JBCS

17:49, Thu Nov 21

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vol. 34, No. 8, 2023, p. 1041-1213

 

Nitazoxanide and hydroxychloroquine drugs widely used during the pandemic coronavirus disease 2019 (COVID-19), are studied by quantum chemistry techniques to shed light on the mechanisms and kinetics of the degradation in aqueous environments, revealing the most favorable degradation products and their toxicity profiles. Details are presented in the Article Mechanism and Kinetics of the Degradation of Nitazoxanide and Hydroxychloroquine Drugs by Hydroxyl Radicals: Theoretical Approach to Ecotoxicity by Flávio O. Sanches-Neto, Nayara D. Coutinho, Vincenzo Aquilanti, Wender A. Silva and Valter H. Carvalho-Silva on page 1119.


Cover Article
J. Braz. Chem. Soc. 2023, 34(8), 1119-1129

Mechanism and Kinetics of the Degradation of Nitazoxanide and Hydroxychloroquine Drugs by Hydroxyl Radicals: Theoretical Approach to Ecotoxicity

Flávio O. Sanches-Neto; Nayara D. Coutinho ; Vincenzo Aquilanti; Wender A. Silva; Valter H. Carvalho-Silva

How to cite this article

Nitazoxanide and hydroxychloroquine drugs widely used during the pandemic coronavirus disease 2019 (COVID-19), are studied by quantum chemistry techniques to shed light on the mechanisms and kinetics of the degradation in aqueous environments, revealing the most favorable degradation products and their toxicity profiles. Details are presented in the Article Mechanism and Kinetics of the Degradation of Nitazoxanide and Hydroxychloroquine Drugs by Hydroxyl Radicals: Theoretical Approach to Ecotoxicity by Flávio O. Sanches-Neto, Nayara D. Coutinho, Vincenzo Aquilanti, Wender A. Silva and Valter H. Carvalho-Silva on page 1119.

https://dx.doi.org/10.21577/0103-5053.20230025

Published online: February 24, 2023
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Review J. Braz. Chem. Soc. 2023, 34(8), 1041-1070

Recent Synthetic Developments of Asymmetric Multicomponent Transformations: Strecker, Mannich, Passerini and Ugi Reactions

Marcelo H. R. Carvalho; Giovanni W. Amarante ; Pedro P. de Castro

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A general overview on synthetic developments on stereoselective methodologies for Strecker, Mannich, Passerini and Ugi reactions are hereby presented.

https://dx.doi.org/10.21577/0103-5053.20230082

Published online: May 25, 2023

 

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Articles J. Braz. Chem. Soc. 2023, 34(8), 1071-1077

Warminins A, B and C, Three New Furofuran Lignans from Aristolochia warmingii Mast. (Aristolochiaceae)

Camila L. Cunha; Paulo Vinícius G. de Antonio; Maria do Carmo G. Lustosa; Állefe B. Cruz; Juliana C. Holzbach ;
Douglas H. Pereira ; Isabele R. Nascimento

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Three new furofuran lignans were isolated from Aristolochia warmingii leaves together with twenty known compounds.

https://dx.doi.org/10.21577/0103-5053.20230019

Published online: February 10, 2023

 

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J. Braz. Chem. Soc. 2023, 34(8), 1078-1086

Residual Lignocellulosic Biomass in the Production of HMF

Cristian A. Godoy ; Patrícia Valderrama ; Andreia C. Furtado ; Marcela Boroski

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5-Hydroxymethylfurfural (HMF) synthesis intensifies the added value of agricultural wastes. Mid-infrared (MIR) spectra of the biomass, data fusion and principal component analysis (PCA) exposed the potential for HMF synthesis.

https://dx.doi.org/10.21577/0103-5053.20230020

Published online: February 13, 2023

 

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J. Braz. Chem. Soc. 2023, 34(8), 1087-1099

Application of Disposable Pipette Extraction for Determination of Yb by High‑Resolution Continuum Source Graphite Furnace Atomic Absorption Spectrometry Using Lanthanum as a Chemical Modifier

Diogo M. Betiolo; Heloisa R. Cadorim; Eduardo Carasek ; Tatiane A. Maranhão

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The use of the disposable tips (DPX) method with cork as extraction phase provided the determination of Yb by high-resolution continuum source graphite furnace atomic absorption spectrometry (HR-CS GF AAS) and greater sensitivity by the technique in petrochemical residue samples.

https://dx.doi.org/10.21577/0103-5053.20230021

Published online: February 13, 2023

 

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J. Braz. Chem. Soc. 2023, 34(8), 1100-1108

Evaluation of Reinforcement Corrosion in Cementitious Composites Modified with Water Treatment Sludge

Mariana A. M. Rezende ; Pedro P. Gromboni; Patricia G. Corradini ; Almir Sales ; Lucia H. Mascaro

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The water treatment sludge (WTS) is a residue composed of organic and inorganic matter, which can promote harmful changes to the environment. To propose a suitable purpose for this residue, this work evaluated the physical and mechanical properties of the reinforcement in a cementitious composite using WTS in replacement of the natural sand.

https://dx.doi.org/10.21577/0103-5053.20230023

Published online: February 23, 2022

 

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J. Braz. Chem. Soc. 2023, 34(8), 1109-1118

Corrosion Electrochemical Behavior of 2024 Aluminum Alloy in Potassium Acetate Deicing Fluid

Lin Xiuzhou ; Zhao Wei; Yang Feng; Yang Han; Peng Qiang; Mei Yongjun; Wang Yuhao; Dou Baojie

How to cite this article

 

Corrosion behavior of aluminum alloy under a dry and wet cycle in deicing solution.

https://dx.doi.org/10.21577/0103-5053.20230024

Published online: February 24, 2023

 

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J. Braz. Chem. Soc. 2023, 34(8), 1119-1129

Mechanism and Kinetics of the Degradation of Nitazoxanide and Hydroxychloroquine Drugs by Hydroxyl Radicals: Theoretical Approach to Ecotoxicity

Flávio O. Sanches-Neto; Nayara D. Coutinho ; Vincenzo Aquilanti; Wender A. Silva; Valter H. Carvalho-Silva

How to cite this article

 

The mechanisms and kinetics of the degradation induced by OH of the two most widely used drugs in COVID-19 (coronavirus disease 2019) pandemic, nitazoxanide and hydroxychloroquine, were calculated in aqueous environments. The results show that the deacetylation of nitazoxanide with formation of tizoxanide is kinetically the most favorable channel and for hydroxychloroquine, the most favorable channel is the addition of OH at the aromatic ring.

https://dx.doi.org/10.21577/0103-5053.20230025

Published online: February 24, 2023

 

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Total access: 1298


J. Braz. Chem. Soc. 2023, 34(8), 1130-1138

Validation of an Analytical Method by Headspace Gas Chromatography with Flame Ionization and Evaluation of Matrix Effect of Volatile Compounds in Cat Food

Bruno M. Carvalho; Patrícia D. S. dos Santos; Geovane A. R. da Silva; Carlos E. R. Senes ; Jesuí V. Visentainer ; Oscar O. Santos

How to cite this article

 

Development and validation of a headspace gas chromatography with flame ionization (GC-FID) method for the determination of propanal, pentanal, hexanal, octanal, and trans-2-nonenal from cat food samples without requiring prior sample preparation techniques.

https://dx.doi.org/10.21577/0103-5053.20230026

Published online: February 27, 2023

 

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Total access: 769


J. Braz. Chem. Soc. 2023, 34(8), 1139-1153

Dereplication of Sclerotiorin-Like Azaphilones Produced by Penicillium meliponae Using LC-MS/MS Analysis and Molecular Networking

Eldrinei G. Peres ; Mayane P. Souza; Thiago F. Sousa; Carlos V. A. da Silva ; André L. Barros; Felipe M. A. da Silva; Emmanoel V. Costa; Lívia S. de Medeiros; Moacir R. Forim ; Afonso D. L. de Souza ; Weider H. P. Paz; Gilvan F. da Silva;
Antonia Q. L. de Souza ; Hector H. F. Koolen

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When submitted to cultivation through the one strain-many compounds (OSMAC) approach, Penicillium meliponae produced a diversity of azaphilones, which were characterized using liquid chromatography coupled with mass spectrometry (LC-MS/MS) and molecular networking.

https://dx.doi.org/10.21577/0103-5053.20230027

Published online: February 28, 2023

 

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J. Braz. Chem. Soc. 2023, 34(8), 1154-1165

Ethanol Conversion Catalyzed by MCM-22 and Its Dealuminated and Delaminated Forms

Zilacleide S. B. Sousa ; Cristiane A. Henriques ; Victor T. da Silva

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All of zeolites were active for conversion of ethanol, with ethene being the main olefin formed.

https://dx.doi.org/10.21577/0103-5053.20230028

Published online: March 3, 2023

 

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J. Braz. Chem. Soc. 2023, 34(8), 1166-1174

Larvicidal Activity of Calcium Alginate Microcapsules Containing Clove Essential Oil Obtained by Microfluidics

Débora T. Condé; Luiza A. Mendes; Guilherme P. Ramos; Rafael R. A. Silva; Alvaro V. N. C. Teixeira; Róbson Ricardo Teixeira ; Gustavo F. Martins; Cristiane I. Cerceau ; Renata P. Lopes

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Microcapsules containing essential oil from cloves have been synthesized by microfluidics technique and successfully applied to
Aedes aegypti larvae control.

https://dx.doi.org/10.21577/0103-5053.20230029

Published online: March 6, 2023

 

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J. Braz. Chem. Soc. 2023, 34(8), 1175-1184

Magnetic Nanoparticles Based on DABCO as Catalysts in the Knoevenagel Reaction and Synthesis of Isatin-β-thiosemicarbazones

Nathália K. S. M. Falcão; Gilvan P. Pires; Paloma G. Abrantes; Poliana G. Abrantes; João B. M. Resende Filho;
Claudio G. Lima Junior ; Ercules E. S. Teotonio ; Juliana A. Vale

How to cite this article

 

Synthesis and application of basic 1,4-diazabicyclo[2,2,2]octane (DABCO)-functionalized magnetic nanoparticles (MNPs) as heterogeneous catalyst in Knoevenagel condensation and synthesis of isatin-β-thiosemicarbazones.

https://dx.doi.org/10.21577/0103-5053.20230030

Published online: March 7, 2023

 

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J. Braz. Chem. Soc. 2023, 34(8), 1185-1196

COVID-19 Infection Changes the Functions and Morphology of Erythrocytes: A Multidisciplinary Study

Marcos V. S. Sales; Eloiza L. L. Tanabe; Thamilla M. S. Maciel; Maria C. Tavares; Juliana G. C. Leal; Larissa S. Pinto; Keyla S. N. Pires; Jorge A. P. M. Coelho ; Elaine C. O. Silva; Samuel T. Souza; Eduardo J. S. Fonseca; Thiago S. Fragoso; Thiago M. Aquino; Alexandre U. Borbely; Ueslen Rocha; Josué C. C. Santos ; Ana Catarina R. Leite

How to cite this article

 

Coronavirus disease 2019 (COVID-19) infection changes the functions and morphology of human red cells.

https://dx.doi.org/10.21577/0103-5053.20230031

Published online: March 7, 2023

 

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Total access: 949


J. Braz. Chem. Soc. 2023, 34(8), 1197-1207

A Hybrid Molecularly Imprinted Polymer for Selective Adsorption of Urinary S-Phenylmercapturic Acid

Rafaela P. Gomes ; Marina C. Tonucci; Maiyara C. Prete; César Ricardo T. Tarley ; Bruno Eduardo L. Baeta;
Robson J. C. F. Afonso

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This work reports the synthesis of a molecular imprinting hybrid polymer used in solid phase extraction for the adsorption of urinary S-phenylmercapturic acid (u-SPMA) in the evaluation of benzene exposure.

https://dx.doi.org/10.21577/0103-5053.20230032

Published online: March 10, 2023

 

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J. Braz. Chem. Soc. 2023, 34(8), 1208-1213

Fast and Environmentally Friendly Method for Simultaneous Determination of Hydrochlorothiazide, Losartan and Potassium by Capillary Electrophoresis with Capacitively Coupled Contactless Conductivity Detection

Mariana C. Marra ; Michelle M. A. C. Ribeiro; Rodrigo A. A. Muñoz ; Eduardo M. Richter

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Rapid and environmentally friendly capillary electrophoresis (CE) method.

https://dx.doi.org/10.21577/0103-5053.20230033

Published online: March 10, 2023

 

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Total access: 738

Online version ISSN 1678-4790 Printed version ISSN 0103-5053
Journal of the Brazilian Chemical Society
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