Recent Papers - Machine Learning Special Issue
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Dihydrobetulinic acid (DHBA) is active against amastigotes and promastigotes from Leishmania donovani both in vitro and in vivo models. This compound inhibits the formation of the binary complex between topoisomerase IB (topIB) and DNA, and induces apoptosis. Based on docking and molecular dynamics studies we have identified the most probable binding site of DHBA on topIB. This computational model also revealed that a molecular fragment of this triterpenoid can be strategically relevant to develop new antileishmanial leads. Details are presented in the Article The Octahydroindene Carboxyl Substructure from Dihydrobetulinic Acid is Essential to Inhibit Topoisomerase IB from Leishmania donovani by Camila A. Rocha, Paulo R. S. Sanches, Reinaldo Marchetto and Aderson Zottis on page 591.
Camila A. Rocha; Paulo R. S. Sanches; Reinaldo Marchetto; Aderson Zottis
How to cite this articleDihydrobetulinic acid (DHBA) is active against amastigotes and promastigotes from Leishmania donovani both in vitro and in vivo models. This compound inhibits the formation of the binary complex between topoisomerase IB (topIB) and DNA, and induces apoptosis. Based on docking and molecular dynamics studies we have identified the most probable binding site of DHBA on topIB. This computational model also revealed that a molecular fragment of this triterpenoid can be strategically relevant to develop new antileishmanial leads. Details are presented in the Article The Octahydroindene Carboxyl Substructure from Dihydrobetulinic Acid is Essential to Inhibit Topoisomerase IB from Leishmania donovani by Camila A. Rocha, Paulo R. S. Sanches, Reinaldo Marchetto and Aderson Zottis on page 591.
Eder J. Lenardao; Lucielli Savegnago; Raquel G. Jacob; Francine N. Victoria; Débora M. Martinez
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Plant essential oils (EOs) have been used for centuries in folk medicine to treat diverse disorders, including as analgesic to pain relief. This review covers the literature on the antinociceptive activity of EOs and their constituents from 2000 to 2015. The concepts involved in the nociception, the major clinical treatments used to treat pain and the main tests used to access the analgesic effect of natural compounds are discussed.
Bruno Perlatti; Joao B. Fernandes; Maria F. G. F. Silva; Jorge A. Ardila; Renato L. Carneiro; Bruno H. S. Souza; Eduardo N. Costa; Wellington I. Eduardo; Arlindo L. Boiça Junior; Moacir R. Forim
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Different vegetable matrices were evaluated and discriminated by quantitative analysis of specific flavonoids using high-performance liquid chromatography coupled to electrospray ionization tandem mass spectrometry (HPLC-ESI-MS/MS) and principal component analysis (PCA).
Flavia C. Zacconi; Romina A. Ocampo; Julio C. Podestá; Liliana C. Koll
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Synthesis of organotin substituted 11 membered macrocycles.
Y. Doğan Daldal; Ebru Çubuk Demiralay; Sibel A. Ozkan
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Variation of the mobile phase pH is a key parameter to enhance the chromatographic selectivity and retention time for ionization compounds. Solvent effect was investigated for the developed method. Dissociation constant values were calculated by different percentages of acetonitrile/methanol in the mobile phase at different pH environment. This work can be used for drug discovery of acetylcholinesterase inhibitors.
Houda Bouchafra; Miloud El karbane; Mohamed Azougagh; Fayssal Jhilal; Saad Alawi Sosse; EL Mestafa El hadrami; Taoufiq Saffaj; Bouchaîb Ihssane
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In order to get a chromatographic method able to yield a good separation, identification and quantification of the enantiomers (Levofloxacin and its (R)-enantiomer), chemometric tools should be appropriately applied, especially by applying the experimental designs methodology. In addition, in order to verify the optimized method we propose an innovative approach, recently developed in our laboratory called the uncertainty profile.
Ana Karine O. Silva; André Luis L. de Oliveira; Francisco das Chagas L. Pinto; Karisia S. B. de Lima; Raimundo Braz-Filho; Edilberto R. Silveira; Otilia Deusdênia L. Pessoa
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Two new meroterpenoid hydroquinones along with the known peptide (S)-N-benzoylphenylalanine-(S)-2-benzamide-3-phenylpropyl ester were isolated from the roots of Cordia globosa. Their structures were determined by 1D and 2D nuclear magnetic resonance (NMR) spectrometry, Fourier transform infrared (FTIR) spectroscopy and high resolution atmospheric pressure chemical ionization mass spectrometry (HRAPCIMS).
Carla V. R. Moura; Haroldo L. S. Neres; Mariane G. Lima; Edmilson M. Moura; Jose M. Moita Neto; José E. de Oliveira; José R. O. Lima; Ilza M. Sttolin; Eugênio C. E. Araújo
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Solid acid catalyst was obtained by the mixture of Al/Cr oxides to afford babassu biodiesel with a great acidity 5.0%. The yield of biodiesel was about 97.5% in 15 h and 70 ºC.
Leticia S. F. Pereira; Gabrielle D. Iop; Mariele S. Nascimento; Liange O. Diehl; Cezar A. Bizzi; Juliano S. Barin; Erico M. M. Flores
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Use of solutions of oxidant salts as igniters, understanding the ignition assisted by microwaves, and the use of alternative igniters for microwave-induced combustion for further metals determination.
Adriana F. L. Vilela; Bárbara M. Frugeri; André L. F. Sarria; Rodrigo O. S. Kitamura; Joao B. Fernandes; Maria F. G. F. Silva; Quezia B. Cass; Carmen L. Cardoso
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A new series of Mannich bases and their Cu2+ complexes were synthesized and evaluated for their potential as selective cholinesterase [acetylcholinesterase (AChE) and butyrylcholinesterase (BChE)] inhibitors by on-flow assay. All copper complexes were more active than the Mannich bases.
Rachida Mansouri; Zineb Aouf; Salah Lakrout; Malika Berredjem; Nour-Eddine Aouf
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An eco-sustainable ultrasound-assisted method for the N-Fmoc protection is reported. Mildness, efficiency, excellent yielding and short reaction times are the main advantages of this new protocol.
Juliana de O. Santos; Guilherme R. Pereira; Geraldo C. Brandao; Tatiane F. Borgati; Lucas M. Arantes; Renata C. de Paula; Luciana F. Soares; Maria F. A. do Nascimento; Márlia R. C. Ferreira; Alex G. Taranto; Fernando P. Varotti; Alaíde B. de Oliveira
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The kauranoid moieties core in the novel 1,2,3-triazole-1,4-disubstituted hybrid molecules were synthesized by copper-catalyzed azide-alkyne cycloaddition (CuAAC) reactions. All compounds were evaluated for antiplasmodial and cytotoxic activity.
Ali Mokhtari; Mohsen Keyvanfard; Iraj Emami; Nastaran J. Delouei; Hatameh F. Pishkhani; Aida Ebrahimi; Hossein Karimian
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A chemiluminescence method based on the enhancement effect of aspirin in the system of tris(1,10 phenanthroline)ruthenium(II), with acidic CeIV has been proposed.
Jusinei M. Stropa; Aline S. Herrero; Silvio C. Oliveira; Alberto A. Cavalheiro; Renato F. Dantas; Samuel L. Oliveira; Amilcar Machulek Jr; Lincoln C. S. Oliveira
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Methylene blue discoloration on a natural rubber membrane surface containing TiO2 or Ag/TiO2. On ultraviolet-visible (UV-Vis) spectrophotometric analysis, decreased absorbance intensity indicates methylene blue degradation.
Henryk Matusiewicz; Mariusz Ślachciński
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Pressure electromagnetic induction heating flow solubilization system.
Camila A. Rocha; Paulo R. S. Sanches; Reinaldo Marchetto; Aderson Zottis
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Dihydrobetulinic acid is a competitive inhibitor of topoisomerase IB from Leishmania donovani. By docking and simulations of molecular dynamics it was identified a potential fragment to develop new antileishmanial compounds.
Felipe M. A. Silva; Francinaldo A. Silva Filho; Bruna R. Lima; Richardson A. Almeida; Elzalina R. Soares; Hector H. F. Koolen; Afonso D. L. Souza; Maria L. B. Pinheiro
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Alkaloid fingerprint along with multivariate analysis provided a simple and effective approach to differentiate Amazonian Unonopsis species.
Ibrahim Ibrahim; Michel Meyer; Hisasi Takenouti; Bernard Tribollet
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Effect of the AC stray voltage on the faradaic rectification by the double layer capacitance and the corrosion current density.
Dayane J. Amorim; Hélen C. Rezende; Érica L. Oliveira; Ione L. S. Almeida; Nívia M. M. Coelho; Túlio N. Matos; Cleide S. T. Araújo
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Pequi (Caryocar brasiliense) shells were characterized by point of zero charge (PZC), Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy-energy dispersive spectroscopy (SEM-EDS) and the adsorbent material was studied for PbII ions adsorption.
Juliana Takitane; Rafael M. Almeida; Tiago F. Oliveira; Natanael V. Prado; Daniel R. Muñoz; Vilma Leyton; Mauricio Yonamine
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Liquid-liquid extraction was applied in urine samples collected from truck drivers for the determination of amphetamines by high performance liquid chromatography with diode array detection (HPLC-DAD).
Tatyana V. Volkova; Vasiliy A. Golubev; Mikhail Y. Nikiforov; Galina M. Mamardashvili; Nugzar Z. Mamardashvili; German L. Perlovich
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In this study simple and efficient method of enhancing the solubility of CoIII porphyrins based on polyethyleneglycol additions to water solution was proposed.
Vicente R. Almeida; Bruno Szpoganicz; Lei Chou; Kitty Baert; Annick Hubin; Steeve Bonneville
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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