Recent Papers - Machine Learning Special Issue
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The Brazilian Chemical Industry
Clecio Dantas; Pedro L. O. Volpe; Nelson Durán; Márcia M. C. Ferreira
How to cite this articleA culture of Chromobacterium violaceum was cultivated in a bioreactor from which aliquots were collected every two hours and analyzed by multi-wavelength fluorescence spectroscopy. The mechanistic investigation of the violacein biosynthesis was then performed by the chemometric method parallel factor analysis (PARAFAC) that was applied to resolve the fluorescence profiles. Details are discussed in the Article The Violacein Biosynthesis Monitored by Multi‑Wavelength Fluorescence Spectroscopy and by the PARAFAC Method by Clecio Dantas, Pedro L. O. Volpe, Nelson Durán and Márcia M. C. Ferreira on page 2054.
Liane M. Rossi; Marco A. S. Garcia; Lucas L. R. Vono
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The immobilization of catalytic active species (metal nanoparticles, metal complexes, enzymes, organocatalysts, etc.) on superparamagnetic nanoparticles allows the facile separation of catalysts from the reaction mixture with the application of an external magnetic field
Cristiana L. Dora; Jean-Luc Putaux; Isabelle Pignot-Paintrand; Frédéric Dubreuil; Valdir Soldi; Redouane Borsalib; Elenara Lemos-Senna
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Structural characterizations of drug lipid nanocarriers made from castor oil (CO) and tristearin (TS). NE: nanoemulsions, NLC: nanostructured lipid carriers, SLN: solid nanocarriers
Senthil Narayanaperumal; Rodrigo César da Silva; Julia L. Monteiro; Arlene G. Corrêa; Márcio W. Paixão
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The cost-effective ferric chloride showed to be an efficient catalyst for the glycosylation of sugars with allyl and alkynyl alcohols, thus leading to the corresponding glycosides in moderate to good yields. Salient features of this simple method include non-hazardous reaction conditions, low-catalyst loading, good yields and high anomeric selectivity
Víctor Cerdà; Carlos Ubide; Juan Zuriarrain
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The bromine generation and the bromine-salicylic acid reactions have been used for validation of MSFIA in the zone stopping mode. The performance of the technique stays between those of FIA and the classical stopped-flow technique
Andrés González; Paula Altesor; Leticia Alves; Paola Liberati; Horacio Silva; Juan Ramos; Ignacio Carrera; David González; Gustavo Seoane; Carmen Rossini; Enrique Castiglioni; Daniela Gamenara
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The sex pheromone of the tortricid soybean pest, Crocidosema aporema, was synthesized from 2-pentynol and 1,7-heptanediol, and male captures with different pheromone blends were field-evaluated for the development of pheromone monitoring traps
Cleiton A. Nunes; Matheus P. Freitas; Ana Carla M. Pinheiro; Sabrina C. Bastos
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Chemoface is a free computational tool with user-friendly graphical interface, which is able to work with chemometric methods related to experimental design, pattern recognition, classification and multivariate calibration
Xianxiang Wang; Yanying Wang; Hanbing Rao; Zhi Shan
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A novel fluorescence analysis method based on trypsin digestion of the protein template of BSA-stabilized Au nanoclusters for sensitive and selective detection of trypsin activity was developed in this work. The methods are utilized potentially for determination of other proteases in clinical diagnostics of various diseases
Poghos O. Vardevanyan; Ara P. Antonyan; Marine A. Parsadanyan; Mariam A. Shahinyan; Lilit A. Hambardzumyan; Margarita A. Torosyan; Armen T. Karapetian
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Semi-intercalating binding of EtBr occurs along with the ordinary intercalation
Sara A. L. Madeiro; Hellane F. S. de Lucena; Caroline D. Siqueira; Marcelo C. Duarte; Raimundo Braz-Filho; José M. Barbosa Filho; Marcelo S. da Silva; Josean F. Tavares
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Two new neolignans 1,1'-(E)-propenyl-4-methoxy-3,4'-oxyneolignan (ottomentosa) and 5-acid-2-(2'-hydroxy-4',6'-dimethoxyphenyl)- benzofuran (sobraline), together with three known neolignans, were isolated from the roots of Krameria tomentosa A. St.-Hil
Lucas Puerari; Renato S. Carreira; Artur C. B. Neto; Lilian C. Albarello; Fabiana D. C. Gallotta
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An evaluation of the contamination by sewage in sediments on a regional scale was performed in the Iguaçu River by considering sterols as indicators. Domestic effluents and manure from rural areas are the main source of contamination. The release of untreated sewage may pose a threat to river health during periods of small river water flow
Shuyu Zhan; Jianping Huang; Qing Shao; Xiaohui Fan; Wenjing Guo
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Establish stable and predictive models of multiple linear regression (MLR) and support vector machine (SVM) to predict microdialysis relative recovery of flavone derivatives based on molecular descriptors
Malihe Ebrahimi; Taghi Khayamian; Sajjad Gharaghani
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Docking studies showed that hydrophobic and H-bond interactions are the key factors in the interactions between ALK5 and its inhibitors. Descriptors emerging from docking and molecular structure were used in structure-based QSAR model
Clecio Dantas; Pedro L. O. Volpe; Nelson Durán; Márcia M. C. Ferreira
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Combining multi-wavelength fluorescence spectroscopy and the PARAFAC method to link the information obtained from spectral resolution to a biosynthetic pathway
Renata F. Soares; Amanda L. D. de Araújo; Juliana de L. Castro; Luis Nelson L. F. Gomes; Henrique M. G. Pereira; Francisco R. de Aquino Neto
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Urinary excretion profile of prednisolone and prednisone after oral administration of prednisolone. The concentration of 30 ng mL-1 is the parameter used to establish an adverse analytical finding to exogenous glucocorticosteroids
Hui Qin; Gao Feng Li; Nan Chen; Ya Ling Yang
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2 mL of the solution containing different concentrations of BD, HB and NPP →2.5 mL of DC-193 stock solution and 1mL of nonanoic acid added → standing for 5 min → incubated into ultrasonic-thermostatic bath at 65 °C for 30 min → centrifugation for 3 min at 4000 rpm → achieving a final volume of 0.5 mL by adding acetonitrile → injected into the HPLC system
Ana M. Vemić; Anđelija M. Malenović; Tijana M. Rakić; Nađa M. Kostić; Biljana S. Jančić-Stojanović; Darko P. Ivanović; Mirjana B. Medenica
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Influences of microemulsion droplet properties and column lipophylicity on partition behavior of pramipexole and its five impurities
Fernando H. Bartoloni; Marcelo A. de Oliveira; Felipe A. Augusto; Luiz Francisco M. L. Ciscato; Erick L. Bastos; Wilhelm J. Baader
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The synthesis, purification and characterization of diphenoyl peroxide and three 1,2-dioxetanones (α-peroxylactones), important high-energy intermediates in chemi and bioluminescence transformations, are reported
Raphael D. Valério; Ricardo M. Silva; Hellencléia P. Cunha; Maria C. A. Lima; Suely L. Galdino; Ivan R. Pitta; Maria Bernadete S. Maia
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A quick and simple LC-UV method was developed and validated for quantification of LPSF/AC-23 (CAS No. 675868-75-4), a new antitumor agent in rat plasma. The proposed method can be applied in the quantitative determination of this promising molecule in pharmacokinetic bioavailability studies
Cristiane F. Codevilla; Pâmela Cristina L. Ferreira; Maximiliano S. Sangoi; Pedro Eduardo Fröehlich; Ana Maria Bergold
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A simple capillary zone electrophoresis method for determination of lodenafil carbonate in drug products was developed and validated. Response surface methodology was used for optimization of the pH and concentration of the buffer, applied voltage and temperature
Paulo Beck; Juliane M. dos Santos; Bruna L. Kuhn; Dayse N. Moreira; Alex F. C. Flores; Marcos A. P. Martins; Marcelo G. M. D'Oca; Luciana A. Piovesan
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An efficient and regiospecific route to new fatty N-acyl trihalomethylated pyrazoline derivatives from FAMEs (fatty acid methyl esters) was developed
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