JBCS

11:42, Sun Nov 19

Open Access/APCs

Current Issue vol. 29, No. 1, 2018, p. 1-215

 

With a suitable cetyltrimethylammonium bromide (CTAB) model, we carried out molecular dynamics (MD) calculations that were able to describe most of the surfactant behavior as aggregates (micelles) in aqueous solution, as well as its interaction and molecular arrangement pattern on gold surface. Details are presented in the Article Molecular Dynamics Simulations of Cetyltrimethylammonium Bromide (CTAB) Micelles and their Interactions with a Gold Surface in Aqueous Solution by José Adriano da Silva, Roberta P. Dias, Gabriel C. A. da Hora, Thereza A. Soares and Mario R. Meneghetti on page 191.


Cover Article
J. Braz. Chem. Soc. 2018, 29(1), 191-199

Molecular Dynamics Simulations of Cetyltrimethylammonium Bromide (CTAB) Micelles and their Interactions with a Gold Surface in Aqueous Solution

José Adriano da Silva; Roberta P. Dias; Gabriel C. A. da Hora; Thereza A. Soares; Mario R. Meneghetti

How to cite this article

With a suitable cetyltrimethylammonium bromide (CTAB) model, we carried out molecular dynamics (MD) calculations that were able to describe most of the surfactant behavior as aggregates (micelles) in aqueous solution, as well as its interaction and molecular arrangement pattern on gold surface. Details are presented in the Article Molecular Dynamics Simulations of Cetyltrimethylammonium Bromide (CTAB) Micelles and their Interactions with a Gold Surface in Aqueous Solution by José Adriano da Silva, Roberta P. Dias, Gabriel C. A. da Hora, Thereza A. Soares and Mario R. Meneghetti on page 191.

Published online: July 7, 2017

Editorial J. Braz. Chem. Soc. 2018, 29(1), 1

Articles J. Braz. Chem. Soc. 2018, 29(1), 2-10

Preparation and Performance of an Estradiol Templated Magnetic Sphere of Molecularly Imprinted Cryogel

Jian Wang; Lili Tian; Yanan Yan; Yaru Liu; Yan Zhang; Chun Yang

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In this paper we describe the synthesis of estradiol templated magnetic molecularly imprinted cryogel. The excellent selective adsorption performance, solid phase extraction and chromatographic performances of the MMIC (magnetic molecularly imprinted cryogel) were investigated.

http://dx.doi.org/10.21577/0103-5053.20170104

Published online: June 7, 2017


J. Braz. Chem. Soc. 2018, 29(1), 11-16

Withanolides from Leaves of Nicandra physalodes

Diego A. S. Carrero; Pedro H. J. Batista; Luciana G. S. Souza; Francisco C. L. Pinto; Mayron A. de Vasconcelos; Edson H. Teixeira; Kirley M. Canuto; Gilvandete M. P. Santiago; Edilberto R. Silveira; Otília D. L. Pessoa

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Five new withanolides, in addition to six others previously reported, were isolated and characterized from the leaf acetone extract of Nicandra physalodes.

http://dx.doi.org/10.21577/0103-5053.20170105

Published online: June 8, 2017


J. Braz. Chem. Soc. 2018, 29(1), 17-23

An Appraisal on the Source-to-Sink Relationship in Plants: an Application of Desorption Electrospray Ionization Mass Spectrometry Imaging

Julia R. L. Freitas; Pedro H. Vendramini; Júlio O. F. Melo; Marcos N. Eberlin; Rodinei Augusti

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Chemical images of carbohydrates and amino acids/ureides generated from Mentha × piperita leaves at distinct maturation stages and obtained upon the application of the desorption electrospray ionization mass spectrometry imaging (DESI-MSI) technique.

http://dx.doi.org/10.21577/0103-5053.20170107

Published online: June 8, 2017


J. Braz. Chem. Soc. 2018, 29(1), 24-32

Aqueous Ultrasound-Assisted Extraction for the Determination of Fluoroquinolones in Mangrove Sediment by High-Performance Liquid Chromatography and Fluorescence Detector

Mônica A. Neves; Gilmar S. Silva; Natilene M. Brito; Karla C. M. Araújo; Edmar P. Marques; Lanna K. Silva

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Analytical methodology for the determination of antibiotics in mangrove sediments in an estuarine system.

http://dx.doi.org/10.21577/0103-5053.20170108

Published online: June 13, 2017

J. Braz. Chem. Soc. 2018, 29(1), 33-37

Improved Method for Preparation of Methoxy-Modified Kaolinite

Ding Wang; Qinfu Liu; Dandan Hou; Shuai Zhang; Peng Guo; Hongfei Cheng

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Schematic representation of the transformation from Kaol to Kaol-BTAC. The time required for preparation of methoxy-modified Kaol was shortened by more than fifty percent, and the obtained products could be used for further process without any negative impact.

http://dx.doi.org/10.21577/0103-5053.20170109

Published online: June 14, 2017


J. Braz. Chem. Soc. 2018, 29(1), 38-44

Simple and Fast Method for Identification and Quantification of Anthocyanidins in Berries by Ultra Performance Liquid Chromatography-Mass Spectrometry

Julianna M. Vagula; Nayane M. Sinosaki; Marcos A. S. Ribeiro; Thiago Magon; Janksyn Bertozzi; Eduardo C. Meurer; Oscar O. Santos Junior; Jesuí V. Visentainer

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This work aim is to identify and quantify three different anthocyanidins in six different berries and shows the elucidation of a general fragmentation mechanism.

http://dx.doi.org/10.21577/0103-5053.20170110

Published online: June 19, 2017


J. Braz. Chem. Soc. 2018, 29(1), 45-57

Effect of Acetonitrile and N,N-Dimethylformamide on the Formation of Poly(ethylene oxide)-Sodium Alkyl Sulfate Aggregates

Guilherme M. D. Ferreira; Gabriel M. D. Ferreira; Maria C. Hespanhol; Álvaro J. P. Agudelo; Jaqueline P. Rezende; Ana C. S. Pires; Luis H. M. Silva

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Acetonitrile and N,N-dimethylformamide modify the water tridimensional structure in the solvation shells of sodium alkyl sulfates and poly(ethylene oxide) without altering the relative stability of the surfactant aggregates formed in the absence and in the presence of the polymer.

http://dx.doi.org/10.21577/0103-5053.20170111

Published online: June 20, 2017


J. Braz. Chem. Soc. 2018, 29(1), 58-66

Synergistic Effect of 4A Zeolite from Rice Husk Ash without Aging Time and Silane on the Adhesion Properties of a Warm Mix Asphalt

Paula C. Arroyo-Martínez; Norma A. Sánchez-Flores; María E. Villafuerte-Castrejón; Rodrigo Vivar-Ocampo

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4A zeolite synthesized from rice husk by microwave-assisted hydrothermal synthesis without aging time increases the effect of the antistripping additive.

http://dx.doi.org/10.21577/0103-5053.20170112

Published online: June 21, 2017

J. Braz. Chem. Soc. 2018, 29(1), 67-73

Synergistic Interactions between Ti-OOH and (PO4[WO2(O2)]4)3- of HPW/Zn-Ti Hydrotalcites: Efficient Heterogeneous Catalysts for the Epoxidation of Fatty Acid Methyl Ester

Junjie Wang; Jing Cheng; Yu Zhou; Lei Meng; Yuehua Wang; Xiaoqian Ren; Jinhua Liang; Min Jiang

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The HPW/Zn-Ti layered double hydroxides exhibited remarkable catalytic performance in the epoxidation of fatty acid methyl ester with H2O2.

http://dx.doi.org/10.21577/0103-5053.20170113

Published online: June 22, 2017


J. Braz. Chem. Soc. 2018, 29(1), 74-78

Synthesis and Expansion of Bicyclic Enol Ether: A Probable Precursor for the Synthesis of Macrolide (±)-Pyrenophorin

Maísa B. Costa; Marcos P. Martins; Hugo C. de Araújo; Inês S. Resck

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A new synthetic methodology is demonstrated to obtain potential precursors that may lead to the synthesis of (±)-pyrenophorin through the use of a convenient oxidative ring expansion.

http://dx.doi.org/10.21577/0103-5053.20170114

Published online: June 23, 2017


J. Braz. Chem. Soc. 2018, 29(1), 79-87

Investigation of Low-Temperature Selective Catalytic Reduction of NOx with Ammonia over Mn-Modified Fe2O3/AC Catalysts

Jiuyu Chen; Baozhong Zhu; Yunlan Sun; Shoulai Yin; Zicheng Zhu; Jiaxin Li

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Catalytic activity profiles of 10FexMn/AC (x = 1, 3, 5) catalysts with different Fe and Mn molar ratios.

http://dx.doi.org/10.21577/0103-5053.20170116

Published online: June 26, 2017

J. Braz. Chem. Soc. 2018, 29(1), 88-98

Heteropoly Tungstate Supported on Metal Oxide Catalysts for Liquid Phase Oxidation of Benzyl Alcohol with Hydrogen Peroxide

Han Xiaoxiang; Kuang Yingying; Xiong Chunhua; Tang Xiujuan; Chen Qing; Wang Kuiwu; Hung Chin-Te; Liu Li-Li; Liu Shang-Bin

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Phosphotungstic acid supported ceria shows excellent catalytic activity for oxidation of benzyl alcohol to benzaldehyde due to Brønsted-Lewis acid synergy effect.

http://dx.doi.org/10.21577/0103-5053.20170117

Published online: June 26, 2017


J. Braz. Chem. Soc. 2018, 29(1), 99-108

End Functionalization by Ring Opening Polymerization: Influence of Reaction Conditions on the Synthesis of End Functionalized Poly(lactic Acid)

Luis P. Icart; Edson Fernandes; Lissette Agüero; Maelia Z. Cuesta; Dionisio Z. Silva; Daniel E. Rodríguez-Fernández; Fernando G. Souza Jr.; Luis Maurício T. R. Lima; Marcos L. Dias

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Ring opening polymerization initiated by tin(II) 2-ethylhexanoate was used to introduce salicyl aldehyde and salicylic acid end groups in poly(lactic acid).

http://dx.doi.org/10.21577/0103-5053.20170118

Published online: June 26, 2017


J. Braz. Chem. Soc. 2018, 29(1), 109-124

Design, Synthesis and Anticancer Biological Evaluation of Novel 1,4-Diaryl-1,2,3‑triazole Retinoid Analogues of Tamibarotene (AM80)

Mariana A. A. Aleixo; Taís M. Garcia; Diego B. Carvalho; Luiz H. Viana; Marcos S. Amaral; Najla M. Kassab; Marilin C. Cunha; Indiara C. Pereira; Palimécio G. Guerrero Jr.; Renata T. Perdomo; Maria F. C. Matos; Adriano C. M. Baroni

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In this work, twelve novel 1,2,3-triazole retinoids analogues of tamibarotene (AM80) were synthesized, and biological activity was evaluated against human cancer cells.

http://dx.doi.org/10.21577/0103-5053.20170119

Published online: June 27, 2017


J. Braz. Chem. Soc. 2018, 29(1), 125-132

Nonanoic Acid-Coated Magnetite Nanoparticles for Separation and Preconcentration of Lead and Copper in Tobacco Samples prior to Flame Atomic Absorption Spectrometry Determination

Shouai Feng; Hong Liu; Jiangfeng Huang; Jingjing Wu; Kang Wei; Xiaolan Li; Dongling Meng; Jiao Zhao; Yaling Yang

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Nonanoic acid-coated magnetic Fe3O4 nanoparticles were used as adsorbents for preconcentration and separation of Cu and Pb. Methanol-nitric acid was used as eluent for desorption of Cu and Pb, finally detected by flame atomic absorption spectrometry.

http://dx.doi.org/10.21577/0103-5053.20170120

Published online: June 27, 2017

J. Braz. Chem. Soc. 2018, 29(1), 133-139

Synthesis of New trans-Dehydrocrotonin Nitrogenated Derivatives and their Cytotoxic and DNA-Topoisomerase I Inhibitory Activities

Andressa Esteves-Souza; Kenia Pissinate; Maria A. M. Maciel; Aurea Echevarria

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Synthesis of new trans-dehydrocrotonin nitrogenated derivatives, and in vitro evaluation of cytotoxic, and DNA-topoisomerase I activities.

This paper is part of the PubliSBQ Special Issue in honor of the late Prof Angelo da Cunha Pinto.

http://dx.doi.org/10.21577/0103-5053.20170121

Published online: June 27, 2017


J. Braz. Chem. Soc. 2018, 29(1), 140-150

New Organomineral Complex from Humic Substances Extracted from Poultry Wastes: Synthesis, Characterization and Controlled Release Study

Amanda M. P. Santos; Alexandre C. Bertoli; Ana Carolina C. P. Borges; Raphael A. B. Gomes; Jerusa S. Garcia; Marcello G. Trevisan

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The humic and fulvic acids extracted from poultry manure are complexed in Cu2+, Zn2+ and Fe2+ and taken to a release test in contact with buffer solution.

http://dx.doi.org/10.21577/0103-5053.20170122

Published online: June 28, 2017


J. Braz. Chem. Soc. 2018, 29(1), 151-158

Potential Bio-Oil Production from Invasive Aquatic Plants by Microscale Pyrolysis Studies

Luana O. Santos; Fernanda F. Silva; Lidiane C. Santos; Ingred S. C. Carregosa; Alberto Wisniewski Jr.

How to cite this article

 

Invasive aquatic plants like water hyacinth is one of the major rapid growth plant in the planet and represent a water environmental problem. Through micropyrolysis experiments we can evaluate the potential to use this biomass to produce biofuels or fine chemicals.

http://dx.doi.org/10.21577/0103-5053.20170124

Published online: June 29, 2017

J. Braz. Chem. Soc. 2018, 29(1), 159-167

Synthesis of New Conjugates 1H‑Pyrazolo[3,4-b]pyridine-phosphoramidate and Evaluation against Leishmania amazonensis

Antonia C. R. F. Medeiros; Julio C. Borges; Klaus M. Becker; Raquel F. Rodrigues; Leonor L. Leon; Marilene Canto-Cavalheiro; Alice M. R. Bernardino; Marcos C. de Souza; Leandro F. Pedrosa

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1H-Pyrazolo[3,4-b] pyridine phosphoramidates were synthesized and evaluated against Leishmania amazonensis promastigotes in vitro.

http://dx.doi.org/10.21577/0103-5053.20170126

Published online: July 3, 2017


J. Braz. Chem. Soc. 2018, 29(1), 168-176

Irrigation and Light Access Effects on Coffea arabica L. Leaves by FTIR‑Chemometric Analysis

Patrícia M. Sanchez; Elis D. Pauli; Guilherme L. Scheel; Miroslava Rakocevic; Roy E. Bruns; Ieda S. Scarminio

How to cite this article

 

Coffea arabica L. leaf extracts, grown under different environmental conditions, were analyzed by FTIR with chemometric tools. It was possible to discriminate leaves from different microclimates by bands related to carbohydrates, amino acids, lipids and caffeine.

http://dx.doi.org/10.21577/0103-5053.20170125

Published online: July 4, 2017

J. Braz. Chem. Soc. 2018, 29(1), 177-184

Synthesis and in vitro Antiproliferative Activity of Flavone and 6‑Hydroxyflavone Oxime Ethers Derivatives

John E. Díaz; Diana C. Martinez; Lina V. López; Gina M. Mendez; Ricardo Vera; Alix E. Loaiza

How to cite this article

 

The synthesis of a series of O-alkyl oximes of flavone and 6-hydroxyflavone using a simple experimental protocol is reported. Cytotoxicity of all compounds was evaluated against MDA-MB-231, PC-3, A-549 and MRC-5 cells. The best IC50 value was obtained for 6-hydroxyflavone (3.4 μM) against MDA-MB-231.

http://dx.doi.org/10.21577/0103-5053.20170128

Published online: July 5, 2017


J. Braz. Chem. Soc. 2018, 29(1), 185-190

Analytical Strategies for Determination and Environmental Impact Assessment of Inorganic Antimony Species in Natural Waters Using Hydride Generation Atomic Fluorescence Spectrometry (HG AFS)

Gerffeson S. dos Santos; Laiana O. B. Silva; Aníbal F. Santos Júnior; Erik G. P. da Silva; Walter N. L. dos Santos

How to cite this article

 

The inorganic antimony speciation in natural waters was evaluated by hydride generation atomic fluorescence spectrometry (HG AFS).

http://dx.doi.org/10.21577/0103-5053.20170129

Published online: July 7, 2017

J. Braz. Chem. Soc. 2018, 29(1), 191-199

Molecular Dynamics Simulations of Cetyltrimethylammonium Bromide (CTAB) Micelles and their Interactions with a Gold Surface in Aqueous Solution

José Adriano da Silva; Roberta P. Dias; Gabriel C. A. da Hora; Thereza A. Soares; Mario R. Meneghetti

How to cite this article

 

MD simulations of: CTAB micelles in water (left) and CTAB micelles adsorbed on a gold surface in aqueous solution (right).

http://dx.doi.org/10.21577/0103-5053.20170130

Published online: July 7, 2017


Short Report J. Braz. Chem. Soc. 2018, 29(1), 200-204

Continuous Monitoring of a Transesterification Reaction Using an Analytical Balance

Matthieu Tubino; Arnaldo G. Oliveira Júnior; Acacia A. Salomão

How to cite this article

 

The image shows the system used to continuously monitor the transesterification reaction.

http://dx.doi.org/10.21577/0103-5053.20170115

Published online: June 26, 2017

J. Braz. Chem. Soc. 2018, 29(1), 205-215

New Method for Carotenoid Extraction and Analysis by HPLC-DAD-MS/MS in Freeze-Dried Citrus and Mango Pulps

Fabiane C. Petry; Adriana Z. Mercadante

How to cite this article

 

A new fast methodology for extraction and quantitative analysis of carotenoids from freeze-dried orange and mango pulps was developed and validated. A detailed identification and quantification, by HPLC-DAD-MS/MS, of carotenoids detected in such matrices are also given.

http://dx.doi.org/10.21577/0103-5053.20170127

Published online: July 3, 2017

Online version ISSN 1678-4790 Printed version ISSN 0103-5053
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