Recent Papers - Machine Learning Special Issue
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Thought for Food
Sheila C. Araujo; Vinicius G. Maltarollo; Danielle C. Silva; Jadson C. Gertrudes; Kathia M. Honorio
How to cite this articleActivin-like kinase 5 (ALK-5) receptor is considered a key target for the cancer treatment and there are several classes of ALK-5 inhibitors reported in the literature. Quantitative structure-activity relationship (QSAR) models are important to describe the main physicochemical properties related to the biological activity of bioactive ligands. From a set of ALK-5 inhibitors and electronic, molecular, stereochemical and topological descriptors, different techniques of variable selection in combination with partial least squares regression were employed to construct reliable multivariate models.. Details are presented in the Article ALK-5 Inhibition: A Molecular Interpretation of the Main Physicochemical Properties Related to Bioactive Ligands by Sheila C. Araujo, Vinicius G. Maltarollo, Danielle C. Silva, Jadson C. Gertrudes and Kathia M. Honorio on page 1936.
Willian L. G. da Silva; Patrícia T. de Souza; Gustavo G. Shimamoto; Matthieu Tubino
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In the synthesis of an ethyl biodiesel prepared through a transesterification reaction, the separation of the glycerol from the biodiesel phase is facilitated by the addition of water.
Mariana N. Catrinck; Leonardo L. Okumura; Antonio A. Silva; Adelir A. Saczk; Marcelo F. Oliveira
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Sulfentrazone was analyzed directly in the soil sample without any cleaning step or pre-concentration by differential-pulse voltammetry.
Simone T. B. Salvi; Selma G. Antonio; Fabio F. Ferreira; Carlos O. Paiva-Santos
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Using X-ray powder diffraction and the Rietveld method to identify as well as to quantify mebendazole polymorphs in solid formulations available in Brazilian market.
Ana C. T. Cursino; Vicente Rives; Luís D. Carlos; Joao Rocha; Fernando Wypych
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Layered zinc hydroxides intercalated with two surfactants were adsolubilized with different neutral UV absorbing molecules. The materials have potential to be used in new sunscreens formulations.
Anna Szymczycha-Madeja; Maja Welna and Pawel Pohl
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The solubility and the bioaccessibility of macro- (Ca, Mg, P), essential trace (Cu, Fe, Mn, Zn) and non-essential trace (Ba, Cr, Sr) elements of the slim coffee products were evaluated by the in vitro gastrointestinal digestion.
Carlos E. S. Soares; Antônio A. Neves; Maria E. L. R. Queiroz; André F. Oliveira; Anna I. G. Costa; Roberta C. Assis; Carlos Eduardo O. Andrade
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Application of single drop microextraction in solid samples. This method consists of hyphenation techniques already existing: solid-liquid extraction with low temperature partitioning and single drop microextraction.
Eralci M. Therézio; Angel A. Hidalgo; Osvaldo N. Oliveira Jr.; Raigna A. Silva; Alexandre Marletta
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Au clusters interaction occurs with the phenyl rings. These results predict effects from metallic electrodes deposited on polymer films. The results are consistent with theoretical predictions in ab initio calculations.
Maicon Delarmelina; Renata D. Daltoé; Murilo F. Cerri; Klesia P. Madeira; Leticia B. A. Rangel; Valdemar Lacerda Júnior; Wanderson Romao; Alex G. Taranto; Sandro J. Greco
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Eleven 1,4-naphthoquinone derivatives were synthesized, their cytotoxic effects on cancer cells were evaluated and docking studies were conducted.
Lidiaine M. Santos; Kamila P. de Amorim; Leonardo S. Andrade; Paulo S. Batista; Alam G. Trovó; Antonio E. H. Machado
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The combination between an electrochemical process and heterogeneous photocatalysis for dye degradation resulted in 74% of mineralization in 120 min of reaction, a value 30% higher than the sum of the results obtained by heterogeneous photocatalysis (44%) and electrochemical oxidation (13%).
Manuela C. L. Cândido; Arquimedes M. Oliveira; Francisco O. N. Silva; Alda K. M. Holanda; Walysson Gomes Pereira; Eduardo H. S. Sousa; Zumira A. Carneiro; Roberto S. Silva; Luiz G. F. Lopes
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The photochemical release of nitric oxide from complex type [Ru(bpy)2LX]n+ was investigated.The amount of NO released from the complexes upon irradiation was determined using a new developed method through square wave voltammetry.
Renata Colombo; Tanare C. R. Ferreira; Janete H. Yariwake; Marcos R. V. Lanza
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Esfenvalerate degradation products were obtained by chemical oxidation with hydrogen peroxide and analyzed by stir bar sorptive extraction (SBSE) liquid and thermal desorption. Their structure was elucidated using SBSE technique and probe desorption gas chromatography-ion trap mass spectrometry (GC-IT-MS) analysis.
Junai C. S. Lopes; Jaqueline L. Damasceno; Pollyanna F. Oliveira; Adriana P. M. Guedes; Denise C. Tavares; Victor M. Deflon; Norberto P. Lopes; Marcos Pivatto; Alzir A. Batista; Pedro I. S. Maia; Gustavo Von Poelhsitz
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Two new ruthenium(II) complexes containing diclofenac and ibuprofen anions as coligands were active against human tumor cell lines.
Vicente R. Almeida; Bruno Szpoganicz; Steeve Bonneville
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"Slow" proton exchange entropy production in the biotite-water complex system (S) shows that biotite offers acidification-resistant relations to soils and natural environment.
Rafael L. Oliveira; Júlia G. Vieira; Hernane S. Barud; Rosana M. N. Assunçao; Guimes R. Filho; Sidney J. L. Ribeiro; Younes Messadeqq
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Methylcellulose (MC) was produced from bacterial cellulose, using dimethyl sulfate under heterogeneous conditions. A material with a high degree of substitution (DS) was obtained.
Jun Huang; Kun Li; Huichao Liu; Liyun Ding
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The complex particles have improved enzyme stability of storage compared with free glucose oxidase (GOD) and optical oxygen sensing property.
Marcos A. Bechlin; Edilene C. Ferreira; José A. Gomes Neto; Juliano C. Ramos; Daniel L. G. Borges
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Bismuth was evaluated as a general internal standard in lead determinations in inductively coupled plasma-based techniques in a great variety of sample matrices.
Carmen Pizarro; María A. Rubio; Mauricio Escudey; María F. Albornoz; Daniela Muñoz; Juliano Denardin; José D. Fabris
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Supported nanomagnetite reduces the difficulty of separating nanoparticles from aqueous suspensions, where the use of unsupported nanoparticles is likely to lead to eventual contamination of soils, sediments, runningwater and groundwater sources.
Luiz M. S. Noronha; Antonio A. Neves; Maria E. L. R. Queiroz; André F. Oliveira
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The influence of Voet lyotropic number of salts in aqueous phase on volume of organic phase in dispersive liquid-liquid microextraction (DLLME) for pesticides determination.
Cátia M. Bolzan; Sergiane S. Caldas; Bruno S. Guimaraes; Ednei G. Primel
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Dispersive liquid-liquid microextraction (DLLME) was successfully used for the extraction of neonicotinoid, triazole and imidazolinone pesticides in mineral water samples.
Thomas J. Farmer; James H. Clark; Maite L. Gothe; Duncan J. Macquarrie; James Sherwood
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p-Cymenesulphonyl chloride can be synthesised from abundant sources of citrus waste for use in organic chemistry as a protecting and activating group.
Nathalie Merlin; Vanderlei A. Lima; Larissa M. Santos-Tonial
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Study about soil and humic acid samples by Fourier transform infrared spectroscopy (instrumental conditions of background and baseline), supported by the use of chemometric tools. Samples were also studied by scanning electron microscopy.
Gelton G. F. Guimaraes; Diogo M. Paiva; Reinaldo B. Cantarutti; Edson M. Mattiello; Efraim L. Reis
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Charcoal of eucalyptus tree was obtained by heating at 350 ºC and after was oxidized with HNO3. The charcoal was characterized by acid-base potentiometric titration and infrared spectroscopy. The charcoal was mixed with urea and the volatilization of NH3 was evaluated in the time and with various charcoal proportions.
Sheila C. Araujo; Vinicius G. Maltarollo; Danielle C. Silva; Jadson C. Gertrudes; Kathia M. Honorio
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Studies of quantitative structure-activity relationships were performed to explore the relationship between the molecular structure of 1,5-naphthyridine, pyrazole and quinazoline derivatives and the inhibition of the activin-like kinase 5, a biological target related to the cancer treatment.
Emine Ülker; Muammer Kavanoz
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PVF+ClO4--PDAB composite film was potentiodynamically synthesized for the first time on Pt disc electrode. Prepared film had porous structure. The film was used for amperometric determination of hydroquinone and it was found sensitive to hydroquinone. Lower limit of detection and broad linear range were obtained.
Marcela A. Bortoleto; Mariana Z. Bocato; Mônica T. Pupo; Cristiane M. Gaitani; Anderson R. M. Oliveira
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Stereoselective biotransformation of rac-venlafaxine into (+)-(S)-N-desmethylvenlafaxine by the fungus Cunninghamella elegans ATCC 10028B with an enantiomeric excess of 100%.
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