Recent Papers - Machine Learning Special Issue
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The artwork summarizes the drug discovery pathway, tracing the journey from the initial motivation to find a cure for a specific disease to the intricate development of novel lead compounds. It visually delineates the key steps, emphasizing the structure of a reported quinoline-thiazole hybrid and showcasing the in silico studies conducted in this research. Details are presented in the Article Design, Synthesis, and Molecular Docking Studies of New Quinoline‑Thiazole Hybrids, Potential Leads in the Development of Novel Antileukemic Agents by Victor Facchinetti, Claudia Regina B. Gomes, Karoline C. L. Aboud, Rodolfo G. Fiorot, Guilherme G. C. de Carvalho, Carlos Roberto K. Paier, Claudia do Ó Pessoa, Anne Caroline C. Gomes, Marcus Vinícius N. de Souza and Thatyana R. A. Vasconcelos on e-20230139.
Victor Facchinetti; Claudia Regina B. Gomes; Karoline C. L. Aboud; Rodolfo G. Fiorot ; Guilherme G. C. de Carvalho;
Carlos Roberto K. Paier; Claudia do Ó Pessoa; Anne Caroline C. Gomes; Marcus Vinícius N. de Souza ; Thatyana R. A. Vasconcelos
The artwork summarizes the drug discovery pathway, tracing the journey from the initial motivation to find a cure for a specific disease to the intricate development of novel lead compounds. It visually delineates the key steps, emphasizing the structure of a reported quinoline-thiazole hybrid and showcasing the in silico studies conducted in this research. Details are presented in the Article Design, Synthesis, and Molecular Docking Studies of New Quinoline‑Thiazole Hybrids, Potential Leads in the Development of Novel Antileukemic Agents by Victor Facchinetti, Claudia Regina B. Gomes, Karoline C. L. Aboud, Rodolfo G. Fiorot, Guilherme G. C. de Carvalho, Carlos Roberto K. Paier, Claudia do Ó Pessoa, Anne Caroline C. Gomes, Marcus Vinícius N. de Souza and Thatyana R. A. Vasconcelos on e-20230139.
Juliane M. S. Silva; Flávia C. R. Vilar; Gabriel A. B. Lima; Elizangela M. Souza; Livia M. Dutra; Jackson R. G. S. Almeida ;
Larissa A. Rolim; Norberto P. Lopes ; Ana P. Oliveira
Plectranthus amboinicus extracts using carvacrol as a major compound bring out antibacterial activity against Aeromonas hydrophila strains isolated or incorporated into fish feed.
Jonas A. Leite Júnior ; Carlos M. R. Rocha ; Antonio G. S. de Oliveira-Filho
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High-level electronic structure and transition-state theory calculations lead to agreement with experimental rate constant measurements for the barrierless CH4 + CH gas-phase reaction.
Diego Q. Melo; Lucas F. Amorim; Juliene T. Oliveira; João A. N. da Cunha Junior; André H. B. de Oliveira; André G. de Oliveira;
Carla B. Vidal ; Ronaldo F. do Nascimento
Turning agricultural waste into a value-added adsorbent promotes a positive environmental impact. Castor stalks waste is highly abundant and inexpensive, and alkali treatment boosted its adsorption capacity. Castor stalk showed to be a high-performance and low-cost adsorbent.
Jonatas S. Carvalho ; Gabriel M. Ferraz; Hugo L. I. Betim; Rita de Kássia S. do Nascimento ; Caroline Scaramboni;
Roberta C. Urban
With mobility restrictions in response to the coronavirus disease 2019 (COVID-19) pandemic, there was a reduction in vehicle and industrial emissions. However, there were also many fires in São Paulo State, which increased the concentrations of some air pollutants.
Limei Liang ; Minghui Wu; Pengmian Huang; Jiyong Liu
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Design, synthesis and insecticidal activity of novel meta-diamide compounds containing methoxy group.
Vanessa S. Santos; Rennan G. O. Araujo ; Tarcísio S. Almeida; Wagna P. C. dos Santos; Maria das Graças A. Korn
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The study evaluated the distribution of multi-element in grape must samples and in soil employing inductively coupled plasma optical emission spectrometry (ICP OES), to establish a profile of the different types of grapes and estimated contamination levels of the grape growing area through background values.
Danielle S. Ramos ; Elson S. Alvarenga ; Júnio G. Silva ; Cristiane I. Cerceau ; Suélen K. Sartori ; Vania M. T. Carneiro ; Denilson F. Oliveira
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Novel potential herbicides were synthesized from sorbic acid and their phytotoxic activities were evaluated against sorghum, onion, cucumber, lettuce, and beggartick seeds. Furthermore, the protein target of the most active substance in plants was identified in silico.
Débora F. V. Ronik; Andressa P. Hosni; Rafaela C. Brancalione; Isabela F. B. Biscaia; Larissa S. Bernardi; Paulo R. de Oliveira
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Ezetimibe pharmaceutical cocrystal was obtained by reaction crystallization method to increase drug solubility.
Juan E. Argüello ; Adrián A. Heredia ; Lydia M. Bouchet
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We report the preparation of a number of nanohybrids based on dye-sensitized TiO2 composites. Their application as heterogeneous photocatalyst for the oxidative hydroxylation of boronic acids and esters to synthesize phenols was investigated.
Khalid M. Abu Khadra ; Huda A. AL-Saadi; Areej M. Assaf; Firas F. Awwadi; Shehadeh Mizyed
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Benzoxazepine derivatives with promising broad biological activities have been synthesized. X-ray crystal structure of compound (10,11-dimethyl-6,7-dihydrobenzo[f]benzo[4,5]imidazo[1,2-d][1,4]oxazepine) and compound (8,9-dihydrobenzo [4,5]imidazo[1,2-d]naphtho[1,2-f][1,4]oxazepine) were obtained.
Denise Criado ; Alejandro Zúñiga; Antonio Pepinelli
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ZnO nanostructures synthesized by simply immersing Zn plates in water.
Sensitive and fluorimetric alkaline phosphatase (ALP) detection using monoaromatic probe via regulating intramolecular hydrogen bonding is proposed.
Pedro H. S. Miranda; Rômulo A. Morais ; Hermanny M. S. Sousa; Larissa S. Gualberto; Barbara C. B. Freitas; Eduardo R. Asquieri; Glêndara A. S. Martins; Eduardo V. B. V. Boas; Clarissa Damiani
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Obtaining natural dyes combined with enzymatic processes is an alternative to traditional methods.
Artur A. R. Silva ; Janilson J. Silva Júnior; Dijanah C. Machado; Frederico J. S. Pontes; Laércio Pol-Fachin; Juliana P. Aguiara; Claudio G. Rodrigues
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Stochastic biosensing is based on the observation of individual events reversible binding between molecules of organotin compounds (OTCs) and a single nanopore α-hemolysin (αHL). These current traces are recorded and stored, creating a unique digital signature that allows identification of the molecule under study.
Shirley Possidonio ; Camila S. M. Iar; Luzia P. Novaki; Omar A. El Seoud
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Representation of the dyeing process for cellulose-polyethylene terephthalate (PET) blends with a reactive dye in an aqueous medium.
Victor Facchinetti; Claudia Regina B. Gomes; Karoline C. L. Aboud; Rodolfo G. Fiorot ; Guilherme G. C. de Carvalho;
Carlos Roberto K. Paier; Claudia do Ó Pessoa; Anne Caroline C. Gomes; Marcus Vinícius N. de Souza ; Thatyana R. A. Vasconcelos
Quinoline-thiazole hybrids show high cytotoxicity against K562 cells and may interact with BCR-ABL1 kinase.
Renata P. Lopes ; Qiuxia Zhao; Sergio Moya; Marta M. Moro; Didier Astruc
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Biochar modified with triazole groups was used as a support of gold nanocatalyst for hydrogen evolution, leading to excellent results.
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