Trevisan, Janet Berfield, Roselayne F. Furtado, Zengshe Liu and Huai N. Cheng

Graphical AbstractSchematic reaction of cardanol with diethyl azodicarboxylate to form one

of the ene reaction products

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viiVol. 27, No. 6, 2016

1094 Efficient Mineralization of Paracetamol Using the Nanocomposite TiO2/Zn(II) Phthalocyanine as PhotocatalystMarcela D. França, Lidiaine M. Santos, Tatiana A. Silva, Karen A. Borges, Valdislaine M. Silva, Antonio O. T. Patrocinio, Alam G. Trovó and Antonio E. H. Machado

Graphical AbstractA TiO2/Zn(II) phthalocyanine nanocomposite (<) showed to be up

to 15% better than TiO2-P25 (<) in promoting the mineralization of paracetamol. For both photocatalysts the mineralization is affected

by pH of the reaction medium with maximum efficiency nearby their isoelectric points

1103 Synthesis of CL-20 from TADB in a One-Pot Method by Zeolite/HNO3 as a New Nitrolysis SystemYadollah Bayat, Fatemeh Hajighasemali and Ali Mohajeri

Graphical AbstractHexanitrohexaazaisowurtzitane (CL-20), the most energetic explosive

known to date, has been synthesized through a one-pot nitrolysis reaction using zeolite/HNO3.The optimization of reaction parameters has

been studied

1083 Improvement of the Extraction Process for High Commercial Value Pigments from Desmodesmus sp. MicroalgaeAline T. Soares, Jair G. Marques Júnior, Rafael G. Lopes, Roberto B. Derner and Nelson R. Antoniosi Filho

Graphical AbstractDesmodesmus sp. microalgae cultivation leads to high biomass production.

Different pigment extraction methods from the microalgae cells were tested. Chromatographic identification and quantification from pigments extract revealed the major carotenoids in different extraction methods

1109 Synthesis of Novel 2-Aryl-3-(2-morpholinoethyl)-1,3-thiazinan-4-ones Via Ultrasound Irradiation Daniela P. Gouvêa, Gabriele A. Berwaldt, Patrícia D. Neuenfeldt, Ricardo J. Nunes, Wanda P. Almeida and Wilson Cunico

Graphical AbstractThiazinanones from 2-morpholinoethylamine were obtained by thermal

heating and sonochemistry methodologies

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Short Reports

1121 Acetaminophen Prodrug: Microwave-Assisted Synthesis and in vitro Metabolism Evaluation by Mass SpectrometryValter E. Murie, Lucas M. M. Marques, Glória E. P. Souza, Anderson R. M. Oliveira, Norberto P. Lopes and Giuliano C. Clososki

Graphical AbstractA microwave-assisted reaction allows the isolation of propacetamol

hydrochloride in high purity and yield. Mass spectrometry was used to evaluate an active pharmaceutical ingredient (API) microsomal reaction

1129 Appel Reaction of Carboxylic Acids with Tribromoisocyanuric Acid/Triphenylphosphine: a Mild and Acid-Free Preparation of Esters and AmidesHaryadylla da Cunha Sindra and Marcio C. S. de Mattos

Graphical AbstractA new and easy methodology for esterification and amidation of carboxylic

acids promoted by triphenylphosphine and tribromoisocyanuric acid

1116 Enantiomeric Separation of Sibutramine by Capillary Zone ElectrophoresisGabriel Hancu, Alexandra Hilochie, Alexandru-Robert Vlad, Anca Cârje and Amelia Tero-Vescan

Graphical AbstractChiral separation of sibutramine enantiomers by capillary zone

electrohoresis using cyclodextrins as chiral selectors

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