6:27, Fri May 24

Open Access/APCs

Forthcoming Papers - 2019

Articles published online ahead of print

Articles J. Braz. Chem. Soc. 2019

A Study of Chemical Composition and Enzymatic Hydrolysis of Solid Organic Waste from Agrosilvopastoral Systems

Fiama M. Cutrim ; Emily C. S. S. Ramos; Milena C. C. Abreu; Allan S. Godinho; Adeilton P. Maciel; Cáritas J. S. Mendonça; Kiany S. B. Cavalcante

The lignocellulosic wastes can be recycled by enzymatic hydrolysis for production of fermentable sugars for second generation ethanol.


Published online: May 23, 2019.

J. Braz. Chem. Soc. 2019

Square-Wave Voltammetry Determination of Ciprofloxacin in Pharmaceutical Formulations and Milk Using a Reduced Graphene Oxide Sensor

Lucas V. Faria; Jian F. S. Pereira; Gustavo C. Azevedo; Maria A. C. Matos; Rodrigo A. A. Munoz ; Renato C. Matos

Chemically-reduced graphene oxide sensor for quantification of ciprofloxacin in milk and pharmaceutical formulations.


Published online: May 22, 2019.

J. Braz. Chem. Soc. 2019

The Sulfonated Styrene-Acrylic Acid Copolymers with pH-Indicator Property

Xin Fan ; Ping Fan ; Yuehuan Wu

The figure shows the sulfonated film is yellow in acidic medium and purple in alkaline medium. The sulfonated polymer suspension is yellow at pH value below 5, and purple at the pH higher than 9.


Published online: May 22, 2019.

J. Braz. Chem. Soc. 2019

Catalytic Removal of Toluene from Air Streams by Cobalt Oxide Supported on Sepiolite

Mahdi B. Ardakani; Hasan A. Mahabadi ; Ahmad J. Jafari

A noble cobalt oxide supported on sepiolite catalyst was synthesized, characterized, and applied efficiently for degradation of toluene in air streams.


Published online: May 22, 2019.

J. Braz. Chem. Soc. 2019

Rapid and Automatic Classification of Tobacco Leaves Using a Hand-Held DLP‑Based NIR Spectroscopy Device

Zhang Jianqiang; Yang Panpan; Liu Weijuan; Yang Yanmei ; Yuan Tianjun; Hou Ying; Li Changyu

A hand-held digital light processing (DLP) based near infrared (NIR) spectroscopy device is an useful tool for grading tobacco leaves in the purchasing spot.


Published online: May 21, 2019.

J. Braz. Chem. Soc. 2019

Benzodioxol Group Driving Supramolecular Arrangement of Two Tri-Methoxy Chalcones onto Β-Secretase 1 Enzyme Active Site

Vitor S. Duarte; Jean M. F. Custodio; Murilo M. dos Anjos; Nádia M. Borges; Guilherme R. Oliveira; Hamilton B. Napolitano

A comparative docking study between two chalcones suggests tri-methoxy chalcones as candidates to beta-secretase 1 (BACE-1) inhibitors.


Published online: May 21, 2019.

J. Braz. Chem. Soc. 2019

Distribution of Metals in the Waters and Sediments of Rivers in Central Amazon Region, Brazil

Isabela C. Constantino; Grazielly C. Teodoro; Altair B. Moreira; Fabiana M. M. Paschoal; Wanderson G. Trindade; Márcia C. Bisinoti

Metals are present mainly in a particulate form and more available to be distributed in the watershed. Most of the rivers presented dissolved metal concentrations below the Brazilian regulation. Whitewaters export more amount of particulate and metals. Sediments samples are not contaminated by metals.


Published online: May 20, 2019.

J. Braz. Chem. Soc. 2019

Simple Niobium Catalysts Applied in Reflux and Ultrasound-Assisted Systems for Biofuel Synthesis

Bruno H. Arpini; Diana C. Cubides-Román; Clara L. Javarini; Milena C. de Araújo; Geraldo F. David; Reginaldo B. dos Santos; Wanderson Romão; Alvaro C. Neto; Valdemar Lacerda Jr.

Application of simple niobium compounds as catalysts under reflux and ultrasound-assisted systems in transesterification reactions.


Published online: May 20, 2019.

J. Braz. Chem. Soc. 2019

Elemental Concentration and Sulfur Chemical Speciation in the Amazonian Plant Andira surinamensis Using Synchrotron Radiation Techniques (SR-XRF, XANES), RBS and WD-XRF

Joselaine C. Gonzalez ; Grazieli Simões; Rafael B. Bernini; Lúcia H. Coutinho; Fernanda C. Stedile; Cecilia V. Nunez; Flavio C. Vicentin; Gerardo G. B. de Souza

Determination of the inorganic composition and sulfur chemical speciation in the Amazonian plant Andira suraminensis using synchrotron radiation-based techniques (X-ray absorption near edge structure (XANES) and synchrotron radiation based X-ray fluorescence (SR-XRF)), wavelength dispersive X-ray fluorescence spectrometry (WD-XRF) and Rutherford backscattering spectrometry.


Published online: May 17, 2019.

J. Braz. Chem. Soc. 2019

Construction and Evaluation of a Graphene Oxide Functionalized Aminopropyltriethoxy Silane Surface Molecularly Imprinted Polymer Potentiometric Sensor for Dipyridamole Detection in Urine and Pharmaceutical Samples

Roya Mirzajani ; Ehsan Arefiyan

Fabrication of a sensitive and selective dipyridamole potentiometric sensor based on amino silica graphene oxide molecular imprinted polymer as the molecule recognition material in multi-walled carbon nanotubes (MWNT)/carbon paste electrode (CPE) matrix.


Published online: May 16, 2019.

J. Braz. Chem. Soc. 2019

Synthesis, Molecular Modelling and Anticancer Activities of New Molecular Hybrids Containing 1,4-Naphthoquinone, 7-Chloroquinoline, 1,3,5-Triazine and Morpholine Cores as PI3K and AMPK Inhibitors in the Metastatic Melanoma Cells

Rodolfo G. Fiorot ; Regina Westphal; Bárbara C. Lemos; Rodrigo A. Romagna; Paola R. Gonçalves; Maruska R. N. Fernandes; Carmen V. Ferreira; Alex G. Taranto; Sandro J. Greco

Molecular hybrids showed anticancer activity in human metastatic melanoma cells (SKMEL-103) inhibiting the expression of PI3K and AMPK, as predicted by molecular docking.


Published online: May 16, 2019.

J. Braz. Chem. Soc. 2019

Chemosensor Development of Cu2+ Recognition Using 1,5-Diphenylthiocarbazone: Optimization, COSMO-RS and DFT Studies

Erna Normaya ; Ros Syuhada; Hakimah Ismail; Mohammad N. Ahmad; Mohd A. Yarmo; Ku H. K. Bulat

1,5-Diphenylthiocarbazone (DPT) probe in presence of Cu2+ changes from cantaloupe to gray-green color.


Published online: May 15, 2019.

J. Braz. Chem. Soc. 2019

Molecular Diagnostics of Dengue by Reverse Transcription-Loop Mediated Isothermal Amplification (RT-LAMP) in Disposable Polyester-Toner Microdevices

Geovana M. Mendes; Kézia G. Oliveira; Juliane C. Borba; Thais S. Oliveira; Fabíola S. Fiaccadori; Maurício L. Nogueira; Alexandre M. Bailão ; Célia Maria A. Soares; Emanuel Carrilho; Gabriela R. M. Duarte

We developed a low cost molecular test for the detection of dengue virus (DENV) directly from serum, which is based on reverse transcription-loop mediated isothermal amplification (RT-LAMP) assay run at 72 °C for 15 min.


Published online: May 14, 2019.

J. Braz. Chem. Soc. 2019

Dithiocarbamate Residues in Fruits and Leaves of Passion Fruit (Passiflora edulis) from Different Brazilian Regions

Joseane O. Mozzaquatro; Denise C. Mello; Reginaldo C. S. Oliveira; Raul C. C. Rosa; Ana M. Costa; Eloisa D. Caldas

Fruit and leaf samples of passion fruit (Passiflora edulis) were collected from different Brazilian regions, processed and analyzed for the presence of dithiocarbamate residues, as CS2, using a validated spectrophotometric method.


Published online: May 14, 2019.

J. Braz. Chem. Soc. 2019

Imidazo[1,2-a]pyridine A3-Coupling Catalyzed by a Cu/SiO2 Material

Helena D. de Salles; Tiago L. da Silva; Cátia S. Radatz; Ricardo F. Affeldt; Edilson V. Benvenutti; Paulo H. Schneider

A copper-silica material was prepared and characterized and applied as easy handling heterogeneous catalyst on the synthesis of biologically relevant imidazo[1,2-a]pyridines with different aryl groups in good yields.


Published online: May 14, 2019.

J. Braz. Chem. Soc. 2019

Rapid and Effective Sample Cleanup Based on Polyvinylpyrrolidone-Coated Magnetite Nanoparticles Coupled with New Pre-Column Derivatization for Determination of Aflatoxins B1, B2, G1 and G2 in Animal Feeds by High-Performance Liquid Chromatography with Fluorescence Detection

Jiao Zhao ; Yifang Zhou; Yi Zhang; Baoling Wang; Dandan Ge

Polyvinylpyrrolidone-coated Fe3O4 magnetic nanoparticles were applied as adsorbents for rapid cleanup for extracts of animal feed samples. New pre-column derivatization is used for determination of aflatoxins B1, B2, G1 and G2 by coupling trifluoroacetic acid with ultraviolet irradiation.


Published online: May 10, 2019.

J. Braz. Chem. Soc. 2019

Layered Double Hydroxides with the Composition Mn/Al-SO4-A (A = Li, Na, K; Mn:Al ca. 1:1) as Cation Exchangers

Anne R. Sotiles; Neffer A. G. Gomez; Suelen C. Silva; Fernando Wypych

Hydrated Mn/Al-SO4-A (A = Li, Na or K) layered double hydroxides with Mn:Al molar ratio close to 1:1 were synthesized and alkali metals could be partially exchanged without removing the intercalated sulfate anions.


Published online: May 9, 2019.

J. Braz. Chem. Soc. 2019

Release Behavior of Arsenic during Pyrolysis of Two Chinese Coal Gangues

Yanzhi Cao ; Xiangrui Niu; Shaoqing Guo; Libing Gao ; Lei Liang; Xianxian Wei

Release behaviors of As during pyrolysis of two coal gangues under different temperature, residence time, heating rate and N2 gas flow rate.


Published online: May 8, 2019.

J. Braz. Chem. Soc. 2019

Three Different Types of Activated Carbon and Manganese-Modified Activated Carbons as Deoxidizers for the Low-Concentration Coalbed Methane Deoxidation

Guojie Zhang ; Peng Hou; Yinghui Sun; Ying Xu; Haizhu Cheng; Yongfa Zhang

Activated carbons and manganese-modified activated carbons were used as deoxidizers for the coalbed methane deoxidation.


Published online: May 8, 2019.

J. Braz. Chem. Soc. 2019

Removal of Orange G Dye by Manganese Oxide Nanostructures

Raquel P. D. Victor ; Luiza L. M. Fontes; Antônio A. Neves ; Maria E. L. R. de Queiroz ; André F. de Oliveira; Liany D. L. Miranda

Small doses of brown birnessite or pyrolusite were sufficient to remove about 90-99% of the dye.


Published online: May 7, 2019.

Short Report J. Braz. Chem. Soc. 2019

Oxone®-Mediated Direct α-Hydroxylation of β-Dicarbonyl Compounds: Racemic Synthesis of Harzialactone A

Marcus M. Sá; Marcos M. Peterle ; Marcelo V. Marques

An environmentally benign method was developed for the α-hydroxylation of malonates and γ-lactones and the synthesis of harzialactone A was achieved.


Published online: May 7, 2019.

Articles J. Braz. Chem. Soc. 2019

Electrochemical Impedance Biosensor for the Determination of Lipopolysaccharide Using Peptide as the Recognition Molecule

Xuemei Fan ; Zhejian Li ; Shumin Wang; Lei Liu; Ping Liu; Fengying Chen; Xingwang Zheng

A highly sensitive electrochemical impedance biosensor for the determination of lipopolysaccharide was designed using peptide as the recognition molecule.


Published online: May 7, 2019.

J. Braz. Chem. Soc. 2019

Influence of Fatty Acid Methyl Ester Composition, Acid Value, and Water Content on Metallic Copper Corrosion Caused by Biodiesel

José G. Rocha Jr. ; Marcelle D. R. dos Santos; Fernanda B. Madeira; Sheisi F. L. S. Rocha; Glauco F. Bauerfeldt; Willian L. G. da Silva; Acácia A. Salomão; Matthieu Tubino

Molecular oxygen dissolved in aqueous and biodiesel phases oxidizes the unsaturated fatty methyl esters that, with the aid of passivating agents, protect copper against corrosion. Free acids dissolve the passivating agents, increasing the corrosion rate.


Published online: April 30, 2019.

J. Braz. Chem. Soc. 2019

Chitosan Imparts Better Biological Properties for Poly(ε-caprolactone) Electrospun Membranes than Dexamethasone

Bruno R. Machado; Sharise B. Roberto ; Elton G. Bonafé; Samira E. A. Camargo; Carlos H. R. Camargo; Ketul C. Popat; Matt J. Kipper; Alessandro F. Martins

Chitosan imparts better biological responses for poly(ε-caprolactone) electrospun membrane than dexamethasone.


Published online: April 30, 2019.

J. Braz. Chem. Soc. 2019

Chemical Constituents, Antiproliferative and Antioxidant Activities of Vernonanthura nudiflora (Less.) H. Rob. Aerial Parts

Anderson V. G. Ramos; Juliana L. B. Peixoto; Márcia R. P. Cabral; Ana Maria Amrein; Tatiana S. Tiuman; Solange M. Cottica; Ilza M. O. Souza; Ana Lucia T. G. Ruiz; Mary Ann Foglio ; Marta R. B. Carmo; Maria Helena Sarragiotto; Debora C. Baldoqui

Piptocarphins A, B, D and a new sesquiterpene lactone, 8α-tigloyloxy-10α-hydroxy-hirsutinolide, along with triterpenes, flavonoids and chlorogenic acid derivative were isolated from Vernonanthura nudiflora. The isolated sesquiterpene lactones showed in vitro antiproliferative activity against human cancer cell lines.


Published online: April 30, 2019.

J. Braz. Chem. Soc. 2019

Alternative Non-Ionic Pathway for Uncatalyzed Prins Cyclization: DFT Approach

Rodolfo G. Fiorot ; Gottimukkala Rambabu; Vijayaparthasarathi Vijayakumar; Yarragudi B. Kiran ; José W. M. Carneiro

Identifying alternative and more favorable non-ionic pathway for uncatalyzed Prins cyclization by means of density functional theory (DFT) calculations.


Published online: April 29, 2019.

J. Braz. Chem. Soc. 2019

The Influence of Different Ammonium Cations on the Optical Properties of Tetrakis GdIII and EuIII Complexes

Renata D. Adati ; Jorge H. S. K. Monteiro; Lucas P. Cardoso; Daniel H. de Oliveira; Miguel Jafelicci Jr.; Marian R. Davolos

The counterion-tetrakis GdIII and EuIII complexes interaction evaluated by spectroscopic data/theoretical methods will provide guidance for development of displays.


Published online: April 26, 2019.

J. Braz. Chem. Soc. 2019

Inhibition of Zika Virus Replication by Synthetic Bis-Naphthoquinones

Daniel T. G. Gonzaga; Rafaela S. P. Gomes; Roberta K. F. Marra; Fernando C. da Silva ; Max W. L. Gomes; Davis F. Ferreira; Raissa M. A. Santos; Ana M. V. Pinto; Norman Arthur Ratcliffe; Claudio C. Cirne-Santos; Caroline S. Barros; Vitor F. Ferreira; Izabel Christina N. P. Paixão

This study screening bis-naphthoquinones series against Zika virus. The findings showed that among the compounds analyzed four were promising.


Published online: April 25, 2019.

J. Braz. Chem. Soc. 2019

The Effects of pH Values on Functional Mechanisms of Nitrite Anions for Q235 Carbon Steels in
0.01 mol L-1 NaNO2-HCl Solutions

Yong Zhou ; Pei Zhang; Huiju Huang; Jinping Xiong; Fuan Yan

The occurrence of uniform corrosion (UC), intergranular corrosion (IGC) and pitting corrosion (PC) was observed on the surface of Q235 carbon steels in 0.01 mol L-1 NaNO2-HCl solutions with pH 1 and 2, pH 3 and 4, and pH 5 and 6, respectively.


Published online: April 24, 2019.

J. Braz. Chem. Soc. 2019

New Strategies in Enantioselective Hydrogenation on Supported Transition Metal Catalyst: Effects of Metal Sintering and Support Swelling

Nicolás R. Carrara ; Juan M. Badano; Gustavo Mendow; Doris Ruiz; Carlos R. Vera; Mónica E. Quiroga

A novel method for sintering Pt metal particles by nitrile reduction was used, observing a controlled migration of the metal particles to the surface layers. The optimal particle size that maximized the enantiomeric excess (eeR) was obtained at 24 h sintering.


Published online: April 23, 2019.

J. Braz. Chem. Soc. 2019

Palladium Nanoparticles Supported on β-Cyclodextrin Functionalized Poly(amidoamine)s and Their Application in Suzuki-Miyaura Cross-Coupling Reactions

Wei Zhang ; Zi-Jian Yao; Wei Deng

Presented here is the synthesis, characterization and catalytic properties of an organic-inorganic hybrid material, Pd@PAAs-CD. This hybrid material was used to catalyze Suzuki-Miyaura cross-coupling reactions between substituted aryl halides and phenyl boronic acid in high yields. The high reaction efficiency makes this new catalyst system a useful alternative to other recently-developed methods for the preparation of substituted arenes. In addition, it is also demonstrated that Pd@PAAs-CD can be recycled and reused in further cross-coupling reactions.


Published online: April 23, 2019.

J. Braz. Chem. Soc. 2019

Pesticide Determination in Water Samples from a Rural Area by Multi-Target Method Applying Liquid Chromatography-Tandem Mass Spectrometry

Mariana B. Almeida; Tiago B. Madeira; Lycio S. Watanabe; Paulo Cesar Meletti; Suzana Lucy Nixdorf

Liquid chromatography-tandem mass spectrometry (LC-MS/MS) multi-target screening and quantitation indicated alarming pesticide contamination in all waters sources analyzed from a rural area.


Published online: April 18, 2019.

J. Braz. Chem. Soc. 2019

Tuning Emitting Color of Electroluminescent Devices Containing Tris(2‑acyl‑1,3‑indandionate)aluminum(III) Complexes as Emitting Layers

Israel F. Costa; Jandeilson L. Moura; Rian E. Aderne; Harold C. Avila; Marco Cremona; Hermi F. Brito; Maria Cláudia F. C. Felinto; Wagner M. Faustino; Ercules E. S. Teotonio

The photo- and electroluminescence properties of novel 2-acyl-1,3-indandionate complexes were investigated. The electroluminescent devices with configurations glass/ITO/β-NPB/[Al(acind)3]/LiF/Al and glass/ITO/β-NPB/spiro-2CBP/[Al(acind)3]/Al exhibited red and green emission colors, respectively, under applied voltage.


Published online: April 17, 2019.

J. Braz. Chem. Soc. 2019

Addition of CeO2 Nanorods in PtSn-Based Electrocatalysts for Ethanol Electrochemical Oxidation in Acid Medium

Tuani C. Gentil; Victor S. Pinheiro; Edson C. Paz; Felipe M. Souza; Luanna S. Parreira; Mauro C. Santos

Synthesis of PtSn-based electrocatalysts with CeO2 nanorods used in the ethanol electrochemical oxidation for power generation.


Published online: April 15, 2019.

J. Braz. Chem. Soc. 2019

In vitro Antiplasmodial Activities of Alkaloids Isolated from Roots of Worsleya procera (Lem.) Traub (Amaryllidaceae)

Karla L. Gonring-Salarini; Raphael Conti; Jean Paulo de Andrade; Bárbara Juliana P. Borges; Anna Caroline C. Aguiar; Juliana O. de Souza; Camila L. Zanini; Glaucius Oliva; Juan Carlos Tenorio; Javier Ellena; Jaume Bastida; Rafael V. C. Guido; Warley de S. Borges

Fifteen alkaloids were identified from roots of Worsleya procera. The alkaloids and extracts were tested in vitro against Plasmodium falciparum.


Published online: April 11, 2019.

J. Braz. Chem. Soc. 2019

Chemical Composition and Anti-Inflammatory Activity of the Decoction from Leaves of a Cultivated Specimen of Myracrodruon urundeuva

Nayara C. Aquino; Emerson F. Queiroz; Laurence Marcourt; Lyara B. N. Freitas; Emmanuel V. O. Araújo; Luzia K. A. M. Leal; Antonio M. E. Bezerra; Julien Boccard; Jean-Luc Wolfender; Edilberto R. Silveira

Twenty-four chemical constituents of the decoction from leaves (showing anti-inflammatory activity) of a cultivated specimen of Myracrodruon urundeuva have been isolated and characterized by modern hyphenated chromatography methods (high-speed counter-current chromatography (HSCCC), ultra high-performance liquid chromatography-photodiode array (UHPLC-PDA), and HPLC-PDA-evaporative light scattering detector (ELSD)) and spectroscopy (high-resolution mass spectrometry (HRMS), and 1D and 2D nuclear magnetic resonance (NMR)).


Published online: April 10, 2019.

J. Braz. Chem. Soc. 2019

Production and Characterization of the Bio-Oil Obtained by the Fast Pyrolysis of Spent Coffee Grounds of the Soluble Coffee Industry

Maurício C. Krause; Adriana C. Moitinho; Luiz Fernando R. Ferreira; Ranyere L. de Souza; Laiza C. Krause; Elina B. Caramão

Spent coffee grounds (SGC) from the industrial production of soluble coffee were extracted in Soxhlet generating an oil rich in linoleic and oleic acid. The solid residue of this extraction was subjected to pyrolysis producing bio oil. The bio-oil was analyzed by gas chromatography coupled to the mass spectrometry (GC-MS) allowing the identification of several compounds important for the chemical industry and for the production of biofuels (phenols, acids, caffeine, indole, hydrocarbons)


Published online: April 9, 2019.

J. Braz. Chem. Soc. 2019

Synthesis of Highly Ordered Mesoporous MCM-41: Selective External Functionalization by Time Control

Ana Claudia P. da Silva; Patrícia H. Y. Cordeiro; Bianca M. Estevão; Wilker Caetano; Hellmut Eckert; Silvana M. O. Santin; Murilo P. Moisés; Noboru Hioka; André L. Tessaro

The 3-aminopropyltriethoxysilane (APTES) addition after 90 min of synthesis resulted in a nanoparticle with higher resistance to the extraction process and with more NH2 groups located on the outer surface.


Published online: April 9, 2019.

J. Braz. Chem. Soc. 2019

Droplet Size Distribution in Water-Crude Oil Emulsions by Low-Field NMR

Vinícius G. Morgan; Cristina M. S. Sad; Andre F. Constantino; Rodrigo B. V. Azeredo; Valdemar Lacerda Jr.; Eustáquio V. R. Castro; Lúcio L. Barbosa

Droplet size distribution measurements by low field nuclear magnetic resonance (NMR) in water/oil (W/O) crude oil emulsions prepared under different shear conditions.


Published online: April 9, 2019.

Review J. Braz. Chem. Soc. 2019

Films Formed on Carbon Steel in Sweet Environments - A Review

Igor A. Fioravante; Ronaldo S. Nunes; Heloisa A. Acciari; Eduardo N. Codaro

Illustration of the cross section of an oil pipeline showing the scale formed by sweet corrosion.


Published online: April 8, 2019.

Articles J. Braz. Chem. Soc. 2019

Caryopristimerin, the First Example of a Sesquiterpene-Triterpene Homo Diels‑Alder Adduct, and a New 29-nor-Friedelane from Roots of Salacia crassifolia

Josana P. dos Santos; Bernardo L. Rodrigues; Willian X. C. Oliveira ; Fernando C. Silva; Grasiely F. de Sousa ; Sidney A. Vieira Filho; Lucienir P. Duarte ; Roqueline R. Silva

Two new compounds, caryopristimerin and 2α,3α,22β-trihydroxy-21-oxo-29-nor-friedelan-24-oic acid, were isolated from Salacia crassifolia roots. This is the first report of a dimer formed with a quinonemethide-derivative and the sesquiterpene caryophyllene (caryopristimerin) linked by carbon-carbon bonds possibly via homo Diels-Alder reaction.


Published online: April 4, 2019.

J. Braz. Chem. Soc. 2019

4D-QSAR Study of 17β-Hydroxysteroid Dehydrogenase Type 3 Inhibitors

João Paulo A. Martins ; Eduardo B. de Melo

4D-quantitative structure-activity relationships (QSAR) models obtained from conformational sampling profiles derived by molecular dynamics.


Published online: April 1, 2019.

J. Braz. Chem. Soc. 2019

BDD-Electrolysis of Oxalic Acid in Diluted Acidic Solutions

Tamires F. da Costa; José E. L. Santos; Djalma R. da Silva; Carlos A. Martínez‑Huitle

The effect of supporting electrolyte concentration as well as the role of oxidants in solution play an important role in the chemical/electrochemical process at the molecular level (electron-transfer, solvation, diffusion, adsorption species) at boron-doped diamond (BDD) surface.


Published online: March 29, 2019.

J. Braz. Chem. Soc. 2019

Solid Phase Extraction Using SiO2/Al2O3/TiO2 Ternary Oxide for Cu2+ Preconcentration

Evelyn F. Pinheiro; José Guilherme A. Rodrigues; Gláucio G. Honório; Jéssica N. da Cunha; Carlos Eduardo R. de Paula; Débora F. de Andrade; Emerson S. Ribeiro ; Eliane D'Elia

A SiO2/Al2O3/TiO2 ternary mixed oxides was used to study in preconcentration/separation for Cu2+ determination in cachaça samples by square wave anodic stripping voltammetry.


Published online: March 29, 2019.

J. Braz. Chem. Soc. 2019

An Alternative and Simple Method for the Preparation of Bare Silica Nanoparticles Using Sugarcane Waste Ash, an Abundant and Despised Residue in the Brazilian Industry

Suzimara Rovani ; Jonnatan J. Santos; Paola Corio; Denise A. Fungaro

Bare silica nanoparticles were successfully synthesized from sugarcane waste ash; the particles are smaller than 100 nm and have a surface area of 63 m2 g-1.


Published online: March 27, 2019.

J. Braz. Chem. Soc. 2019

Advanced Oxidation Processes to the Remediation of Liquid Residue from the Thermal Treatment of Oily Sludge

Graziela S. Costa; Christine A. Althoff; Jéssica T. Schneider; Patricio Peralta-Zamora

The thermal treatment of the oily sludge produces three new residues. This study aims to remediate the liquid residue applying advanced oxidative processes.


Published online: March 27, 2019.

J. Braz. Chem. Soc. 2019

Optimizing the Extraction of Anthocyanins from the Skin and Phenolic Compounds from the Seed of Jabuticaba Fruits (Myrciaria jaboticaba (Vell.) O. Berg) with Ternary Mixture Experimental Designs

Michelly C. Paludo; Ronan C. Colombo; José Teixeira Filho; Isidro Hermosín‑Gutiérrez; Cristiano A. Ballus; Helena T. Godoy

Extraction protocols for phenolic compounds from the seed and total monomeric anthocyanins from the skin of "Sabará" jabuticaba (SF) were optimized with simplex lattice designs for solvent mixing. Both optimized extraction protocols proved to be fast, simple, and low cost.


Published online: March 26, 2019.

J. Braz. Chem. Soc. 2019

Determination of Antibiotics Residues in Milk Using a QuEChERS Method Using Full Factorial Design and Liquid Chromatography-Tandem Mass Spectrometry

Andressa H. A. Grabsk; João Raul B. de Souza; Francilaine E. De Marchi; Rodolpho M. do Prado; Geraldo T. dos Santos; Carla Porto; Eduardo J. Pilau

Determination of ceftiofur, cloxacillin and enrofloxacin in cow milk by optimized quick, easy, cheap, effective, rugged and safe (QuEChERS) methodology.


Published online: March 26, 2019.

J. Braz. Chem. Soc. 2019

Evaluation of the Lipid Quality of Lyophilized Pasteurized Human Milk for Six Months by GC-FID and ESI-MS

Luciana P. Manin ; Adriela A. Rydlewski ; Marília B. Galuch ; Jessica S. Pizzo ; Caroline D. Zappielo ; Carlos E. R. Senes; Oscar O. Santos ; Jesuí V. Visentainer

The study of the lipid stability of lyophilized human milk is very important for human milk banks. This study presents the values of acidity, fat content, composition of fatty acids and triacylglycerols profile of lyophilized human milk at times 0, 30, 60, 90, 120, 150 and 180 days of storage.


Published online: March 25, 2019.

J. Braz. Chem. Soc. 2019

A Microwave-Enhanced Synthesis and Biological Evaluation of N-Aryl‑5,6,7,8‑tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amines

Qing Han ; Zijian Yin; Jingjiao Sui; Qingming Wang; Yaquan Sun

A series of thieno[2,3-d]pyrimidin-4-amine derivatives were synthesized by using a microwave-enhanced conditions. Amongst these compounds, three exhibited moderate cytotoxic activities against A549, CT26 and HepG2 cell lines.


Published online: March 19, 2019.

J. Braz. Chem. Soc. 2019

When Serendipity Knocks on the Door: Synthesis and Physicochemical Characterization of 7-Chloro-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidin-5-one

Christian C. Carmona-Vargas ; Javier Ellena ; Richard F. D'Vries ; Manuel N. Chaur

7-Chloro-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidin-5-one was obtained in a serendipitous way in a chlorination reaction of a thiobarbituric acid derivative.


Published online: March 19, 2019.

J. Braz. Chem. Soc. 2019

Determination of Coconut Oil Adulteration with Soybean Oil by Direct Infusion Electrospray Ionization Mass Spectrometry

Jessica S. Pizzo ; Marília B. Galuch ; Patrícia D. S. Santos; Luciana P. Manin ; Caroline D. Zappielo ; Orivaldo J. Silva Filho; Oscar O. Santos ; Jesuí V. Visentainer

Coconut oil is used domestically because of its health benefits. Nevertheless, it is a high-cost material and it has been subject to adulterations with lower price oils and fats. This study reports a fast, simple and conclusive methodology to detect low quantities of intentionally adulterated coconut oil with soybean oil.


Published online: March 14, 2019.

J. Braz. Chem. Soc. 2019

Ligand and Solvent Effects on the Structural and Optical Properties of Au13L83+ Clusters: a Density Functional Theory Study

Edna S. Machado ; Nailton M. Rodrigues; Marcus V. A. Prado; José D. L. Dutra; Nivan B. da Costa Júnior; Viviane C. Felicíssimo

Optical absorption spectra in gas phase and in solvents of different polarities for Au13L83+.


Published online: March 12, 2019.

J. Braz. Chem. Soc. 2019

Fluoroquinolones in Hospital Wastewater: Analytical Method, Occurrence, Treatment with Ozone and Residual Antimicrobial Activity Evaluation

Caio Rodrigues-Silva ; Rafael S. Porto; Sabrina G. dos Santos; Jerusa Schneider; Susanne Rath

Fluoroquinolones were detected in wastewater samples (up to 34 ng mL-1). Ozonation can remove antimicrobial activity from these samples.


Published online: March 8, 2019.

J. Braz. Chem. Soc. 2019

Assessing the Spatial Distribution of Key Flavonoids in Mentha × piperita Leaves: An Application of Desorption Electrospray Ionization Mass Spectrometry Imaging (DESI-MSI)

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

Desorption electrospray ionization mass spectrometry imaging (DESI-MSI) was used to assess the spatial distribution of some key flavonoids in peppermint (Mentha × piperita L.) leaves.


Published online: March 8, 2019.

J. Braz. Chem. Soc. 2019

Synthesis and Biological Evaluation of New Eugenol-Derived 1,2,3-Triazoles as Antimycobacterial Agents

Thiago dos Santos; Camila M. Coelho ; Thiago C. Elias; Fallon S. Siqueira; Eloísa S. S. D. Nora; Marli M. A. de Campos; Gabriel A. P. de Souza; Luiz F. L. Coelho; Diogo T. Carvalho

Sixteen eugenol-derived 1,2,3-triazoles were synthesized and evaluated against rapid growing mycobacteria of difficult clinical management.


Published online: March 6, 2019.

J. Braz. Chem. Soc. 2019

Characterization and in silico Mutagenic Assessment of a New Betahistine Degradation Impurity

Murilo B. M. de Mello; Antonio A. F. de Oliveira; Caroline L. de Oliveira; Mariah A. Ultramari; Fernando H. S. Gama; Alessandra Mascarello; Cristiano R. W. Guimarães; Miller N. de Freitas; Carlos E. Cunha; Tiago C. Lourenço; Fernanda P. Ferreira; João L. C. Lopes; Giuliano C. Clososki

Systematic investigation of a forced degradation sample led to the characterization of a new betahistine impurity.


Published online: March 1, 2019.

J. Braz. Chem. Soc. 2019

Determination of Plant Growth Regulators in Chinese Herbal Medicine: A Comparison of Liquid (QuEChERS) and Solid (MSPD) Extraction Methods

Bingjun Han ; Bing Qian; Yan He; Lixu Peng

Quick, easy, cheap, effective, rugged and safe (QuEChERS) and matrix solid-phase dispersion (MSPD) methods were chosen and compared for the determination of the plant growth regulators in Chinese herbal medicines.


Published online: February 28, 2019.

J. Braz. Chem. Soc. 2019

A Comparative Study on Chemical Composition, Antileishmanial and Cytotoxic Activities of the Essential Oils from Leaves of Guarea macrophylla (Meliaceae) from Two Different Regions of São Paulo State, Brazil, Using Multivariate Statistical Analysis

Emerson A. Oliveira; Euder G. A. Martins; Marisi G. Soares; Daniela A. Chagas‑Paula; Luiz F. D. Passero; Patricia Sartorelli; João L. Baldim; João Henrique G. Lago

A study on chemical composition, antileishmanial and cytotoxic activities of the essential oils from leaves of Guarea macrophylla (Meliaceae) using multivariate statistical analysis was performed in the present work.


Published online: February 27, 2019.

J. Braz. Chem. Soc. 2019

Design, Synthesis, Trypanocidal Activity, and Studies on Human Albumin Interaction of Novel S-Alkyl-1,2,4-triazoles

Tatiany N. Franklim; Leonardo Freire-de-Lima; Otávio A. Chaves; Isabel F. LaRocque-de-Freitas; Joana D. da Silva-Trindade; José C. Netto‑Ferreira; Célio G. Freire-de-Lima; Debora Decoté-Ricardo; José O. Previato; Lucia Mendonça‑Previato; Marco E. F. de Lima

A series of eight new 1,2,4-triazoles derived from natural piperine was synthesized. Three compounds showed the best profile of toxic effects against T. cruzi, comparable to that obtained to benznidazole.


Published online: February 26, 2019.

J. Braz. Chem. Soc. 2019

Maturation and Maceration Effects on Tropical Red Wines Assessed by Chromatography and Analysis of Variance - Principal Component Analysis

Janaína A. Barbará; Érica A. S. Silva; Aline C. T. Biasoto; Adriano A. Gomes; Luiz C. Correa; Patrícia C. S. Leão; Cláudia A. Zini

Different experimental conditions were tested in the elaboration of Syrah wines. Wines produced from riper grapes and macerated over longer periods were richer in volatiles with pleasant aromas and phenolics that are known to provide sensory characteristics appropriate to wine.


Published online: February 25, 2019.

J. Braz. Chem. Soc. 2019

Fatty Acid Determination in Fermented Milk Samples Employing Direct Esterification and Gas Chromatography

Angélica F. B. Piccioli ; Patrícia D. S. Santos; Roberta da Silveira; Elton Bonafé; Jesuí V. Visentainer; Oscar O. Santos

A fast and simple analytical method was developed for the determination of fatty acid in fermented milk samples employing direct esterification and gas chromatography.


Published online: February 19, 2019.

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