JBCS

8:54, Wed Aug 24

Current Issue vol. 27, No. 9, 2016, p. 1521-1703

 

Glutathione S-transferase (GST) catalyzes the conjugation of the reduced form of glutathione (GSH) to xenobiotic substrates, leading to their excretion. This is an important mechanism in insect-resistance to dichloro-diphenyl-trichloroethane (DDT). Molecular docking calculations positions the DDT beta-carbon for the nucleophilic addition by the thiolate group in GSH. This reaction converts DDT to dichloro-diphenyl-dichloroethylene (DDE). Punctual mutation on position 120 in GST Epsilon class isoforms from Anopheles gambiae influences the conformational dynamics of protein strengthening the reaction capabilities to consume DDT. Details are presented in the Article The Role of the Conformational Dynamics of Gluthatione S-Transferase Epsilon Class on Insecticide Resistance in Anopheles gambiae by Frederico J. S. Pontes, Rafael T. Maia, Maria Carolina P. Lima, Constância F. J. Ayres and Thereza A. Soares on page 1602.


Cover Article
J. Braz. Chem. Soc. 2016, 27(9), 1602-1615

The Role of the Conformational Dynamics of Glutathione S-Transferase Epsilon Class on Insecticide Resistance in Anopheles gambiae

Frederico J. S. Pontes; Rafael T. Maia; Maria Carolina P. Lima; Constância F. J. Ayres; Thereza A. Soares

How to cite this article

Glutathione S-transferase (GST) catalyzes the conjugation of the reduced form of glutathione (GSH) to xenobiotic substrates, leading to their excretion. This is an important mechanism in insect-resistance to dichloro-diphenyl-trichloroethane (DDT). Molecular docking calculations positions the DDT beta-carbon for the nucleophilic addition by the thiolate group in GSH. This reaction converts DDT to dichloro-diphenyl-dichloroethylene (DDE). Punctual mutation on position 120 in GST Epsilon class isoforms from Anopheles gambiae influences the conformational dynamics of protein strengthening the reaction capabilities to consume DDT. Details are presented in the Article The Role of the Conformational Dynamics of Gluthatione S-Transferase Epsilon Class on Insecticide Resistance in Anopheles gambiae by Frederico J. S. Pontes, Rafael T. Maia, Maria Carolina P. Lima, Constância F. J. Ayres and Thereza A. Soares on page 1602.

http://dx.doi.org/10.5935/0103-5053.20160040

Published online: February 4, 2016

Articles J. Braz. Chem. Soc. 2016, 27(9), 1521-1526

Application of a Novel Micro-Cloud Point Extraction for Preconcentration and Spectrophotometric Determination of Azo Dyes

Elham Ghasemi; Massoud Kaykhaii

How to cite this article

 

For the extraction of analytes, salt solution is added to the aqueous sample to form micelles. After centrifugation, enriched micellar phase is dissolved in a diluting solvent and was transferred to a microcell for spectrophotometric determination.

http://dx.doi.org/10.5935/0103-5053.20160030

Published online: January 29, 2016


J. Braz. Chem. Soc. 2016, 27(9), 1524-1532

Soil Organic Carbon Determination Using NIRS: Evaluation of Dichromate Oxidation and Dry Combustion Analysis as Reference Methods in Multivariate Calibration

Karla K. Beltrame; André M. Souza; Maurício R. Coelho; Thayane C. B. Winkler; Wyrllen E. Souza; Patrícia Valderrama

How to cite this article

 

A comparison between dichromate oxidation and dry combustion analysis as reference methods in multivariate calibration from near infrared spectroscopy was evaluated.

http://dx.doi.org/10.5935/0103-5053.20160031

Published online: January 29, 2016

J. Braz. Chem. Soc. 2016, 27(9), 1533-1540

Evaluation of QuEChERS Sample Preparation and Gas Chromatography Coupled to Mass Spectrometry for the Determination of Pesticide Residues in Grapes

Fernanda Volpatto; Arci D. Wastowski; Gabrieli Bernardi; Osmar D. Prestes; Renato Zanella; Martha B. Adaime

How to cite this article

 

The concern about the presence of pesticide residues in fruits has prompted the search for alternative methods able to detect low levels of these compounds in a simple and efficient way. Thus, in this work a quick, easy, cheap, effective, robust and safe (QuEChERS) method was successfully modified, validated and applied for pesticide residues determination in grape samples by gas chromatography coupled with mass spectrometry.

http://dx.doi.org/10.5935/0103-5053.20160032

Published online: February 1, 2016

J. Braz. Chem. Soc. 2016, 27(9), 1541-1550

Combining the Pharmacophore Features of Coumarins and 1,4-Substituted 1,2,3-Triazoles to Design New Acetylcholinesterase Inhibitors: Fast and Easy Generation of 4-Methylcoumarins/1,2,3-triazoles Conjugates via Click Chemistry

Fernando C. Torres; Guilherme A. Gonçalves; Kenia L. Vanzolini; Aloir A. Merlo; Bruna Gauer; Maribete Holzschuh; Saulo Andrade; Maristela Piedade; Solange C. Garcia; Ivone Carvalho; Gilsane L. von Poser; Daniel F. Kawano; Vera L. Eifler-Lima; Quezia B. Cass

How to cite this article

 

We describe the synthesis of 4-methylcoumarins/1,4-substituted 1,2,3-triazole conjugates that are moderate inhibitors of acetylcholinesterase in vitro.

http://dx.doi.org/10.5935/0103-5053.20160033

Published online: February 1, 2016


J. Braz. Chem. Soc. 2016, 27(9), 1551-1557

Gas-Phase Polycyclic Aromatic Hydrocarbons in the Parking Lot Impacted by Light-Duty Vehicles Burning Gasoline and Ethanol Blends

Fabio C. Sabino; Jurandir P. Pinto; Ismael R. Amador; Leila D. Martins; Maria Cristina Solci

How to cite this article

 

Gaseous polycyclic aromatic hydrocarbons (PAHs) in a parking lot impacted by gasoline and ethanol blend used in flex-fuel vehicles.

http://dx.doi.org/10.5935/0103-5053.20160034

Published online: February 1, 2016

J. Braz. Chem. Soc. 2016, 27(9), 1558-1568

Interaction of β-Carbolines with DNA: Spectroscopic Studies, Correlation with Biological Activity and Molecular Docking

Marina M. Silva; Franciele C. Savariz; Edeíldo F. Silva-Júnior; Thiago M. de Aquino; Maria Helena Sarragiotto; Josué C. C. Santos; Isis M. Figueiredo

How to cite this article

 

This work reports the interaction evaluation of twelve β-carboline derivatives with deoxyribonucleic acid (DNA) using spectroscopic techniques, correlation of binding constants (Kb) with IC50 of seven human cancer cell lines and molecular docking.

http://dx.doi.org/10.5935/0103-5053.20160035

Published online: February 1, 2016


J. Braz. Chem. Soc. 2016, 27(9), 1569-1576

Microwave-Induced Combustion of Coal for Further Sulfur Determination by Inductively Coupled Plasma Optical Emission Spectrometry or Ion Chromatography

Gabriela Corazza; Alessandra S. Henn; Marcia F. Mesko; Fabio A. Duarte; Erico M. M. Flores; Paola A. Mello

How to cite this article

 

A careful optimization of the microwave-induced combustion method for Brazilian coal digestion for further determination of sulfur by inductively coupled plasma optical emission spectrometry (ICP OES) and ion chromatography was developed.

http://dx.doi.org/10.5935/0103-5053.20160036

Published online: February 1, 2016

J. Braz. Chem. Soc. 2016, 27(9), 1577-1586

Novel Non Enzymatic TBHQ Modified Electrochemical Sensor for Hydrogen Peroxide Determination in Different Beverage Samples

Navid Nasirizadeh; Masoud Ghaani; Zahra Shekari; Mohammad Shateri-Khalilabad

How to cite this article

 

A new electrochemical sensor based on glassy carbon electrode which is modified by nafion, graphene oxide, silver nanoparticles and tert-butylhydroquinone (TBHQ) for hydrogen peroxide determination in real beverage samples was developed.

http://dx.doi.org/10.5935/0103-5053.20160037

Published online: February 2, 2016


J. Braz. Chem. Soc. 2016, 27(9), 1587-1593

Lipophilicity Study of Thiazolo[3,2-a]pyrimidine Derivatives as Potential Bioactive Agents

Renata Studzińska; Renata Kołodziejska; Małgorzata Redka; Bożena Modzelewska-Banachiewicz; Beata Augustyńska

How to cite this article

 

27 potentially active thiazolo[3,2-a]pyrimidine derivatives were analyzed by two methods: reversed phase high performance liquid chromatography (RP-HPLC) and reversed phase thin layer chromatography (RP-TLC) methods. Determined lipophilicity parameters are in the range from 0 to 5. It is mean that there are hydrophobic substances, soluble in the lipid phase and in case of being used as drugs, they will be active after oral application.

http://dx.doi.org/10.5935/0103-5053.20160038

Published online: February 2, 2016

J. Braz. Chem. Soc. 2016, 27(9), 1594-1601

UV-Assisted Digestion of Petrochemical Industry Effluents Prior to the Determination of Zn, Cd, Pb and Cu by Differential Pulse Anodic Stripping Voltammetry

Daniela Domingos; Maria de Lourdes S. Ferreira Neta; Ana Rosa C. G. Massa, Marcio V. Reboucas; Leonardo S. G. Teixeira

How to cite this article

 

The feasibility of applying differential pulse anodic stripping voltammetry technique for the determination of metals species in the petrochemical industry effluent was demonstrated after UV-assisted digestion procedure.

http://dx.doi.org/10.5935/0103-5053.20160039

Published online: February 3, 2016


J. Braz. Chem. Soc. 2016, 27(9), 1602-1615

The Role of the Conformational Dynamics of Glutathione S-Transferase Epsilon Class on Insecticide Resistance in Anopheles gambiae

Frederico J. S. Pontes; Rafael T. Maia; Maria Carolina P. Lima; Constância F. J. Ayres; Thereza A. Soares

How to cite this article

 

Influence of conformational dynamics of glutathione S-transferases (GSTs) on dichloro-diphenyl-trichloroethane (DDT) metabolizing was investigated through molecular dynamics simulations.

http://dx.doi.org/10.5935/0103-5053.20160040

Published online: February 4, 2016


J. Braz. Chem. Soc. 2016, 27(9), 1616-1525

Cholinesterases Inhibition by Novel cis- and trans-3-Arylaminocyclohexyl N,N-Dimethylcarbamates: Biological Evaluation and Molecular Modeling

Diego A. S. Yamazaki; Augusto A. Cândido; Mariane C. Bagatin; Miguel Machinski Jr.; Simone A. G. Mossini; Rodrigo M. Pontes; Fernanda A. Rosa; Ernani A. Basso; Gisele F. Gauze

How to cite this article

 

Novel 3-arylaminocyclohexyl N,N-dimethyl carbamates synthesized showed selectivity for the butyrylcholinesterase (BuChE) inhibition. Kinetics studies indicated a mixed-type inhibition against BuChE which is compatible with molecular modeling studies.

http://dx.doi.org/10.5935/0103-5053.20160041

Published online: February 11, 2016


J. Braz. Chem. Soc. 2016, 27(9), 1626-1635

Determination of Pesticides in Grape Juices by QuEChERS and Liquid Chromatography-Tandem Mass Spectrometry

Deise F. Souza; Edson L. Souza; Endler M. Borges

How to cite this article

 

Development of a liquid chromatography-tandem mass spectrometry (LC-MS/MS) method for the determination of 25 pesticides, which are widely used in grape culture in Brazil, in grape juice. The method was validated according with INMETRO (Instituto Nacional de Metrologia Qualidade e Tecnologia).

http://dx.doi.org/10.5935/0103-5053.20160042

Published online: February 11, 2016


J. Braz. Chem. Soc. 2016, 27(9), 1636-1647

New PPARα/γ/δ Optimal Activator Rationally Designed by Computational Methods

Elias C. Padilha; Rodolfo B. Serafim; Deisy Y. R. Sarmiento; César F. Santos; Cleydson B. R. Santos; Carlos H. T. P. Silva

How to cite this article

 

This molecule is a promising drug lead for the development of derivatives and treatment of metabolic syndrome with the benefits of a peroxisome proliferator-activated receptor pan activation.

http://dx.doi.org/10.5935/0103-5053.20160043

Published online: February 11, 2016


J. Braz. Chem. Soc. 2016, 27(9), 1648-1656

Development, Optimization and Validation of an HPLC-PDA Method for Quantification of Taxifolin in the Bark Extract of Pinus pinaster

Priscila A. de Almeida; Carla A. P. Bhering; Michele C. Alves; Marcone A. L. de Oliveira; Nádia R. B. Raposo; Anderson O. Ferreira; Marcos A. F. Brandão

How to cite this article

 

Taxifolin is the major individual polyphenol in the aqueous extract of the bark of Pinus pinaster and may be a chemical marker for quality control of this extract. It was analyzed by reversed phase liquid chromatography with photodiode array detector.

http://dx.doi.org/10.5935/0103-5053.20160044

Published online: February 11, 2016

J. Braz. Chem. Soc. 2016, 27(9), 1657-1666

Rapid and Highly Sensitive Determination of Melamine in Different Food Samples by Corona Discharge Ion Mobility Spectrometry after Dispersive Liquid-Liquid Microextraction

Roya Mirzajani; Nahid Tavaf

How to cite this article

 

A novel and sensitive method based on dispersive liquid-liquid microextraction coupled with positive corona discharge ion mobility spectrometry has been evaluated as a fast and inexpensive technique for the direct determination of melamine in milk, dairy products and egg yolk.

http://dx.doi.org/10.5935/0103-5053.20160045

Published online: February 12, 2016


J. Braz. Chem. Soc. 2016, 27(9), 1667-1678

A Kinetic, Equilibrium, and Thermodynamic Study on the Biosorption of Tl+ and Cd2+ by Eichhornia crassipes Roots Using Carbon Paste Electrode

Carolina Martínez-Sánchez; Luz M. Torres-Rodríguez; Ramón F. García-de la Cruz

How to cite this article

 

In this work carbon paste electrodes modified with Eichhornia crassipes roots were employed to study the adsorption of thallium (Tl+) and cadmium (Cd2+) ions. Ions interact with different functional groups that are present in the roots. Eichhornia crassipes is an effective alternative for the removal of Tl+ and Cd2+ ions from an aqueous medium.

http://dx.doi.org/10.5935/0103-5053.20160046

Published online: February 12, 2016

J. Braz. Chem. Soc. 2016, 27(9), 1679-1686

Characterization of Polylactide-Stabilized Gold Nanoparticles and Its Application in the Fabrication of Electrochemical DNA Biosensors

Noordiana Nordin; Nor Azah Yusof; Jaafar Abdullah; Son Radu; Reza Hajian

How to cite this article

 

Two different gold nanoparticles (AuNPs and polylactic acid-AuNPs) were prepared for construction of biosensors on screen-printed electrode. The performance of fabricated biosensor based on polylactic-stabilized AuNPs shows better sensitivity and stability.

http://dx.doi.org/10.5935/0103-5053.20160047

Published online: February 12, 2016


J. Braz. Chem. Soc. 2016, 27(9), 1687-1693

Decomposition Dynamics of Typha angustifolia under Aerobic Conditions

Caroline S. Oliveira; Glaucia B. Alcantara; Luciano M. Lião; Glenda M. Mesquita; Silvia S. Freitas; Fernando Petacci

How to cite this article

 

The degradation of Typha angustifolia L. is accompanied by the remaining mass and ash percentage showing the liberation of polyphenols and phosphorous compounds from lignocellulosic tissue, which consequently generates humic substances. Different phosphorous compounds were identified in the remaining mass by 31P NMR (nuclear magnetic resonance).

http://dx.doi.org/10.5935/0103-5053.20160049

Published online: February 15, 2016

J. Braz. Chem. Soc. 2016, 27(9), 1694-1703

Phytochemical Profile of Seed Extracts of Plants Typical of the Brazilian Semiarid and their Potential Application in Brackish Water Desalination

Tadeu A. C. Costa; Vânia P. Campos; Joilma S. Menezes; Sergio T. Oliva; Chirlene B. West

How to cite this article

 

Umbu can be even more useful in the semiarid areas, where it is a native plant and where there is a lack of good quality drinking water. Coal prepared with its seed contains no toxic substances and can used for domestic desalination of brackish water.

http://dx.doi.org/10.5935/0103-5053.20160050

Published online: February 16, 2016

Online version ISSN 1678-4790 Printed version ISSN 0103-5053
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