Recent Papers - Machine Learning Special Issue
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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.
Frederico J. S. Pontes; Rafael T. Maia; Maria Carolina P. Lima; Constância F. J. Ayres; Thereza A. Soares
How to cite this articleGlutathione 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.
Elham Ghasemi; Massoud Kaykhaii
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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.
Karla K. Beltrame; André M. Souza; Maurício R. Coelho; Thayane C. B. Winkler; Wyrllen E. Souza; Patrícia Valderrama
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A comparison between dichromate oxidation and dry combustion analysis as reference methods in multivariate calibration from near infrared spectroscopy was evaluated.
Fernanda Volpatto; Arci D. Wastowski; Gabrieli Bernardi; Osmar D. Prestes; Renato Zanella; Martha B. Adaime
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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.
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
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We describe the synthesis of 4-methylcoumarins/1,4-substituted 1,2,3-triazole conjugates that are moderate inhibitors of acetylcholinesterase in vitro.
Fabio C. Sabino; Jurandir P. Pinto; Ismael R. Amador; Leila D. Martins; Maria Cristina Solci
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Gaseous polycyclic aromatic hydrocarbons (PAHs) in a parking lot impacted by gasoline and ethanol blend used in flex-fuel vehicles.
Marina M. Silva; Franciele C. Savariz; Edeíldo F. Silva-Júnior; Thiago M. de Aquino; Maria Helena Sarragiotto; Josué C. C. Santos; Isis M. Figueiredo
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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.
Gabriela Corazza; Alessandra S. Henn; Marcia F. Mesko; Fabio A. Duarte; Erico M. M. Flores; Paola A. Mello
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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.
Navid Nasirizadeh; Masoud Ghaani; Zahra Shekari; Mohammad Shateri-Khalilabad
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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.
Renata Studzińska; Renata Kołodziejska; Małgorzata Redka; Bożena Modzelewska-Banachiewicz; Beata Augustyńska
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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.
Daniela Domingos; Maria de Lourdes S. Ferreira Neta; Ana Rosa C. G. Massa, Marcio V. Reboucas; Leonardo S. G. Teixeira
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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.
Frederico J. S. Pontes; Rafael T. Maia; Maria Carolina P. Lima; Constância F. J. Ayres; Thereza A. Soares
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Influence of conformational dynamics of glutathione S-transferases (GSTs) on dichloro-diphenyl-trichloroethane (DDT) metabolizing was investigated through molecular dynamics simulations.
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
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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.
Deise F. Souza; Edson L. Souza; Endler M. Borges
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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).
Elias C. Padilha; Rodolfo B. Serafim; Deisy Y. R. Sarmiento; César F. Santos; Cleydson B. R. Santos; Carlos H. T. P. Silva
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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.
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. Brandao
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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.
Roya Mirzajani; Nahid Tavaf
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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.
Carolina Martínez-Sánchez; Luz M. Torres-Rodríguez; Ramón F. García-de la Cruz
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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.
Noordiana Nordin; Nor Azah Yusof; Jaafar Abdullah; Son Radu; Reza Hajian
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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.
Caroline S. Oliveira; Glaucia B. Alcantara; Luciano M. Liao; Glenda M. Mesquita; Silvia S. Freitas; Fernando Petacci
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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).
Tadeu A. C. Costa; Vânia P. Campos; Joilma S. Menezes; Sergio T. Oliva; Chirlene B. West
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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.
Online version ISSN 1678-4790 Printed version ISSN 0103-5053
Journal of the Brazilian Chemical Society
JBCS Editorial and Publishing Office
University of Campinas - UNICAMP
13083-970 Campinas-SP, Brazil
Free access