JBCS

7:18, Sun Sep 24

Open Access/APCs

vol. 24, No. 6, 2013, p. 891-1078

 

From Submission to Publication: How We Work with Your Manuscript

Surely, we, Editors, Authors, Referees and Readers, are looking for the same goal: a strong Journal of the Brazilian Chemical Society with high impact and sound contributions to the development of chemical sciences. Last year, we reached an impact factor of 1.43 and of course we do want to move ahead. However, we may sometimes have conflicting interests and we want to point out some details about our publication process and goals just to remind you of some ideas.
We have clear guidelines for authors (please, see http://jbcs.sbq.org.br/conteudo.asp?page=14) and, as stated, we focus on publication of Articles, Communications, Short Reports, Reviews, Accounts and Letters encompassing new aspects of chemistry and with original and significant contributions to an innovative chemical knowledge.

(Read more at Editorial)


Cover Article
J. Braz. Chem. Soc. 2013, 24(6), 973-982

Correlation between Chemical Composition and Sensory Properties of Brazilian Sugarcane Spirits (Cachaças)

Felipe A. T. Serafim; Fernanda R. F. Seixas; Alexandre A. Da Silva; Carlos A. Galinaro; Eduardo S. P. Nascimento; Silmara F. Buchviser; Luigi Odello; Douglas W. Franco

How to cite this article

Chemical and sensory aspects of sugarcane spirits (cachaças) are described aiming to better understanding their sensory and chemical characteristics and their possible correlations. Chemometrics treatment of the beverage's chemical and sensory evaluation data provide a model to predict the cachaça's quality and consumer's acceptance based on chemical descriptors. Details are presented in the Article Correlation between Chemical Composition and Sensory Properties in Sugarcane Spirits by Felipe A. T. Serafim, Fernanda R. F. Seixas, Alexandre A. Da Silva, Carlos A. Galinaro, Eduardo S. P. Nascimento, Silmara F. Buchviser, Luigi Odello and Douglas W. Franco on page 973.

http://dx.doi.org/10.5935/0103-5053.20130125

Published online: May 24, 2013

Editorial J. Braz. Chem. Soc. 2013, 24(6), 891-894

From Submission to Publication: How We Work with Your Manuscript

Joaquim A. Nóbrega; Watson Loh

How to cite this article

 

http://dx.doi.org/10.5935/0103-5053.20130139


Articles J. Braz. Chem. Soc. 2013, 24(6), 895-903

Green and Selective Synthesis of N-Substituted Amides using Water Soluble Porphyrazinato Copper(II) Catalyst

Sara S. E. Ghodsinia; Batool Akhlaghinia; Elham Safaei; Hossein Eshghi

How to cite this article

 

[Cu(2,3-tmtppa)](MeSO4)4 efficiently catalyzes the direct conversion of nitriles to N-substituted amides with primary amines. The one pot selective synthesis of the N-substituted amide was performed in refluxing H2O.

http://dx.doi.org/10.5935/0103-5053.20130115

Published online: May 21, 2013


J. Braz. Chem. Soc. 2013, 24(6), 904-913

Development and Validation of a Micellar Electrokinetic Capillary Chromatographic Method for the Assessment of Nucleosides, Potential Biomarkers, in Blood Serum

Adriana Z. Buzatto; Sumaya F. Guedes; Lucas T. Vidotto; Laurione C. Oliveira; Ana Valéria C. Simionato

How to cite this article

 

The separation of ten modified nucleosides by capillary electrophoresis with UV detection (CE-UV) was accomplished by the use of an anionic surfactant in the background electrolyte, within 25 min and high efficiency (ca. 105). The method presents appropriate detectability, linearity, precision and accuracy and may be applied for the analyses of blood samples from cancer patients.

http://dx.doi.org/10.5935/0103-5053.20130116

Published online: May 21, 2013

J. Braz. Chem. Soc. 2013, 24(6), 914-921

Ultrasound-Assisted Synthesis of 1-N-β-D-Glucopyranosyl-1H-1,2,3-triazole Benzoheterocycles and their Anti-Inflammatory Activities

Gilson B. da Silva; Bruna M. Guimarães; Shalom P. O. Assis; Vera L. M. Lima; Ronaldo N. de Oliveira

How to cite this article

 

Glucopyranosyl-triazoles were synthesized in good yields under ultrasound activation. NOE experiments showed a solvent effect on the conformational equilibrium. The glucoheterocycles revealed potent anti-inflammatory activity.

http://dx.doi.org/10.5935/0103-5053.20130117

Published online: May 21, 2013


J. Braz. Chem. Soc. 2013, 24(6), 922-930

A Voltammetric Study on the Adsorption of Cd(II) and Zn(II) on Marine Microalgae Tetraselmis gracilis (Kylin) Butcher

Kamila dos Santos Maguerroski; Marilda Rigobello-Masini; Jorge C. Masini

How to cite this article

 

Biosorption of Cd(II) and Zn(II) by the marine microalgae T. gracilis was studied. Adsorption capacity and binding stability were higher for Zn(II) in comparison with Cd(II). Zinc inhibited the adsorption of Cd(II), but minor adsorption sites with strong affinity for Cd(II) were observed, suggesting that under depletion of Zn(II), bioaccumulation of Cd(II) may occur.

http://dx.doi.org/10.5935/0103-5053.20130118

Published online: May 21, 2013

J. Braz. Chem. Soc. 2013, 24(6), 931-938

Uncertainty in the Determination of Glucose and Sucrose in Solutions with Chitosan by Enzymatic Methods

Berta N. Estevinho; Amélia Ferraz; Lúcia Santos; Fernando Rocha; Arminda Alves

How to cite this article

 

The global uncertainty (U) combines the contributions of all the sources of error linked to the analytical procedure. U1, U2, U3 and U4 are the uncertainties associated to standard preparation, calibration curve, precision and accuracy, respectively.

http://dx.doi.org/10.5935/0103-5053.20130119

Published online: May 21, 2013

J. Braz. Chem. Soc. 2013, 24(6), 939-945

Investigation of the Interaction of Sertraline with Calf Thymus DNA by Spectroscopic Methods

Parisa S. Dorraji; Fahimeh Jalali

How to cite this article

 

Sertraline, an antidepressant drug, has a high affinity with calf thymus DNA at physiological pH conditions. The interaction of sertraline with DNA was investigated by various methods. Minor-groove binding mode was concluded as a result of this study.

http://dx.doi.org/10.5935/0103-5053.20130123

Published online: May 21, 2013


J. Braz. Chem. Soc. 2013, 24(6), 946-952

Blends of Soybean Biodiesel with Petrodiesel: Direct Quantitation via Mass Spectrometry

Patrícia V. Abdelnur; Sergio A. Saraiva; Rodrigo R. Catharino; Mirela Coelho; Nicolas Schwab; Camila M. Garcia; Ulf Schuchardt; Vanderléa de Souza; Marcos N. Eberlin

How to cite this article

 

Schematic representation of the Venturi easy ambient sonic-spray ionization in its liquid mode (VL-EASI) analysis of Bn blends. A droplet of the Bn blend is diluted in acidified methanol and simply sprayed using a homemade VL-EASI source for the direct mass spectrometric analysis.

http://dx.doi.org/10.5935/0103-5053.20130120

Published online: May 21, 2013

J. Braz. Chem. Soc. 2013, 24(6), 953-961

Synthesis and Phytotoxic Activity of 1,2,3-Triazole Derivatives

Thiago F. Borgati; Rosemeire B. Alves; Róbson R. Teixeira; Rossimiriam P. de Freitas; Thays G. Perdigão; Silma F. da Silva; Aline Aparecida dos Santos; Alberto de Jesús O. Bastidas

How to cite this article

 

The increasing of herbicide resistant weeds has been stimulating researchers to find new chemical control agents. Within this context, heterocyclic compounds play an important role. Described in this work is the synthesis and phytotoxic evaluation of novel 1,2,3-triazole bearing halogenated benzyl moieties.

http://dx.doi.org/10.5935/0103-5053.20130121

Published online: May 21, 2013


J. Braz. Chem. Soc. 2013, 24(6), 962-972

2D Chemometric Studies of a Series of Azole Derivatives Active against Fluconazole-Resistant Cryptococcus gattii

Humberto F. Freitas; Tania F. Barros; Marcelo S. Castilho

How to cite this article

 

Classification and quantitative models were developed to determine which features are relevant to the antifungal activity of a series of 33 azole derivatives assayed against Cryptococcus gattii. From these models, electronic characteristics were highlighted as important for antifungal activity and targeted to structural changes in this series of compounds.

http://dx.doi.org/10.5935/0103-5053.20130122

Published online: May 21, 2013


J. Braz. Chem. Soc. 2013, 24(6), 973-982

Correlation between Chemical Composition and Sensory Properties of Brazilian Sugarcane Spirits (Cachaças)

Felipe A. T. Serafim; Fernanda R. F. Seixas; Alexandre A. Da Silva; Carlos A. Galinaro; Eduardo S. P. Nascimento; Silmara F. Buchviser; Luigi Odello; Douglas W. Franco

How to cite this article

 

This manuscript describes the search for a correlation between 36 chemical compounds and 10 sensory attributes using principal components analysis. A chemical model was then developed using linear discriminant analysis and tested as an alternative tool to classify cachaças according to their sensory qualities.

http://dx.doi.org/10.5935/0103-5053.20130125

Published online: May 24, 2013


J. Braz. Chem. Soc. 2013, 24(6), 983-990

Development of a New Version of an Automatic Commutator Injector and a Procedure for the Photometric Determination of Ethanol in Distilled Spirits

Felisberto G. Santos; Boaventura F. Reis

How to cite this article

 

Figure presents an overview of the new version of the automatic injector showing its configuration ready to be used. This design facilitated the replacement of the movable part and contributed to reducing the friction, thereby allowing the use of a small DC motor to move the central piece from the sampling position to the injection position and vice versa.

http://dx.doi.org/10.5935/0103-5053.20130126

Published online: May 24, 2013

J. Braz. Chem. Soc. 2013, 24(6), 991-997

Classification of Tablets containing Dipyrone, Caffeine and Orphenadrine by Near Infrared Spectroscopy and Chemometric Tools

Carlos Alan D. Melo; Priscila Silva; Adriano de Araújo Gomes; David Douglas S. Fernandes; Germano Véras; Ana Claudia D. Medeiros

How to cite this article

 

A method is proposed for classifying drugs with dypirone, orphenadrine and caffeine. The chemometric models were SIMCA, GA-LDA and SPA-LDA with NIR spectroscopy. All models obtained 100% correct classification, using full, 12 and 2 variables. The results indicate potential for use as a tool in drug quality control.

http://dx.doi.org/10.5935/0103-5053.20130127

Published online: May 24, 2013

J. Braz. Chem. Soc. 2013, 24(6), 998-1005

Matrix Effect on Butyltin Analysis of Sediments and Fish Tissues by GC-PFPD

Dayana M. dos Santos; Mary Rosa R. de Marchi; Ana Flávia L. Godoi; Alexander Turra; Rosalinda C. Montone

How to cite this article

 

Matrix effect can occur in chromatographic analysis of organotin compounds, such as tributyltin (TBT) by gas chromatography with pulsed flame photometric detection (GC-PFPD), mainly involving complex matrices, such as fish tissues, while it is not observed in abiotic samples.

http://dx.doi.org/10.5935/0103-5053.20130129

Published online: May 28, 2013

J. Braz. Chem. Soc. 2013, 24(6), 1006-1011

Absolute Configuration and Enantiomeric Composition of Partially Resolved Mandelic, Atrolactic and Lactic Acids by 1H NMR of their (S)-2-Methylbutyl Esters

Francisco A. da C. Andrade; Maricleide P. de L. Mendes; Neuracy C. da Fonseca

How to cite this article

 

Configurations for the original acids were attributed, chemical shifts of the geminal protons were assigned and enantiomeric compositions were determined. The suggested structural model correlates the deshielding effects of the ethyl and methyl groups over the protons situated in the opposite face.

http://dx.doi.org/10.5935/0103-5053.20130128

Published online: May 28, 2013


J. Braz. Chem. Soc. 2013, 24(6), 1012-1017

Morphology of Soy Protein Isolate at Oil/Water and Oil/Air Interfaces

Samira J. Fayad; Betina G. Zanetti-Ramos; Pedro L. M. Barreto; Valdir Soldi; Edson Minatti

How to cite this article

 

Soy protein isolate (SPI) was used as an emulsifier for oil in water (o/w) emulsions to obtain microcapsules after drying. The results show that the morphology of the protein chains changed when nested at different interfaces and the capsule walls were made from the fractal aggregation of single chains.

http://dx.doi.org/10.5935/0103-5053.20130130

Published online: May 29, 2013

J. Braz. Chem. Soc. 2013, 24(6), 1018-1026

Theoretical Studies on High Energetic Density Polynitroimidazopyridines

Ming Lu; Guozheng Zhao

How to cite this article

 

Density functional theory (DFT) was employed to study polynitroimidazopyridines at the B3LYP/6-31+G(d) level. The simulation results reveal that two molecules perform similarly to 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX), and other two molecules may be potential candidates for high energy density compounds (HEDCs).

http://dx.doi.org/10.5935/0103-5053.20130131

Published online: June 4, 2013

J. Braz. Chem. Soc. 2013, 24(6), 1027-1033

Separation and Preconcentration of Dioxin in Blood Samples by Nano-baskets of Calixarene and Inclusion Emulsion Membranes

Bahram Mokhtari; Kobra Pourabdollah

How to cite this article

 

The novelty of this study is the application of nano-baskets of calixarene in the selective and efficient preconcentration and separation of dioxin. For this aim, four derivatives of p-tert-calix[4]arene bearing different sulfonamide moieties were synthesized and their inclusion-extraction parameters were optimized.

http://dx.doi.org/10.5935/0103-5053.20130132

Published online: June 4, 2013

J. Braz. Chem. Soc. 2013, 24(6), 1034-1040

An in situ Ionic Liquid Dispersive Liquid-Liquid Microextraction Method for the Detection of Pyrethroids by LC-UV in Environmental Water Samples

Chen Yu; Sanbing Zhang; Jiaheng Zhang; Songqing Li; Wenfeng Zhou; Haixiang Gao; Runhua Lu

How to cite this article

 

The remarkable advantage of in-situ metathesis reaction assisted IL-DLLME is that it does not require the utilization of an organic disperser solvent. The typical chromatogram indicates that the matrix complexity had little effect on this method.

http://dx.doi.org/10.5935/0103-5053.20130133

Published online: June 4, 2013

J. Braz. Chem. Soc. 2013, 24(6), 1041-1048

NEXAFS and FTIR-ATR Investigation of the Static and Dynamic Superhydrophobicity of Functionalized Titanium Dioxide Nanoparticle Coatings

Rajajeyaganthan Ramanathan; Daniel E. Weibel

How to cite this article

 

The superhydrophobic surfaces (static water contact angle (WCA) > 159°) fabricated using aqueous and non-aqueous solvents were probed in detail by NEXAFS and FTIR-ATR. The chemical heterogeneity of the surface determined the dynamic of the wetting phenomena without altering the static component of the superhydrophobicity.

http://dx.doi.org/10.5935/0103-5053.20130134

Published online: June 4, 2013

J. Braz. Chem. Soc. 2013, 24(6), 1049-1056

Characterizing New Molecular Species: A Systematic Study of Stationary States on the Singlet [H, Se, Br] Potential Energy Surface

Willian Hermoso; Debora B. Morf; Fernando R. Ornellas

How to cite this article

 

Geometric parameters and energy profile showing the relative stability of the isomers HSeBr and HBrSe, the barrier height to isomerization and the dissociation channels.

http://dx.doi.org/10.5935/0103-5053.20130135

Published online: June 5, 2013

J. Braz. Chem. Soc. 2013, 24(6), 1057-1063

Phonon Confinement Model to Measure the Average Sizes of Anatase Nanoparticles Synthesized by a Solvothermal Method Using H2O2

Bartolomeu C. Viana; Juliana Sousa Gonçalves; Valdemir dos Santos; Maria Rita de M. C. Santos; Elson Longo; Francisco E. P. Santos; José Milton Elias de Matos

How to cite this article

 

Anatase nanoparticle size measurements employed Raman spectroscopy and the phonon confinement model in comparison with TEM images and particle size distribution.

http://dx.doi.org/10.5935/0103-5053.20130136

Published online: June 5, 2013


J. Braz. Chem. Soc. 2013, 24(6), 1064-1071

Thermodynamic Simulation of Phosphate Precipitation based on Ion-Selective Microelectrode Measurements

Gustavo M. Platt; Ivan N. Bastos; Mônica C. de Andrade; Marina Taryba; Sviatlana V. Lamaka; Alda Simões; Glória D. Soares

How to cite this article

 

Experimental monitoring and computational simulation of titanium surface modifications during biomimetic coating. Before: Bare titanium. The pH-microelectrode can be seen at 45° towards the center. After: Coated titanium

http://dx.doi.org/10.5935/0103-5053.20130137

Published online: June 5, 2013

J. Braz. Chem. Soc. 2013, 24(6), 1072-1078

Determination of Nickel in Alcoholic Beverages by FAAS after online Preconcentration using Mandarin Peel (Citrus reticulata) as Biosorbent

Gabriela C. Ribeiro; Luciana M. Coelho; Nívia M. Melo Coelho

How to cite this article

 

The figure shows mandarin orange (Citrus reticulata) used as a biosorbent in an on-line system coupled to flame atomic absorption spectrometry for the preconcentration and determination of nickel in alcoholic beverages.

http://dx.doi.org/10.5935/0103-5053.20130138

Published online: June 5, 2013

Online version ISSN 1678-4790 Printed version ISSN 0103-5053
Journal of the Brazilian Chemical Society
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