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22/3/2012


Saiu o JBCS número 3 - Volume 23




The Brazilian Chemical Society and the International Year of Chemistry

The International Year of Chemistry (IYC) was greatly celebrated in 2011 both in Brazil and around the world. Chemists had a great opportunity to show their nations the variety of benefits brought by Chemistry, providing solutions so that men and women from all ages can have what is necessary for a life of quality: food, water, clothing, housing, medicines, transportation, entertainment, culture and safety.

(Read more at Editorial)


Table of Contents with Graphical Abstracts



COVER ARTICLE

Evaluation of Inductively Coupled Plasma Mass Spectrometry for Determining Ca, Cu, Fe, Mg, Mn, Se and Zn in Bovine Semen Samples using a Simple Sample Dilution Method
Giovanna F. M. Aguiar, Bruno L. Batista, Jairo L. Rodrigues, Pedro O. Luccas and
Fernando Barbosa Jr.
Semen analysis for trace element determination is a useful tool to evaluate the sperm quality in reproduction and artificial insemination programs. The use of inductively coupled plasma spectrometry (ICP-MS) with a simple sample dilution procedure is proposed to determine Ca, Cu, Fe, Mg, Mn, Se and Zn in bovine semen and to establish reference ranges for different breeds. Details are discussed on page 573.

>> Editorial(334 KB)
The Brazilian Chemical Society and the International Year of Chemistry
Angelo C. Pinto, Fernando Galembeck and Jailson B. de Andrade
J. Braz. Chem. Soc. 2012, 23, 373.

ARTICLES

Polypyrrole Coating Doped with Dihydrogenophosphate Ion to Protect Aluminium Against Corrosion in Sodium Chloride Medium
José Inácio Martins, Lenka Diblikova, Mohammed Bazzaoui and M.C. Nunes
J. Braz. Chem. Soc. 2012, 23, 377.



This work investigated the pyrrole electropolymerization on aluminium from phosphoric acid solutions. A mechanism is proposed to explain the protection of aluminium against corrosion by PPy coating in chloride medium
>> PDF (1,39 MB)
Published online: December 15, 2011.

Monte Carlo Simulation for the Evaluation of Measurement Uncertainty of Pharmaceutical Certified Reference Materials
Werickson F. C. Rocha and Raquel Nogueira
J. Braz. Chem. Soc. 2012, 23, 385.

Uncertainty estimation is essential to ensure metrological traceability of measurement results to the International System of Units (SI). The application of the Monte Carlo method, an alternative approach to the traditional method (GUM), is demonstrated for uncertainty estimation of captopril and metronidazole mass fractions in two new certified reference materials (CRM)
>> PDF (619 KB)
Published online: December 20, 2011.

Synthesis by Precipitation Polymerization of a Molecularly Imprinted Polymer Membrane for the Potentiometric Determination of Sertraline in Tablets and Biological Fluids
Majid Arvand and Masoumeh Hashemi
J. Braz. Chem. Soc. 2012, 23, 392.

Polymerization with the cross-linker in the presence of the complex using an initiator, and subsequent removal of the template to yield a substrate binding pocket complementary to the polymer
>> PDF (608 KB)
Published online: December 20, 2011.

ß-Lactam Antibiotics Epitope Mapping with STD NMR Spectroscopy: a Study of Drug-Human Serum Albumin Interaction
Cíntia D. F. Milagre, Luís F. Cabeça, Wanda P. Almeida and Anita J. Marsaioli
J. Braz. Chem. Soc. 2012, 23, 403.

Herein, we investigated the interactions of four ß-lactam antibiotics belonging to two classes (cephalosporins and penicillins) with human serum albumin (HSA) by 1H STD NMR (saturation transfer difference nuclear magnetic resonance spectroscopy) reveling that the interaction between the aromatic moiety and HSA is responsible for the binding efficiency
>> PDF (2,15 MB) / >> Supplementary Information (1,03 MB)
Published online: December 20, 2011.

Electrospray Ionization Mass Spectrometry Fingerprinting of Extracts of the Leaves of Arrabidaea chica
Adriana L. Schiozer, Elaine C. Cabral, Luiz A. F. de Godoy, Francisco C. M. Chaves, Ronei J. Poppi, José M. Riveros, Marcos N. Eberlin and Lauro E. S. Barata
J. Braz. Chem. Soc. 2012, 23, 409.
Arrabidaea chica (crajiru) is an important Amazonian plant that is used as antimicrobial agent. Direct infusion was used to differentiate three distinct varieties via electrospray ionization mass spectrometry (ESI(+)-MS) fingerprinting. 3-Deoxyanthocyanidin cations were used as markers in the PLS-DA (partial least squares-discriminant analysis) data treatment
>> PDF (519 KB) / >> Supplementary Information (1,11 MB)
Published online: January 10, 2012.

Intercalation and Electrical Behavior of TaxMo1-xS2 (x > 0.5) Layered Mixed Disulfides
Nelson Lara, Pilar Aranda, Ana I. Ruiz, Víctor Manríquez and Eduardo Ruiz-Hitzky
J. Braz. Chem. Soc. 2012, 23, 415.



The structural and electrical behavior of three TaxMo1-xS2 phases and their intercalation products with lithium, pyridine and poly(ethylene oxide) were studied and characterized by means of X-ray powder diffractometry (XRD), thermogravimetric and differential thermal (TGA/DTA) analyses, energy dispersive X-ray fluorescence (EDX) and field emission-scanning electron microscopy (FE-SEM) techniques. The electrical conductivity was measured under a 9 T magnetic field in order to verify the occurrence of magnetoresistivity phenomena
>> PDF (1,15 MB) / >> Supplementary Information (486 KB)
Published online: January 10, 2012.

Characterization of Thermoplastic Starch/Poly(Lactic Acid) Blends Obtained by Extrusion and Thermopressing
Carmen M. O. Müller, Alfredo T. N. Pires and Fabio Yamashita
J. Braz. Chem. Soc. 2012, 23, 426.
The figure shows the micrographs of the thermoplastic starch film with 30% of PLA (M3030), not treated (a) and treated (b) with chloroform, where the phase domains can be observed
>> PDF (1,06 MB)
Published online: January 10, 2012.

Development Studies of a New Metronidazole Certified Reference Material
Raquel Nogueira, Werickson F. C. Rocha, Thaís E. Silva, Eliane C. P. Rego, Gabriela F. Moreira, Wagner Wollinger and Janaína M. Rodrigues
J. Braz. Chem. Soc. 2012, 23, 435.



Certified reference materials (CRM) can ensure metrological traceability of measurement results to the international system of units (SI). The certification procedure includes material characterization, homogeneity and stability studies, and uncertainties estimation, as exemplified for the metronidazole CRM, second Brazilian CRM of an active pharmaceutical ingredient (API)
>> PDF (709 KB)
Published online: January 10, 2012.

LC, LC-MS/MS Studies for the Identification and Characterization of Degradation Products of Hydrochlorothiazide and Establishment of Mechanistic Approach towards Degradation
Anand Avinash Mahajan, Anil Keshavlal Thaker and Krishnapriya Mohanraj
J. Braz. Chem. Soc. 2012, 23, 445.



Selective LC-MS compatible stability indicating method was developed and validated. Degradants were characterized by LC-MS/MS. Fragmentation pattern and mechanism of degradation was established for hydrochlorothiazide
>> PDF (352 KB)
Published online: January 10, 2012.

Quantification of Autoantibodies to Annexin V in Plasma by an “In House” Sandwich ELISA
Héctor F. Pelusa, María de los Ángeles Valdés, Stella M. Daniele, Adriana M. Almará, María J. Svetaz, Mariela Bearzotti, Cecilia V. Paparella, Beatriz R. Bouvet, Sergio A. Ghersevich and
Sandra M. Arriaga
J. Braz. Chem. Soc. 2012, 23, 453.
Validation of a simple and sensitive method for quantification of autoantibodies to annexin V in plasma with high reproducibility and reliability. Calibration curves for IgG and IgM isotypes were obtained by plotting optical density vs. concentration of the calibrators used (5, 15, 30, 40 and 80 U mL-1) in a semilogarithmic scale
>> PDF (498 KB)
Published online: January 10, 2012.

Short-Term Toxicity Test: Monitoring Klebsiella oxytoca Bacterium Respiration using a Flow Injection Analysis/Conductometric System
José R. Guimarães, Carolina R. T. Farah and Pedro S. Fadini
J. Braz. Chem. Soc. 2012, 23, 461.



The Klebsiella oxytoca bacterium was used as a test organism in toxicity evaluations of metals (Hg2+, Cd2+ and Cu2+) and detergents (Laborhex 2 and Riodeine Degermant). The inhibition of bacterial growth was quantified by flow injection analysis (FIA) via conductometric measurements of the CO2 produced during respiration
>> PDF (388 KB)
Published online: January 17, 2012.

Determination of Ursolic Acid and Ursolic Acid Lactone in the Leaves of Eucalyptus tereticornis by HPLC
Anupam Maurya and Santosh Kumar Srivastava
J. Braz. Chem. Soc. 2012, 23, 468.

A validated RP-HPLC method developed for the simultaneous quantification of ursolic acid (UA) and ursolic acid lactone (UAL) in the leaf extract of E. tereticornis with excellent precision, accuracy, linearity. This method can be routinely used for the analysis of UA and UAL in the extracts and formulations containing E. tereticornis leaves
>> PDF (311 KB) / >> Supplementary Information (118 KB)
Published online: January 24, 2012.

Determination of Mesalamine by Spectrofluorometry in Human Serum after Solid.Phase Extraction with Ni-Al Layered Double Hydroxide as a Nanosorbent
Hossein Abdolmohammad-Zadeh and Solmaz Kohansal
J. Braz. Chem. Soc. 2012, 23, 473.



The effect of pH upon the retention of mesalamine (5-aminosalicylic acid) on the Ni-Al (NO3-) layered double hydroxide as a nanosorbent in solid-phase extraction system is shown. The highest extraction efficiency was achieved between pH 4 and 9
>> PDF (653 KB)
Published online: January 24, 2012.

Ceramides and Cytotoxic Constituents from Ficus glumosa Del. (Moraceae)
Frédéric Nana, Louis Pergaud Sandjo, Félix Keumedjio, Pantaléon Ambassa, Rizwana Malik, Victor Kuete, Vincent Rincheval, Muhammad Iqbal Choudhary and Bonaventure Tchaleu Ngadjui
J. Braz. Chem. Soc. 2012, 23, 482.

Structures of new phytoceramides and the most cytotoxic compound (saponine) isolated from Ficus glumosa (Moraceae)
>> PDF (307 KB) / >> Supplementary Information (1,89 MB)
Published online: January 24, 2012.

Determination of Bromine, Fluorine and Iodine in Mineral Supplements using Pyrohydrolysis for Sample Preparation
Ticiane Taflik, Fábio A. Duarte, Éder L. M. Flores, Fabiane G. Antes, José N. G. Paniz, Érico M. M. Flores and Valderi L. Dressler
J. Braz. Chem. Soc. 2012, 23, 488.



Pyrohydrolysis was employed for mineral supplements decomposition prior to F, Br and I determination by potentiometry (F) and inductively coupled plasma mass spectrometry
(Br and I)
>> PDF (367 KB)
Published online: January 24, 2012.

Volatile Organic Compound Emissions from a Landfill, Plume Dispersion and the Tropospheric Ozone Modeling
Sérgio M. Corrêa, Carolina V. de Souza, Eduardo D. Sodré and Jorgina R. Teixeira
J. Braz. Chem. Soc. 2012, 23, 496. 16.11-177AR(9)+(1)
Volatile organic compound (VOCs) emissions from a landfill soil. Sampling with flow chamber method with later plume dispersion modeling and impact on tropospheric ozone formation
>> PDF (828 KB) / >> Supplementary Information (1,04 MB)
Published online: January 24, 2012.

Electrodeposition of ZnO from DMSO Solution: Influence of Anion Nature and its Concentration in the Nucleation and Growth Mechanisms
Gonzalo Riveros, Daniel Ramírez, Alejandra Tello, Ricardo Schrebler, Rodrigo Henríquez and Humberto Gómez
J. Braz. Chem. Soc. 2012, 23, 505.



The influence of different anions and their concentration on the characteristics of ZnO electrodeposits were studied in dimethylsulfoxide (DMSO) medium. Changes in the nucleation and growth mechanism during the electrochemical process are directly related to the electrolytic solution composition

>> PDF (975 KB)
Published online: January 26, 2012.

Topological Study of the First Step of Nucleophilically Unassisted Solvolysis of Protonated 2-Endo/Exo-Norbornanol and Protonated 2-Endo/Exo-Oxabicycloheptanol
Caio L. Firme
J. Braz. Chem. Soc. 2012, 23, 513.



Representation of critical points of the PES of the first step of the nucleophilically unassisted solvolysis of protonated 2-endo- and 2-exo-norbornanol as optimized geometries (1-GS, 2-GS, 2-norbornyl cation and water) and molecular graphs (1-TS and 2-TS)
>> PDF (1,03 MB) / >> Supplementary Information (257 KB)
Published online: January 26, 2012.

RP TLC-Based Lipophilicity Assessment of Some Natural and Synthetic Coumarins
El Hadi M. A. Rabtti, Maja M. Natic, Dusanka M. Milojkovic-Opsenica, Jelena D. Trifkovic,
Ivan M. Vuckovic, Vlatka E. Vajs and Zivoslav Lj. Tesic
J. Braz. Chem. Soc. 2012, 23, 522.



The lipophilic character of twelve coumarins was investigated by reversed-phase thin-layer chromatography (RP TLC) on RP-18 silica. Two lipophilicity parameters (RM0 and log POW) together with 2D molecular descriptors were subjected the multivariate statistical analysis (principal component analysis (PCA) and partial least square (PLS) regression) in order to reveal the most influential factors governing the retention, i.e., lipophilicity of the investigated compounds
>> PDF (510 KB) / >> Supplementary Information (1,00 MB)
Published online: January 31, 2012.

Self-Assembled Films from Chitosan and Poly(Vinyl Sulfonic Acid) on Nafion® for Direct Methanol Fuel Cell
Leonardo Vinhola, Tiago Facci, Luis G. Dias, Dayse C. de Azevedo, Galina Borissevitch and
Fritz Huguenin
J. Braz. Chem. Soc. 2012, 23, 531.



Layer-by-Layer films from chitosan and poly(vinyl sulfonic acid) deposited onto Nafion® membranes for direct methanol fuel cells, targeting the reduced methanol crossover and the avoidance of significant increase in the proton resistance
>> PDF (913 KB) / >> Supplementary Information (186 KB)
Published online: January 31, 2012.

Method Development for 234U and 230Th Determination and Application to Fossil Deep-Water Coral and Authigenic Carbonate Dating from the Campos
Basin - Brazil
Ronaldo J. Vivone, Maria Luiza D. P. Godoy, José Marcus Godoy and Guaciara M. Santos
J. Braz. Chem. Soc. 2012, 23, 538.
Deep-sea fossil coral sample, Lophelia pertusa, taken from Campos Basin sediment cores. These fossils coral occur buried in the sediments as a sequence of appearance/disappearance, ages on the range of 9 to 202 kyears were obtained applying 230Th/234U and 14C dating
>> PDF (952 KB)
Published online: January 31, 2012.

Fast Direct Determination of Titanium Dioxide in Toothpastes by X-Ray Fluorescence and Multivariate Calibration
Nicolas V. Schwab, José Augusto Da-Col, Juliana Terra and Maria Izabel M. S. Bueno
J. Braz. Chem. Soc. 2012, 23, 546.
Figure shows the steps for determining TiO2 in toothpastes, after the calibration model is ready to be used. Figure translates associated aspects of the developed method as a green chemistry strategy, with minimal sample manipulation and high sample throughput
>> PDF (1,22 MB)
Published online: January 31, 2012.

Development of Plurimetallic Electrocatalysts Prepared by Decomposition of Polymeric Precursors for EtOH/O2 Fuel Cell
Lívia M. Palma, Thiago S. Almeida and Adalgisa R. de Andrade
J. Braz. Chem. Soc. 2012, 23, 555.


This article describes the preparation and application of plurimetallic catalysts that can be applied in direct ethanol fuel cell. The effect of mixed catalysts in the efficiency of oxidation of ethanol in fuel cell operation conditions is discussed
>> PDF (541 KB)
Published online: January 31, 2012.

Cyclic Voltammetry and Computational Chemistry Studies on the Evaluation of the Redox Behavior of Parabens and other Analogues
Eric de S. Gil, Carolina H. Andrade, Núsia L. Barbosa, Rodolpho C. Braga and Sílvia H. P. Serrano
J. Braz. Chem. Soc. 2012, 23, 565.



Correlation between chain length, electron density and anodic potential
>> PDF (1,19 MB)
Published online: January 31, 2012.

Evaluation of Inductively Coupled Plasma Mass Spectrometry for Determining
Ca, Cu, Fe, Mg, Mn, Se and Zn in Bovine Semen Samples using a Simple Sample Dilution Method
Giovanna F. M. Aguiar, Bruno L. Batista, Jairo L. Rodrigues, Pedro O. Luccas and
Fernando Barbosa Jr.
J. Braz. Chem. Soc. 2012, 23, 573. cover article



A dilute-and-shoot procedure for trace element determination in bovine semen samples by inductively coupled plasma spectrometry (ICP-MS)
>> PDF (281 KB)
Published online: February 2, 2011.





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