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26/1/2012


Saiu o JBCS número 1 - Volume 23



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Fonte: Editoria do JBCS



Table of Contents with Graphical Abstracts



COVER ARTICLE

Molecular Docking and Molecular Dynamic Studies of Semi-Synthetic Piperidine Alkaloids as Acetylcholinesterase Inhibitors
Amanda Danuello, Nelilma C. Romeiro, Guilherme M. Giesel, Marcos Pivatto, Claudio Viegas Jr., Hugo Verli, Eliezer J. Barreiro, Carlos A. M. Fraga, Newton G. Castro and Vanderlan S. Bolzani
This cover figure was inspired in the rare alkaloids (-)-spectaline and (-)-cassine accumulated in the beautiful yellow flowers of Senna spectabilis. This creative art simulates the best docking pose obtained for (-)-O-acetyl-cassine in active site of acetylcholinesterase. Details are discussed in the Article Molecular Docking and Molecular Dynamic Studies of Semi-Synthetic Piperidine Alkaloids as Acetylcholinesterase Inhibitors by Danuello et al. on page 163.


>> Editorial(220 KB)
New year, new challenges!
Jaísa Fernandes Soares and Watson Loh
J. Braz. Chem. Soc. 2012, 23, 1.

COMMUNICATIONS

Asymmetric Organocatalytic Synthesis of β-Hydroxyynones with a Quaternary Carbon Center under Aqueous Conditions
Guowei Kang, Jun Jiang, Hongxin Liu and Huayue Wu
J. Braz. Chem. Soc. 2012, 23, 5.



The chiral thiourea catalyzed direct aldol reaction of unmodified methyl ynones under aqueous conditions is described. This procedure afforded β-hydroxyynones bearing a quaternary carbon center with moderate to good yields and enantioselectivities
>> PDF (223 KB) / >> Supplementary Information (1,91 MB)
Web Release date: November 17, 2011.

A Polyether Glycol Derived from Cashew Nutshell as a Kinetic Inhibitor for Methane Hydrate Formation
Jorge Cesar Ferreira, Adriana Teixeira and Pierre M. Esteves
J. Braz. Chem. Soc. 2012, 23, 11.



A polyether glycol obtained from cardanol presented significant ability to the inhibition of methane hydrate
>> PDF (622 KB) / >> Supplementary Information (1,07 MB)
Web Release date: November 29, 2011.

REVIEW

Biomedical Applications of Nanobiosensors: the State-of-the-Art
Mahendra Rai, Aniket Gade, Swapnil Gaikwad, Priscyla D. Marcato and Nelson Durán
J. Braz. Chem. Soc. 2012, 23, 14.



Optical nanobiosensors with nanometric-sized dimensions opened new researches for intra-cellular monitoring leading to develop sensitive robust and reproducible nanobiosensors. The sensors are equipped with immobilized bio-receptor probes, e.g. antibodies, enzyme substrate etc and these probes will revolutionize the future of disease diagnosis
>> PDF (576 KB)
Web Release date: October 18, 2011.

ARTICLES

Synthesis, Characterization and Photophysical Properties of ESIPT Reactive Triazine Derivatives
Marcelo D. Kuplich, Fábio S. Grasel, Leandra F. Campo, Fabiano S. Rodembusch and Valter Stefani
J. Braz. Chem. Soc. 2012, 23, 25.



We present four reactive ESIPT fluorescent 1,3,5-triazine derivatives from nucleophilic aromatic substitution of cyanuric chloride. The dyes are fluorescent by an intramolecular proton transfer mechanism in the blue-orange region with a large Stokes shift. The incorporation of the dyes into cellulose fibers could be done successfully
>> PDF (800 KB) / >> Supplementary Information (2,43 MB)
Web Release date: October 11, 2011.

Pt L2,3 - Edge X-ray Absorption Spectroscopy Investigation of Zerovalent [Pt(PPh3)2(η2.L)] {L = C2H4, C60 and C2(CN)4} Compounds
Gilson H. M. Dias, Nazareth F. da Fonseca and Marcelo H. Herbst
J. Braz. Chem. Soc. 2012, 23, 32.

The dπ-orbital energy of three [Pt(PPh3)2(η2.L)] compounds {L = C2H4, C60 and C2(CN)4}, quantitatively determined by Pt L2,3 X-ray absorption spectroscopy (XAS), follows the order [Pt(PPh3)2((η2.C2H4)] < [Pt(PPh3)2((η2.C60)]) < [Pt(PPh3)2{(η2.C2(CN)4}], in line with the π-acidity of the olefin ligands
>> PDF (565 KB)
Web Release date: October 13, 2011.

Tributyltin in Crustacean Tissues: Analytical Performance and Validation of Method
Joyce Cristale, Dayana M. dos Santos, Bruno S. Sant’Anna, Daniela C. Sandron, Sara Cardoso, Alexander Turra and Mary Rosa R. de Marchi
J. Braz. Chem. Soc. 2012, 23, 39.

Gas chromatography with pulsed flame photometric detector (GCPFPD) has proved to be an advantageous technique for tributyltin (TBT) quantification in crustacean tissues when performed after extraction with an apolar solvent (toluene) followed by Grignard derivatization
>> PDF (285 KB)
Web Release date: October 13, 2011.

Layered Metal Laurates as Active Catalysts in the Methyl/Ethyl Esterification Reactions of Lauric Acid
Fábio da Silva Lisboa, José Eduardo F. da Costa Gardolinski,Claudiney S. Cordeiro and Fernando Wypych
J. Braz. Chem. Soc. 2012, 23, 46.

The work describes the catalytic activity of layered laurates in the methyl (ethyl) esterification reactions of lauric acid, for which conversions between 75 and 90% were observed. The catalysts were reused in three consecutive reaction cycles and some of them preserved the structure and retained the catalytic activity close to those observed in the first cycle
>> PDF (1,27 MB) / >> Supplementary Information (158 KB)
Web Release date: October 18, 2011.

Evaluation of Solid-Phase Microextraction using a Polythiophene Film and Liquid Chromatography with Spectrophotometric Detection for the Determination of
Antidepressants in Plasma Samples
Juciene A. Caris, Andréa R. Chaves and Maria Eugênia C. Queiroz
J. Braz. Chem. Soc. 2012, 23, 57.
Polythiophene films were electropolymerized on the surface of metal (stainless steel) wires for the development of solid-phase microextraction (SPME). These polymeric films were evaluated as SPME phases for the liquid chromatography (LC) analysis of antidepressants in plasma samples for toxicological analysis purpose
>> PDF (739 KB)
Web Release date: October 18, 2011.

Electrospray Ionization Tandem Mass Spectrometry of the Two Main Antimalarial Drugs: Artemether and Lumefantrine
Vanessa G. dos Santos, Ricardo J. Alves, Marcos N. Eberlin, Gerson A. Pianetti and Isabela C. César
J. Braz. Chem. Soc. 2012, 23, 65.
ESI(+)-MS/MS spectra of protonated lumefantrine (m/z 528), showing rich dissociation chemistry. Water loss is the most favored initial dissociation forming the major fragment ion of m/z 510. This elimination is likely favored due to the formation of a highly stable, fully delocalized, resonance stabilized benzyl-like cation, which may rearranges to a tropylium-like ion
>> PDF (1,16 MB) / >> Supplementary Information (114 KB)
Web Release date: October 18, 2011.

Migration of Phthalate-based Plasticizers from PVC and non-PVC Containers and Medical Devices
Marlei Veiga, Denise Bohrer, Paulo C. Nascimento, Adrian G. Ramirez, Leandro M. Carvalho and Regina Binotto
J. Braz. Chem. Soc. 2012, 23, 72.



Migration of phthalate-based plasticizers from hemodialyzers
>> PDF (307 KB)
Web Release date: October 18, 2011.

In Situ Solvent Formation Microextraction based on Ionic Liquids and 1-(2-Hydroxynaphtalene-1-yl)ethane Oxime for Determination of Zinc
Mehdi Hosseini, Nasser Dalali, Saeid Mohammad Nejad and Rostam Jamali
J. Braz. Chem. Soc. 2012, 23, 78.



Schematic diagram for preconcentration and determination of zinc by in situ solvent formation microextraction based on use of ionic liquid (IL) ) as an extractant solvent, sodium hexafluoro-phosphate (NaPF6) as an ion-pairing agent, 1-(2-hydroxynaphtalene-1-yl) ethane oxime as complexing agent and detection by flame atomic absorption spectrometry
>> PDF (313 KB)
Web Release date: October 18, 2011.

Advanced QSAR Studies on PPARδ Ligands Related to Metabolic Diseases
Vinícius G. Maltarollo, Danielle C. Silva and Káthia M. Honório
J. Braz. Chem. Soc. 2012, 23, 85.
Docking, HQSAR, CoMFA and ESP maps for the most potent compound of the series
>> PDF (2,95 MB) / >> Supplementary Information (191 KB)
Web Release date: October 20, 2011.

HPLC Determination of Histamine, Tyramine and Amino Acids in Shrimp By-Products
Carolina Bueno-Solano, Jaime López-Cervantes, Dalia I. Sánchez-Machado and Olga N. Campas-Baypoli
J. Braz. Chem. Soc. 2012, 23, 96.



In seafood products is possible the conversion of free amino acid to biogenic amines by microbial decarboxylation, therefore, the proposed HPLC method here may be useful for evaluation of the sanitary quality of various shrimp by-products
>> PDF (269 KB)
Web Release date: October 25, 2011.

Simultaneous Extraction and Detection of Ochratoxin A and Citrinin in Rice
Helen C. S. Hackbart, Luciana Prietto, Ednei G. Primel, Jaqueline Garda-Buffon and Eliana Badiale-Furlong
J. Braz. Chem. Soc. 2012, 23, 103.

This study compared four extraction procedures for the simultaneous determination of mycotoxins ochratoxin A and citrinin in samples of rice
>> PDF (258 KB)
Web Release date: October 25, 2011.

Direct Electrochemical Analysis of Dexamethasone Endocrine Disruptor in Raw Natural Waters
Thiago M. B. F. Oliveira, Francisco W. P. Ribeiro, Jefferson M. do Nascimento, Janete E. S. Soares, Valder N. Freire, Helena Becker, Pedro de Lima-Neto and Adriana N. Correia
J. Braz. Chem. Soc. 2012, 23, 110.



Square-wave voltammograms and the corresponding analytical curve for various concentrations of DMZ in raw natural waters on the HMDE under optimum conditions
>> PDF (711 KB)
Web Release date: October 25, 2011.

Morphology, Microstructure and Electrocatalytic Properties of Activated Copper Surfaces
Juan C. M. Gamboa, Denise F. S. Petri, Tânia M. Benedetti, Vinicius R. Gonçales and Mauro Bertotti
J. Braz. Chem. Soc. 2012, 23, 120.

The electrochemical reduction of nitrate and nitrite is facilitated at copper cathodes after activation of the surface in acidic medium. To understand in more details the morphologic change of the surface during the activation process and its correlation with electrochemical properties, images of the copper surface were obtained by scanning electron microscopy (SEM) and atomic force microscopy (AFM)
>> PDF (508 KB)
Web Release date: October 27, 2011.

Total Synthesis and Allelopathic Activity of Cytosporones A-C
Charles E. M. Zamberlam, Alisson Meza, Carla Braga Leite, Maria Rita Marques, Dênis P. de Lima and Adilson Beatriz
J. Braz. Chem. Soc. 2012, 23, 124.



The preparation of cytosporones A-C from the same starting material through a short synthetic route, with good yields, is reported. All compounds were tested for allelopathic activity on lettuce seeds. Cytosporone A and its methylated precursor showed remarkable allelopathic activity, inhibiting seed germination and seedling growth
>> PDF (234 KB) / >> Supplementary Information (2,48 MB)
Web Release date: November 1, 2011.

Determination of Polychlorinated Biphenyls in Seawater using Headspace Solid- Phase Microextraction Coupled with Gas Chromatography-Mass Spectrometry with the Aid of Experimental Design
Xingliang Song, Jinhua Li, Lingxin Chen, Zongwei Cai, Chunyang Liao, Hailong Peng and Hua Xiong
J. Braz. Chem. Soc. 2012, 23, 132.
Polychlorinated biphenyls were highly sensitively determined in seawater containing large amounts of humic substances by combining KMnO4 treatment and headspace solid-phase microextraction coupled with gas chromatography-mass spectrometry with the aid of experimental design
>> PDF (1,73 MB)
Web Release date: November 3, 2011.

A Method for Determination of Ammonia in Air using Oxalic Acid-Impregnated Cellulose Filters and Fluorimetric Detection
Erika P. Felix and Arnaldo A. Cardoso
J. Braz. Chem. Soc. 2012, 23, 142.



An easy method of application was developed for the determination of ammonia in ambient air. The samples are collected using cellulose filters impregnated with oxalic acid, followed of fluorimetric detection. The method is reliable for measuring low concentrations of ammonia and where there are rapid fluctuations in their concentrations

>> PDF (330 KB)
Web Release date: November 3, 2011.

Ultra-Performance Liquid Chromatographic Method for Measurement of Voriconazole in Human Plasma and Oral Fluid
Paula Boeira, Marina V. Antunes, Huander F. Andreolla, Alessandro C. Pasqualotto and Rafael Linden
J. Braz. Chem. Soc. 2012, 23, 148.



A new and extensively validated ultra-performance liquid chromatographic method for voriconazole measurement in plasma and oral fluid is presented. Run time was 4 min, with mobile phase comsuption of 2.2 mL per analysis. Panel A shows a chromatogram of a plasma sample and panel B shows the chromatogram of an oral fluid sample, both from the same patient
>> PDF (488 KB)
Web Release date: November 8, 2011.

Cooking Effects on Iron and Proteins Content of Beans (Phaseolus Vulgaris L.) by GF AAS and MALDI-TOF MS
Juliana Naozuka and Pedro V. Oliveira
J. Braz. Chem. Soc. 2012, 23, 156.



The domestic cooking effect of beans in the Fe, proteins and organic compounds distribution was evaluated by GF AAS, Bradford method and MALDI-TOF MS
>> PDF (1,09 MB)
Web Release date: November 8, 2011.

Molecular Docking and Molecular Dynamic Studies of Semi-Synthetic Piperidine Alkaloids as Acetylcholinesterase Inhibitors
Amanda Danuello, Nelilma C. Romeiro, Guilherme M. Giesel, Marcos Pivatto, Claudio Viegas Jr., Hugo Verli, Eliezer J. Barreiro, Carlos A. M. Fraga, Newton G. Castro and Vanderlan S. Bolzani
J. Braz. Chem. Soc. 2012, 23, 163. cover article



Molecular modeling studies were carried out aiming to elucidate the molecular basis of the differential acetylcholinesterase inhibition profiles of the semi-synthetic derivatives (–)-3-O-acetyl-cassine hydrochloride (9) and (–)-3-O-acetyl-spectaline hydrochloride (10)
>> PDF (1,18 MB) / >> Supplementary Information (2,94 MB)
Web Release date: December 1, 2011.

SHORT REPORTS

Metal Chloride Hydrates as Lewis Acid Catalysts in Multicomponent Synthesis of 2,4,5-Triarylimidazoles or 2,4,5-Triaryloxazoles
Marcelo V. Marques, Marcelo M. Ruthner, Luiz A. M. Fontoura and Dennis Russowsky
J. Braz. Chem. Soc. 2012, 23, 171.
A series of metal halide hydrates was proved to be efficient Lewis acid catalysts promoting the multicomponent Radziszewski reaction for the triarylimidazole synthesis in alcoholic media. In absence of aldehyde, triaryloxazoles were obtained in good yields
>> PDF (339 KB) / >> Supplementary Information (2,21 MB)
Web Release date: October 11, 2011.

Effects of the Essential Oil from Fruits of Schinus terebinthifolius Raddi (Anacardiaceae) on Reproductive Functions in Male Rats
Cristiano R. G. Affonso, Rozeverter M. Fernandes, Jamylla M. G. de Oliveira, Maria do Carmo de Carvalho e Martins, Sidney G. de Lima, Gustavo R. de Sousa Júnior, Maria Zenaide de Lima C. Moreno Fernandes and Surama F. Zanini
J. Braz. Chem. Soc. 2012, 23, 180.
Essential oils extracted from fruits of Schinus terebinthifolius Raddi were analyzed by GC and GC-MS, and evaluated for their reproductive toxicity on male rats. The results showed there are no toxic effects on male reproduction after treatment with essential oil at the tested doses
>> PDF (203 KB)
Web Release date: November 1, 2011.

Biomimetic Hydrogen Generation Catalyzed by Triironnonacarbonyl Disulfide Cluster
Charles A. Mebi, Kyra E. Brigance and Robert B. Bowman
J. Braz. Chem. Soc. 2012, 23, 186.


Fe3S2(CO)9 catalyzes the electrochemical reduction of acetic acid to produce H2; it mimics the [Fe-Fe] hydrogenase enzyme
>> PDF (537 KB)
Web Release date: November 8, 2011.






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