3:58, Sun Dec 8

Open Access/APCs

Forthcoming Papers - 2019

Articles published online ahead of print

Articles J. Braz. Chem. Soc. 2019

Assessment of Atmospheric PM10 Pollution Levels and Chemical Composition in Urban Areas near the 2016 Olympic Game Arenas

Elizanne P. S. Justo; Maria Fernanda C. Quijano; Karmel Beringui; Tatiana D. Saint'Pierre; Adriana Gioda

This work describes the sampling and chemical analysis scheme of collected particulate matter (PM) and the study site picture.


Published online: December 6, 2019.

J. Braz. Chem. Soc. 2019

Variability of the Volatile Organic Compounds of Achillea millefolium L. According to the Collection Time, Type of Polyethylene Packaging and Storage Period

Aurilene A. Vasconcelos; Elenilson G. Alves Filho; Tigressa H. S. Rodrigues; Adriely F. Vieira; Renato Innecco; Gisele S. Silva; Guilherme J. Zocolo

The metabolic profile of Achillea millefolium essential oil by chemometric analysis on gas chromatography-mass spectrometry (GC-MS) data in six different collection times and five storage periods, employing three different polyethylene packages, viz. white, silver and black.


Published online: December 3, 2019.

J. Braz. Chem. Soc. 2019

Regenerated Cellulose Membrane from Peanut Shell for Biodiesel Purification

Ana Maria S. Reis; Andressa T. Vieira; Allyson L. R. Santos; Marcos V. Ferreira; Antônio C. F. Batista; Rosana M. N. Assunção; Guimes Rodrigues Filho; Elaine A. M. Ribeiro; Anizio M. Faria

Preparation of regenerated cellulose membrane from peanut shell for purification of biodiesel.


Published online: December 2, 2019.

J. Braz. Chem. Soc. 2019

Synthesis, Characterization and in vitro, in vivo and in silico Anti-Inflammatory Studies of the Novel Hybrid Based on Ibuprofen and 3-Hydroxy-Copalic Acid Isolated from Copaiba Oil (Copaifera multijuga)

Fábio C. de Souza; Larissa F. Brito; Marcos T. Silva; Michelle A. Sugimoto; Ana Cristina S. Pinto; Patrícia D. O. de Almeida; Rodrigo O. S. Souza; Renyer A. Costa; Fernanda Guilhon-Simplicio ; Almir G. Wanderley; Kelson M. T. de Oliveira; Lirlândia P. Sousa; Valdir F. da Veiga-Junior ; Emerson S. Lima

Pleurisy inhibition and gastroprotective in vivo effects, in vitro cytotoxicity, inhibition of tumor necrosis factor (TNF) and in silico assays (docking with enzyme cyclooxygenase (COX)) were performed to the novel hybrid of ibuprofen and 3-hydroxy-copalic acid isolated from copaiba oil.


Published online: November 26, 2019.

J. Braz. Chem. Soc. 2019

Combretastatin A-4: The Antitubulin Agent that Inspired the Design and Synthesis of Styrene and Spiroisatin Hybrids as Promising Cytotoxic, Antifungal and Antiviral Compounds

Yaneth M. Brand ; Vladimir V. Kouznetsov ; Carlos E. Puerto ; Vicky C. R. Linares ; Verónica T. Castaño; Liliana Betancur-Galvis

A series of combretastatin A-4 hybrids were designed, synthesized and evaluated in order to explore new cytotoxic, antifungal and antiviral agents.


Published online: November 26, 2019.

J. Braz. Chem. Soc. 2019

Chitosan and Agaricus brasiliensis Polysaccharides Films: A Preliminary Study

Maria L. C. Gonzaga; Matheus S. Campelo; Katarina B. Saraiva; Alan Q. S. Santos; Luzia K. A. M. Leal; Nágila M. P. S. Ricardo; Sandra A. Soares; Maria Elenir N. P. Ribeiro

Polysaccharide films of Agaricus brasiliensis mushroom for wound care.


Published online: November 25, 2019.

J. Braz. Chem. Soc. 2019

Specific Disulfide Bond Formation Directed by Peptide Nucleic Acids

Lin Cai; Wen Hou

Peptides were linked to the pair of complementary peptide nucleic acid (PNAs) by native chemical ligation, respectively, and base pairing drove the two peptides into close proximity for interchain disulfide bond formation.


Published online: November 22, 2019.

J. Braz. Chem. Soc. 2019

Zn2Al Layered Double Hydroxides Intercalated with Nitrate and p-Aminobenzoate as Ultraviolet Protective Agents in Low-Density Polyethylene Nanocomposites and Natural Insulating Oils

Neffer A. G. Gómez; Gabriel M. Silva; Helena M. Wilhelm; Fernando Wypych

Zn2Al layered double hydroxides were used as ultraviolet oxidation protectors in low density polyethylene and natural insulating oils.


Published online: November 21, 2019.

J. Braz. Chem. Soc. 2019

An Alternative Spectrophotometric Determination of Carbaryl Insecticide Residues in Water Samples Using the Cerium-Catalyzed Belousov-Zhabotinsky Oscillating Reaction

Titikan Somboon ; Yanawath Santaladchaiyakit; Sira Sansuk; Supalax Srijaranai

Spectrophotometric determination of carbaryl using the cerium-catalyzed Belousov-Zhabotinsky reaction.


Published online: November 19, 2019.

J. Braz. Chem. Soc. 2019

Synthesis, in silico Study and Antimicrobial Evaluation of New Diesters Derived from Phthaloylglycine

Rafael F. de Oliveira ; Helivaldo D. S. Souza; Francinara S. Alves; Abraão P. de Sousa; Priscila S. V. de Lima; Min-Fu N. Huang; Laísa V. Cordeiro; Hermes Diniz Neto ; Edeltrudes O. Lima; Emmely O. Trindade; José M. Barbosa-Filho ; Petrônio F. de Athayde‑Filho

New diesters compounds derived from phthaloylglycine and their use in medicinal chemistry are still unpublished. Due to the increase in antimicrobial resistance, new categories of substances with potential biological activity against pathogenic microorganisms have been increasingly studied.


Published online: November 19, 2019.

J. Braz. Chem. Soc. 2019

Chemically-Activated Biochar from Ricinus communis L. Cake and Their Potential Applications for the Voltammetric Assessment of Some Relevant Environmental Pollutants

Cristiane Kalinke; Paulo R. de Oliveira; Antonio S. Mangrich ; Luiz H. Marcolino‑Junior; Márcio F. Bergamini

Castor bean activated biochar was characterized and used for electrodes construction for voltammetric application.


Published online: November 19, 2019.

J. Braz. Chem. Soc. 2019

In silico Risk Assessment Studies of New Psychoactive Substances Derived from Amphetamines and Cathinones

Eduardo B. de Melo ; João P. A. Martins ; Caio H. P. Rodrigues ; Aline T. Bruni

This paper aims to create a program using Java programming language for-log of half maximal inhibitory concentration (pIC50) prediction of amphetamines and cathinones using the fundamentals of quantitative structure-activity relationship (QSAR).


Published online: November 13, 2019.

Review J. Braz. Chem. Soc. 2019

Recent Developments on the Elucidation of Colloidal Aspects of Asphaltenes and Their Relevance to Oilfield Problems

Lia B. S. Balestrin ; Watson Loh

This review discusses colloidal aspects of crude oil asphaltenes and their impact on oil production issues.


Published online: November 8, 2019.

Articles J. Braz. Chem. Soc. 2019

Methodology Development and Validation of Amphotericin B Stability by HPLC‑DAD

Marciela B. Montenegro; Stefânia P. de Souza; Raquel A. C. Leão; Helvécio V. A. Rocha; Claudia M. de Rezende; Rodrigo O. M. A. de Souza

This is amphotericin B (AMB), an antibiotic highly unstable. For this reason, the objective of this work is the development of an indicative method of stability for AMB.


Published online: November 7, 2019.

Review J. Braz. Chem. Soc. 2019

An Overview of the Photocatalytic H2 Evolution by Semiconductor-Based Materials for Nonspecialists

Ivo F. Teixeira ; Jhon Quiroz; Mauricio S. Homsi; Pedro H. C. Camargo

We review semiconductor photocatalysts for the H2 evolution reaction that have displayed the best reported activities and quantum efficiencies.


Published online: November 7, 2019.

Articles J. Braz. Chem. Soc. 2019

Optimization of Alkaline, Acidic, Ionic Liquid and Oxidative Pretreatments for Coconut Waste Conversion into Fermentable Sugars

Magale K. D. Rambo ; Polyana M. de Melo ; Márcia M. C. Ferreira; Michele C. D. Rambo; Daniel A. Bertuol; Victor L. Mota

Four different pretreatments were optimized and tested in coconut waste, to evaluate its potential as source of fermentable sugars.


Published online: October 31, 2019.

Short Report J. Braz. Chem. Soc. 2019

Easy Epoxidation of Monoterpenes from Common Starting Materials

John H. Bermudez; Giovanni Rojas ; Ricardo B. Benitez; Jaime M. Franco

Epoxidation of monoterpenes by the in situ production of a peroxyacid without the use of catalyst at room temperature produced up to 75% pure epoxide.


Published online: October 30, 2019.

Articles J. Braz. Chem. Soc. 2019

Simple GFAAS Method for Determination of Pb, As, and Cd in Cannabidiol Extracts Used for Therapeutic Purposes

Patricia A. Nascimento; Juliana Schultz; Mario H. Gonzalez; Andrea Oliveira

There is increasing permitted use worldwide of cannabidiol (CBD) extracts for medical purposes, such as the treatment of epilepsy and other chronic diseases. It is therefore necessary to be able to determine the inorganic chemical compositions of these formulations.


Published online: October 29, 2019.

J. Braz. Chem. Soc. 2019

Assessment of Reaction Parameters in the Polymeric Carbon Nitride Thermal Synthesis and the Influence in Photocatalytic Hydrogen Production

Dalila S. Monteiro; Marcus Vinicius S. Silva; Luciana A. Silva

Thiourea thermally treated for longer time with intermediary heating rate gave rise to the most active photocatalyst for hydrogen production, S-doped polymeric carbon nitride (PCN).


Published online: October 29, 2019.

Short Report J. Braz. Chem. Soc. 2019

Influence of the Capping Agent PVP of the Outer Layer of Pd Nanocubes Surface on the Catalytic Hydrogenation of Unsaturated C−C Bonds

Suelen C. Buratto; Eloah Latocheski; Daniela C. de Oliveira; Josiel B. Domingos

The number of washing cycles in the removal of capping agent polyvinylpyrrolidone (PVP) excess present in the outer layers of palladium nanocubes, in the post-synthesis purification step, is shown to strongly affect the catalytic activity on the hydrogenation reaction of unsaturated C−C bonds.


Published online: October 29, 2019.

Articles J. Braz. Chem. Soc. 2019

Crystal Structure and 1H NMR Experimental and Theoretical Study of Conformers of 5-Methyl-1-(4'-methylphenylsulfonylamino)-1H-[1,2,3]-triazole-4-carboxylic Acid Ethyl Ester and 5-Methyl-1-(phenylsulfonylamino)-1H-[1,2,3]-triazole-4-carboxylic Acid Ethyl Ester

Maria C. R. Freitas ; Vinicius R. Campos; Jackson A. L. C. Resende; Marcos M. P. da Silva; Vitor F. Ferreira; Anna Claudia Cunha; José W. M. Carneiro; Mateus R. Lage; Leonardo A. de Souza; Haroldo C. Silva; Wagner B. de Almeida

Experimental and density functional theory (DFT) simulated evidences of conformational change of 1,2,3-triazole from solid form to CDCl3 solution.


Published online: October 23, 2019.

J. Braz. Chem. Soc. 2019

Isolation, in vitro and in silico Evaluation of Phenylethanoid Glycoside from Arrabidaea brachypoda as Lipoxygenase Inhibitor

Camila S. Bertanha; Valéria M. M. Gimenez; Ricardo A. Furtado; Denise C. Tavares; Wilson R. Cunha; Márcio L. Andrade e Silva ; Ana H. Januario ; Alexandre Borges; Daniel F. Kawano; Renato L. T. Parreira ; Patrícia M. Pauletti

Obtention of conandroside as a promising lipoxygenase inhibitor in an in vitro assay and molecular docking analysis.


Published online: October 22, 2019.

J. Braz. Chem. Soc. 2019

Structural and Functional Stabilization of Sericin from Bombyx mori Cocoons in a Biopolysaccharide Film: Bioorigami for Skin Regeneration

Victor M. Balcão; Liliam K. Harada; Ludmilla R. Jorge; José M. Oliveira Jr.; Matthieu Tubino; Marta M. D. C. Vila

Sericin extracted from Bombyx mori cocoons was used for the development of a film for use in human skin.


Published online: October 21, 2019.

J. Braz. Chem. Soc. 2019

Synthesis of Glycerol-Derived 4-Alkyl-Substituted 1,2,3-Triazoles and Evaluation of Their Fungicidal, Phytotoxic, and Antiproliferative Activities

Adilson V. Costa ; Luiza C. Moreira; Roberta T. Pinto; Thammyres A. Alves; Vitor V. Schwan; Vagner T. de Queiroz; Milene M. Praça-Fontes ; Róbson Ricardo Teixeira ; Pedro A. B. Morais; Waldir C. de Jesus Júnior

Nine 1,2,3-triazole derivatives were synthesized and had their fungicidal, phytotoxic and antiproliferative activities evaluated.


Published online: October 16, 2019.

J. Braz. Chem. Soc. 2019

Insecticidal and Acaricidal Activity of Essential Oils Rich in (E)-Nerolidol from Melaleuca leucadendra Occurring in the State of Pernambuco (Brazil) and Effects on Two Important Agricultural Pests

Milena M. C. da Silva; Claudio A. G. da Camara; Marcilio M. de Moraes; João P. R. de Melo; Rodrigo B. dos Santos; Roberta C. S. Neves

Essential oils rich in (E)-nerolidol were identified in different parts of M. leucadendra from Pernambuco, Brazil. Essential oils presented high toxicity against adults and eggs of T. urticae and P. xylostella


Published online: October 15, 2019.

J. Braz. Chem. Soc. 2019

Chitosan-Sodium Alginate Polyelectrolyte Complex Coating Pluronic® F127 Nanoparticles Loaded with Citronella Essential Oil

Mariele P. Sanches; Idejan P. Gross; Rodrigo H. Saatkamp; Alexandre L. Parize; Valdir Soldi

The present study reports the high encapsulation efficiency and the in vitro release study of citronella essential oil in Pluronic® F127 nanoparticles coated with chitosan-sodium alginate polyelectrolyte complex.


Published online: October 14, 2019.

J. Braz. Chem. Soc. 2019

Study of Thermoplastic Extrusion and Its Impact on the Chemical and Nutritional Characteristics in Two Sorghum Genotypes SC 319 and BRS 332

Flávia A. Campelo; Gilberto S. Henriques; Maria Lucia F. Simeone ; Valéria A. V. Queiroz; Mauro R. Silva; Rodinei Augusti ; Júlio O. F. Melo ; Inayara C. A. Lacerda; Raquel L. B. Araújo

Evaluation of the effect of extrusion on the discrimination of Sorghum bicolor by paper spray mass spectrometry.


Published online: October 14, 2019.

J. Braz. Chem. Soc. 2019

Metabolomics-Based Discovery of Biomarkers with Cytotoxic Potential in Extracts of Myracrodruon urundeuva

Caio B. Castro; Licia R. Luz; Jhonyson A. C. Guedes ; Diogo D. Porto; Maria Francilene S. Silva; Gisele S. Silva; Paulo R. V. Ribeiro; Kirley M. Canuto ; Edy S. Brito ; Dávila S. Zampieri; Claúdia Ó. Pessoa; Guilherme J. Zocolo

Chemical identification and determination of the biomarkers associated with the cytotoxic potential of extracts.


Published online: October 10, 2019.

J. Braz. Chem. Soc. 2019

Ab initio Study of 17α-Ethinylestradiol and Estrone Molecules Interacting with Single Wall Carbon Nanotube

Shuanne M. Castro; Herisson C. Ribeiro; Adriana B. Araújo; Silvete Guerini

Band structure and local density of states (LDOS), around the Fermi level, for (8.0) single wall carbon nanotube (SWCNT) plus ethinylestradiol molecule and estrone molecule, in most stable configurations.


Published online: October 10, 2019.

J. Braz. Chem. Soc. 2019

Residue-Based CaO Heterogeneous Catalysts from Crab and Mollusk Shells for FAME Production Via Transesterification

Claudia Cristina Cardoso ; Alexsandro S. Cavalcanti; Ricardo O. Silva; Severino Alves Junior; Fabiana P. de Sousa; Vânya Marcia D. Pasa; Santiago Arias; Jose G. A. Pacheco

Different species of fishery residues present excellent catalytic activities in the synthesis of biodiesel and can represent a technological-socio-environmental solution for the coastal community of the Northeastern of Brazil.


Published online: October 8, 2019.

J. Braz. Chem. Soc. 2019

Ultrasound-Promoted Synthesis, Structural Characterization and in vitro Antimicrobial Activity of New

Danilo Y. de Albuquerque; Andressa C. Damim; Eliandro Faoro; Gleison A. Casagrande; Davi F. Back; Sidnei Moura; Claudio M. P. de Pereira; Kelly M. P. de Oliveira; Lucas Pizzuti

Thirteen new amidino pyrazolines were synthesized under ultrasound in 15-83% yield. Some examples showed promising antibacterial activity.


Published online: October 8, 2019.

J. Braz. Chem. Soc. 2019

Fast and Ecological Liquid-Liquid Separation Method for Preparing Quinones Enriched Extract from Nigella sativa Oil

Klara Urbanova; Pavel Kloucek; Jaroslav Havlik; Irena Valterova; Ladislav Kokoska

A fast, inexpensive, and ecological method for preparation of extract with high content of Nigella sativa quinones.


Published online: October 8, 2019.

J. Braz. Chem. Soc. 2019

The Comparative Investigation of Corrosion and Passivation for X65 Carbon Steel in pH 1 to 5 HNO3 Solutions without and with 0.01 mol L-1 NaNO2

Rongjiao Deng; Pei Zhang; Xiaoying Zhao; Guanyu Cai; Hui Liu; Jinping Xiong ; Yong Zhou

With the addition of 0.01 mol L-1 NaNO2 in pH 1 to 5 HNO3 solutions, the electrochemical behavior of X65 carbon steel transferred from the activation in the solutions free of NaNO2 to the passivation in the solutions containing NaNO2.


Published online: October 7, 2019.

J. Braz. Chem. Soc. 2019

Metabolization of Insecticidal Amides from Leaves of Piper tuberculatum by Heraclydes hectorides and Naupactus bipes

Clécio S. Ramos ; Marcílio W. F. Silva; Marcilio M. Moraes; Argus V. Almeida; Sérgio A. Vanin; Massuo J. Kato

The amides from leaves of Piper tuberculatum are hydrolyzed by the weevil N. bipes and by caterpillars of H. hectorides but not bygeneralist grasshoppers.


Published online: October 7, 2019.

J. Braz. Chem. Soc. 2019

Chemometric Optimization of the Methodology for Determination of Molybdenum in Soils and Plants by Square Wave Adsorptive Stripping Voltammetry

José Ricardo de Carvalho; Efraim Lázaro Reis ; César Reis; Odilaine Inácio C. Damasceno; Antônio Augusto Neves ; Alexsandro Antônio Matias

A voltammetric method was developed based on the adsorption of the complex of molybdenum(VI) with 8-hydroxyquinoline, using square wave cathodic stripping voltammetry. The concentration of the support electrolyte, frequency, amplitude and deposition time were optimized by factorial design in relation to the reduction of molybdenum(VI) current. The results obtained for the determination of MoVI in soils and leaves of vegetables show good agreement.


Published online: October 3, 2019.

J. Braz. Chem. Soc. 2019

New Allyldithiocarbimates: Synthesis, Structure and Antifungal Activity against Phakopsora pachyrhizi and Hemileia vastatrix

Antonio E. C. Vidigal; Mayura M. M. Rubinger; Lucas F. da Silva; Laércio Zambolim; Arthur B. D. Pereira; Silvana Guilardi; Rafael A. C. Souza; Javier Ellena

New tetraphenylphosphonium (Z)-allyldithiocarbimates synthesized inhibit the germination of phytopathogenic fungi.


Published online: October 3, 2019.

J. Braz. Chem. Soc. 2019

Near-Infrared Luminescence from Visible-Light-Sensitized Ruthenium(II)‑Neodymium(III) Heterobimetallic Bridged Complexes Containing Alkoxy(silyl) Functional Groups

Rafael M. Sábio ; Silvia H. Santagneli; Marie Gressier; José M. A. Caiut; Wallance M. Pazin; Robson R. Silva; Sidney J. L. Ribeiro; Marie-Joëlle Menu

The successful fabrication of two silylated ruthenium(II)-neodymium(III) heterobimetallic complexes with excellent photophysical properties allow grafting onto any silicated matrix suggesting their application as new luminescent near infrared (NIR)-emitting biolabels.


Published online: October 1, 2019.

J. Braz. Chem. Soc. 2019

Spatial and Temporal Effects of Decommissioning a Zinc Smelter on the Sediment Quality of an Estuary System: Sepetiba Bay, Rio de Janeiro, Brazil

Rodrigo A. Gonçalves; Douglas F. Oliveira; Carlos Eduardo Rezende; Phelipe Almeida; Luiz D. de Lacerda; Bernardo A. P. da Gama; José Marcus Godoy

Environmental actions, related to the Ingá Mercantil legacy, led to a Zn reduction in surface sediments.


Published online: September 27, 2019.

J. Braz. Chem. Soc. 2019

Geochemical Investigation of Tar Balls Collected in a Brazilian Beach Using Biomarkers, Ni/V, δ13C Ratios and Ultra-High Resolution FT‑ICR Mass Spectrometry

Bárbara D. Lima; Laercio L. Martins; Lívia C. Santos; Eliane S. de Souza; Marcos A. Pudenzi; Heliara L. Nascimento; Marcos N. Eberlin; Georgiana F. da Cruz

Geochemical investigation of tar balls collected in two distinct years (2012 and 2014) in a Brazilian beach using several analytical techniques suggesting that the area is subjected to frequent spill from the same source.


Published online: September 26, 2019.

J. Braz. Chem. Soc. 2019

A Protocol for Fish Lipid Analysis Using Nuclear Magnetic Resonance Spectroscopy

Natalia Cristina Mor; Banny S. B. Correia; Adalberto Luis Val; Ljubica Tasic

An easy-to-follow methodology for fish lipids analysis by nuclear magnetic resonance (NMR) spectroscopy is presented. Biological sample collection, sample preparation, lipid extraction, NMR spectroscopy analysis, statistical data analysis and the care needed in each step execution are explained in detail.


Published online: September 26, 2019.

J. Braz. Chem. Soc. 2019

Potential Slow Release Fertilizers Based on K2MgSiO4 Obtained from Serpentinite

Fabiane C. Ballotin; Wedisson O. Santos; Edson M. Mattiello; Ottávio Carmignano; Ana Paula C. Teixeira; Rochel M. Lago

K2MgSiO4 was produced by impregnation of serpentinite rock with KOH and thermal treatment. New materials released K in a slow rate than KCl, showing potential as slow release K-fertilizers.


Published online: September 25, 2019.

J. Braz. Chem. Soc. 2019

Upconversion 3D Printed Composite with Multifunctional Applications for Tissue Engineering and Photodynamic Therapy

Karina Nigoghossian ; Sybele Saska; Livia M. Christovam; Fernanda Coelho; Cesar Augusto G. Beatrice; Alessandra A. Lucas; Paulo I. Neto; Jorge Vicente L. da Silva; Agnieszka Tercjak ; Maurício S. Baptista; Luiz Henrique Catalani; Raquel M. Scarel-Caminaga; Ticiana S. O. Capote; Sidney José L. Ribeiro

Erythrosine photosensitizer (PS)-containing polycaprolactone (PCL)/upconversion nanoparticles (UCNPs)-apatite composite for biomedical applications in the therapy-stimulated bone repair and photodynamic therapy (PDT).


Published online: September 23, 2019.

J. Braz. Chem. Soc. 2019

A Selective Gas Chromatography-Selected Ion Monitoring Mass Spectrometry (GC‑MS/SIM) Method to Determine Polychlorinated Biphenyls in Fuller's Earth

Melina Espanhol-Soares ; Milady R. A. Silva; Rossano Gimenes; Flávio S. Silva

A methodology was developed for improved separation and detection of polychlorinated biphenyls (PCBs) in Fuller's earth, in a relatively short time, with high chromatographic resolution and selectivity. A total of 83 PCBs could be identified using a single chromatography method.


Published online: September 23, 2019.

J. Braz. Chem. Soc. 2019

TD-DFT Analysis of the Dissymmetry Factor in Camphor

Iran da L. Sousa; Gabriel Heerdt; Valdecir F. Ximenes; Aguinaldo R. de Souza; Nelson H. Morgon

Camphor is a chiral bicyclic ketone that exhibits an exceptionally high anisotropic dissymmetry factor (g-factor). It was observed accordance between the calculated value, at time-dependent density functional theory (TD-DFT) level of theory, and the experimental result, −0.09 and −0.05, respectively. This process is associated with n → π* (highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO)) electronic transition.


Published online: September 20, 2019.

J. Braz. Chem. Soc. 2019

Brazil Nut Oil Extraction Using Subcritical n-Propane: Advantages and Chemical Composition

Ana B. Zanqui ; Cláudia M. da Silva; Jéssica B. Ressutte; Damila R. de Morais; Jandyson M. Santos; Marcos N. Eberlin; Lúcio Cardozo-Filho; Jesuí V. Visentainer; Sandra T. M. Gomes; Makoto Matsushita

Brazil nut samples were subjected to subcritical n-propane extraction using a 23 factorial design and the chemical composition of the oil was determined and compared to the oils obtained by conventional extraction methods.


Published online: September 20, 2019.

J. Braz. Chem. Soc. 2019

Unexpected Rearrangement and Aromatization on Dehydration Reaction of the Bioactive Diterpenequinone 7α-Hydroxyroyleanone

Gilda G. Leitao ; Aline G. L. Pinheiro; Victor L. D. Rezende; Raphael S. F. Silva; Leonardo R. Paula; Deivid C. Soares; Elvira M. Saraiva

7α-Hydroxyroyleanone gave an unexpected product on dehydration reaction. A naphtoquinone was formed as major product along with 6,7-dehydroroyleanone and a complex mixture of compounds. The reaction products were purified by high-speed countercurrent chromatography and tested for their anti-Leishmania activity.


Published online: September 17, 2019.

J. Braz. Chem. Soc. 2019

Synthesis, Characterization and Photocatalytic Activity of Au/SiO2@TiO2 Core-Shell Microspheres

Chengli Yao ; Jinmiao Zhu

Au@SiO2/TiO2 core-shell structure particles were fabricated by ethanol reflux. The particles showed excellent photocatalysis activity for the degradation of methyl orange.


Published online: September 17, 2019.

J. Braz. Chem. Soc. 2019

Study of the Effect of Inhibitors Solutions on the Chemical Composition of Waxes by Rheology Tests and High Resolution Mass Spectrometry

Lindamara M. Souza; Samantha R. C. Silva; Paulo R. Filgueiras; Francine D. dos Santos; Géssica A. Vasconcelos;
Valdemar Lacerda Jr. ; Boniek G. Vaz; Wanderson Romao

Four oils were treated with five inhibitors solutions and evaluated by rheology. These oils were fractionated by the SAP method (saturated, aromatic and polar) and the saturated fraction was analyzed by high resolution mass spectrometry (atmospheric pressure chemical ionization using a positive ionization mode (APCI(+)) Orbitrap) and two-dimensional gas chromatography coupled to quadrupole mass spectrometry (GC x GC-qMS).


Published online: September 17, 2019.

J. Braz. Chem. Soc. 2019

Optimization of New Sample Preparation Technique for the Determination of Methadone and Codeine in Plasma Sample by GC-FID

Lazgin A. Jamil

In this work, the suitability of continuous sample drop flow microextraction gas chromatography-flame ionization detector (CSDF-ME-GC-FID) is studied on the extraction and evaluation of methadone and codeine in plasma sample. This method is simple, fast and consuming low amount of organic solvent. CSDF-ME is performed without hand intervention.


Published online: September 16, 2019.

J. Braz. Chem. Soc. 2019

Biosorption Potential of the Aspergillus sp. and Insights into Secondary Metabolism in the Presence of Copper and Lead

Maurício Augusto P. M. S. Alves; Sebastiao C. Silva; Simone Y. S. Silva; Joao B. Pereira Junior ; Patrícia S. B. Marinho; Kelly das Graças F. Dantas; Silvio Alex P. da Mota; Jessica Cristina Amaral; Maria Fátima das Graças F. da Silva ; Marilene N. Oliveira

Potential for biosorption and evaluation of secondary metabolism profile of Aspergillus sp. in potato dextrose (PD) medium enriched with CuSO4.5H2O and Pb(NO3)2.


Published online: September 11, 2019.

J. Braz. Chem. Soc. 2019

Synthesis of a Ce-Based MOF-76 with High Yield: A Study of Reaction Parameters Based on a Factorial Design

Patricia F. Santos ; Priscilla P. Luz

Pioneer work based on a factorial design to optimize the Ce3+-based metal-organic framework (MOF)-76 synthesis.


Published online: September 9, 2019.

J. Braz. Chem. Soc. 2019

Synthesis of New Phenolic-Schiff Base and Its Application as Antioxidant in Soybean Biodiesel and Corrosion Inhibitor in AISI 1020 Carbon Steel

Lucas F. Martins; Diana C. Cubides-Román; Vivian C. da Silveira; Glória M. F. V. Aquije; Wanderson Romao; Reginaldo B. dos Santos; Alvaro Cunha Neto; Valdemar Lacerda Jr.

Synthesis and application of a new phenolic-Schiff base as antioxidant for biodiesel and corrosion inhibitor for carbon steel.


Published online: September 9, 2019.

J. Braz. Chem. Soc. 2019

Evaluation of α- and β-Endosulfan Residues in Teas and Yerba Mate Infusions by Bar Adsorptive Microextraction and Large Volume Injection-Gas Chromatography Mass Spectrometry

Anaí L. dos Santos; Laiza C. Krause; Jaderson K. Schneider; José M. F. Nogueira; Elina B. Caramao

A bar adsorptive microextraction (BAµE) method followed by large volume injection-gas chromatography coupled to mass spectrometry (LVI-GC-MS) analysis was developed to analyze endosulfan isomers in teas and yerba mate infusions. The method provided selectivity for these pesticides. Limits of detections (LOD), limits of quantification (LOQ) and recoveries were comparable to reported techniques. LOQs were lower than the maximum residue levels (MRLs) established for endosulfan.


Published online: September 4, 2019.

J. Braz. Chem. Soc. 2019

Ruthenium(II)-mercapto Complexes with Anticancer Activity Interact with Topoisomerase IB

Monize M. da Silva; Mariana S. de Camargo; Silvia Castelli; Rone A. de Grandis; Eduardo E. Castellano; Victor M. Deflon; Marcia R. Cominetti; Alessandro Desideri; Alzir A. Batista

Complexes with formula: [Ru(L-L)2(dppb)]PF6, L-L = mercapto-ligands, dppb = 1,4-bis(diphenylphosphino)butane, were synthesized. In vitro cell culture experiments showed cytotoxic activity of the complexes against breast, lung, prostate and liver tumor cells.


Published online: September 3, 2019.

J. Braz. Chem. Soc. 2019

The Updated Brazilian National Air Quality Standards: A Critical Review

Bruno Siciliano; Guilherme Dantas; Cleyton M. da Silva; Graciela Arbilla

Do Brazilian national air quality standards (NAQS) meet the main goal of protecting public health?


Published online: September 3, 2019.

J. Braz. Chem. Soc. 2019

Kinetics of Lumefantrine Thermal Decomposition Employing Isoconversional Models and Artificial Neural Network

Maria B. F. Marques; Bárbara C. R. Araujo; Christian Fernandes; Maria I. Yoshida; Wagner N. Mussel ; Rita C. O. Sebastiao

Kinetics of lumefantrine thermal decomposition described by neural network and isoconversional method.


Published online: September 3, 2019.

J. Braz. Chem. Soc. 2019

Minutifloroside, a New Bis-Iridoid Glucoside with Antifungal and Antioxidant Activities and Other Constituents from Palicourea minutiflora

Vagner M. de Moura; Marcos A. S. Ribeiro; José G. S. Corrêa; Matheus A. Peixoto; Gredson K. Souza; Damila Morais; Patrícia S. Bonfim-Mendonça; Terezinha I. E. Svidzinski; Armando M. Pomini ; Eduardo C. Meurer; Silvana M. O. Santin

A new compound minutifloroside and three known compounds isolated from Palicourea minutiflora.


Published online: September 2, 2019.

J. Braz. Chem. Soc. 2019

Selective Entrapment of Pb2+ from Fresh Thunbergia laurifolia Leaves Extract and Thunbergia laurifolia Tea Extract

Soontorn Suvokhiaw; Anuwut Petdum; Natchawat Faichu; Witawas Handee; Nichanan Thepsuparungsikul; Pattanawit Swanglap; Narong Chimpalee; Nantanit Wanichacheva

Thunbergia laurifolia leaves extracts exhibited good ability to trap Pb2+ in aqueous solution.


Published online: August 30, 2019.

J. Braz. Chem. Soc. 2019

Screening of the Au:Pt Atomic Ratio Supported in SrCO3: Effects in the Performance of the Solvent-Free Oxidation of Benzyl Alcohol

Francisco S. C. L. Batista; Itaciara E. M. S. Melo; Laíse N. S. Pereira; Alexia G. P. Lima; Ali H. Bashal; Jean C. S. Costa; Janildo L. Magalhaes; Francisco C. A. Lima; Carla V. R. Moura; Marco A. S. Garcia; Edmilson M. Moura

Efficient and recyclable AuPt/SrCO3 catalyst for oxidation of benzyl alcohol that maintains its physical-chemical properties after catalytic runs.


Published online: August 30, 2019.

J. Braz. Chem. Soc. 2019

Identifying New Isatin Derivatives with GSK-3β Inhibition Capacity Through Molecular Docking and Bioassays

Karolinni B. Britto; Carla S. Francisco; Débora Ferreira; Bárbara J. P. Borges; Raphael Conti; Demetrius Profeti ;
Ligia R. Rodrigues ; Valdemar Lacerda Jr. ; Pedro A. B. Morais; Warley S. Borges

New isatin derivatives were synthesized and their GSK-3β inhibition abilities were determined.


Published online: August 29, 2019.

J. Braz. Chem. Soc. 2019

Application of a New Validated HPLC-PDA Method for Simultaneous Determination of Curcumin and Melatonin in Hyaluronic Acid-Coated Nanoemulsions

Edna S. Vieira; Elenara Lemos-Senna

A high-performance liquid chromatography (HPLC) method was developed and validated to simultaneously determine curcumin and melatonin in hyaluronic acid-coated nanoemulsions.


Published online: August 28, 2019.

J. Braz. Chem. Soc. 2019

New Detector Based on Composite of Carbon Nanotubes with Nanoparticles of Cobalt Oxide for Carbohydrates Analysis by HPLC with Reverse Pulsed Amperometric Detection

Acelino C. de Sá; Leonardo L. Paim; Nelson R. Stradiotto

The image represents the origin of bagasse of sugarcane, extraction of carbohydrates from bagasse and carbohydrates analysis using the glassy carbon electrode modified with multi-walled carbon nanotubes containing cobalt oxide nanoparticles (GCE/MWCNT/CoOOH) electrode coupled to high-performance liquid chromatography (HPLC) with reverse pulsed amperometric detection for the production of second generation ethanol.


Published online: August 27, 2019.

J. Braz. Chem. Soc. 2019

Determination, through Derivatization and GC-MS Analysis, of Omega-3 and Omega-6 Fatty Acids in Fish Oil Capsules Sold in Salvador, Bahia

Milena S. C. Brotas; Graziele A. Carvalho; Pedro A. P. Pereira

A gas chromatography-mass spectrometry (GC-MS) method was optimized to determine ω-3 and ω-6 fatty acids in supplements of fish oil; concentration values were compared to those informed by manufacturers.


Published online: August 26, 2019.

J. Braz. Chem. Soc. 2019

Chiral Amino and Imino-Alcohols Based on (R)-Limonene

Rodrigo S. Fuscaldo; Eduam O. Boeira; Rafael Stieler; Diogo S. Lüdtke; José R. Gregório

New chiral molecules were prepared with good yields starting from (R)-limonene, a cheap and abundant substrate.


Published online: August 23, 2019.

J. Braz. Chem. Soc. 2019

Chemically Reduced Graphene Oxide on Gold Electrodes from Recordable CDs: Characterization and Potential Sensing Applications

Francisco D. da Silva; Diego P. Rocha; Murilo N. T. Silva; Edson Nossol; Rodrigo A. A. Muñoz ; Felipe S. Semaan; Rafael M. Dornellas

Chemically reduced graphene oxide on Au gold electrodes obtained from recordable CDs as a novel, low-cost and sensitive sensing platform.


Published online: August 21, 2019.

J. Braz. Chem. Soc. 2019

Thermal Infrared Enthalpimetry in Paper Microzone Plates for Green and High Throughput Determination of Wine Acidities

Daniele F. Ferreira; Bruna Tischer; Alexandre J. Cichoski; Cristiano R. Menezes; Roger Wagner; Adilson B. Costa; Juliano S. Barin

Wine samples were added in the hydrophilic microzones of a paper device followed by addition of NaOH solution in stoichiometric excess. An infrared camera was used to record the analytical operations. The neutralization reaction releases heat, and the temperature of solutions rises, and it could be directly related to the wine acidity.


Published online: August 20, 2019.

J. Braz. Chem. Soc. 2019

PMMA-SiO2 Organic-Inorganic Hybrid Coating Application to Ti-6Al-4V Alloy Prepared through the Sol-Gel Method

Joseane A. Santana; Sandra R. Kunst; Cláudia T. Oliveira; Antonio A. Bastos; Mario G. S. Ferreira ; Victor H. V. Sarmento

Hybrid coating application to Ti-6Al-4V alloy prepared through the sol-gel method.


Published online: August 20, 2019.

J. Braz. Chem. Soc. 2019

Structural Study of Phenolic Acids by Triple Quadrupole Mass Spectrometry with Electrospray Ionization in Negative Mode and H/D Isotopic Exchange

Nayane B. M. Sinosaki; Angélica P. P. Tonin; Marcos A. S. Ribeiro; Camila B. Poliseli; Sharise B. Roberto ; Roberta da Silveira; Jesuí V. Visentainer; Oscar O. Santos ; Eduardo C. Meurer

Five phenolic acids were evaluated according to the fragmentation profile by collision-induced dissociation (CID) using triple quadrupole mass spectrometry by electrospray ionization in negative ionic mode (ESI(−)-MS/MS), combined with thermochemical data obtained by computational chemistry and hydrogen by deuterium (H/D) exchange.


Published online: August 20, 2019.

J. Braz. Chem. Soc. 2019

Ethanol Content Determination in Medicine Syrups Using Headspace and Multidimensional Heart-Cut Gas Chromatography Coupled to Mass Spectrometry

Lilian R. Batista ; Nelson R. Antoniosi Filho

Multidimensional gas chromatography method for ethanol monitoring in medicated syrups in order to question quality certificates from regulatory agencies.


Published online: August 15, 2019.

J. Braz. Chem. Soc. 2019

Experimental and Theoretical Study of LiMn2O4 Synthesized by the Solution Combustion Method Using Corn Starch as Fuel

José M. Siqueira Jr ; Carolina T. Machado; Daniel S. G. Quattrociocchi; Francisco M. S. Garrido; Leonardo M. da Costa; Eduardo A. Ponzio; Glaucio B. Ferreira ; Jackson A. L. C. Resende

LiMn2O4 was synthesized by the solution combustion method using corn starch as fuel with temperature below 700 °C. This synthesis is ecofriendly and has a lower cost than the standard methods. The influence of the Li+ cations amount on the MnO2 oxide structural and electronic properties was also evaluated by the density functional theory (DFT) method.


Published online: August 14, 2019.

J. Braz. Chem. Soc. 2019

Evaluation of a Graphite-Polyurethane Composite Electrode Modified with Copper Nanoparticles as an Amperometric Flow Detector in a Wall-Jet System for the Determination of Cysteine

Isabela A. Mattioli; Letícia F. L. Schildt; Priscila Cervini; Thalita R. Saciloto; Éder T. G. Cavalheiro

Cysteine (Cys) does not present voltammetric response at bare graphite-polyurethane composite electrode (GPUE) or even at non-treated GPUE containing electrodeposited copper nanoparticles (CuNP). When GPUE-CuNP is electrochemically pretreated in basic medium the Cys response can be observed based on its interaction with Cu oxides at electrode surface allowing analytical applications in an amperometric wall-jet procedure.


Published online: August 12, 2019.

J. Braz. Chem. Soc. 2019

Aromatic Polyketides and Macrolides from Microsphaeropsis arundinis

Weslei Bruno Botero; Marcelo R. de Amorim; Iracilda Z. Carlos; Marisa C. Polesi; Lourdes C. dos Santos

A novel aromatic polyketide isolated from Microsphaeropsis arundinis.


Published online: August 9, 2019.

J. Braz. Chem. Soc. 2019

Pumilacidins A-E from Sediment-Derived Bacterium Bacillus sp. 4040 and Their Antimicrobial Activity Evaluation

Josiane A. M. de Oliveira; David E. Williams; Raymond J. Andersen; Maria H. Sarragiotto; Debora C. Baldoqui

A series of pumilacidins were isolated from the solid culture of the marine-derived bacterium Bacillus sp. 4040. The structures were determined using a combination of mass spectrometry, nuclear magnetic resonance (NMR) spectroscopy and comparison with reported data.


Published online: August 9, 2019.

J. Braz. Chem. Soc. 2019

Integrative Approach Based on Simplex-Centroid Design, ESI-MS and Chemometric Analysis for Comprehensive Characterization of Phenolic Compounds from Endopleura uchi Bark

Lílian M. Bastos ; Felipe M. A. da Silva ; Leonard R. S. de Souza; Ingrity S. C. Sá; Rochelly S. Mesquita; Afonso D. L. de Souza; Rita de Cássia S. Nunomura

The integrative approach based on simplex-centroid design, electrospray ionization mass spectrometry (ESI-MS), and multivariate analysis provided an effective way to assess the phenolic composition of Endopleura uchi bark.


Published online: August 7, 2019.

J. Braz. Chem. Soc. 2019

Characterizing the Chemical Composition of Lipophilic Extracts from Acacia mearnsii Wood

Gliciane R. A. Oliveira; Fábio S. Grasel ; Gevany P. de Pinho; Flaviano O. Silvério

The constituents that can generate the pitch are in smaller quantities in the extracts of Acacia mearnsii wood in relation to the eucalyptus wood.


Published online: August 7, 2019.

J. Braz. Chem. Soc. 2019

GC-MS-Based Metabolomic Profiles Combined with Chemometric Tools and Cytotoxic Activities of Non-Polar Leaf Extracts of Spondias Mombin L. and Spondias Tuberosa Arr. Cam.

Jhonyson A. C. Guedes ; Elenilson G. Alves Filho ; Maria F. S. Silva; Tigressa H. S. Rodrigues; Christiane M. C. Ramires; Maria A. C. Lima; Gisele S. Silva; Cláudia O. Pessoa; Kirley M. Canuto; Edy S. Brito; Ricardo E. Alves; Ronaldo F. Nascimento; Guilherme J. Zocolo

Analytical procedures, from the collection of samples to the correlation of chemical identification with biological activity.


Published online: August 6, 2019.

J. Braz. Chem. Soc. 2019

Preparation and Delayed Release Study on Pancreatin Encapsulated into Alginate, Carrageenan and Pectin Hydrogels

Fernanda M. P. Olímpio; Adriano A. Mendes; Marcello G. Trevisan ; Jerusa S. Garcia

Three hydrogels were prepared and applied in pancreatin encapsulation. Alginate hydrogel presented better encapsulation efficiency and enzyme release representing as an alternative to replace the commercial formulation.


Published online: August 6, 2019.

J. Braz. Chem. Soc. 2019

Mathematical Modeling of the Transesterification Reaction by Finite Elements: Optimization of Kinetic Parameters Using the Simplex Sequential Method

Diego Galvan; Letícia Thaís Chendynski; Ana Carolina G. Mantovani; Marintho B. Quadri; Mário Killner; Hágata Cremasco; Dionisio Borsato

The transesterification reaction of soybean oil was modeled considering the 3 steps of the direct and reverse reactions following a second order general kinetics by the finite element method.


Published online: July 31, 2019.

J. Braz. Chem. Soc. 2019

A Highly Selective Colorimetric Sensor for Cysteine Detection

Mengjiao Peng ; Hui Wang; Gregory L. Gibson; Hua Shang; Jianmin Yang; Yan Chen; Yin Lu

Cysteine (Cys) can release CuII ion from the non-fluorescent a-CuII complex. Then hydrolytic cleavage of Schiff base (E)-2-(6-(diethylamino)-2-((2-hydroxyphenylimino)methyl)-3-oxo-3H-xanthen-9-yl)benzoic acid (a) produces a pink fluorescent compound 2-(6-(diethylamino)-2-formyl-3-oxo-3H-xanthen-9-yl)benzoic acid (2). Thus, Cys residues act as a “switch” in an off-on fluorescence system.


Published online: July 30, 2019.

J. Braz. Chem. Soc. 2019

Quantification of Glyphosate and AMPA by HPLC-ICP-MS/MS and HPLC-DAD: A Comparative Study

Emanuella M. Pimenta; Fabio F. da Silva; Érica S. Barbosa; Ane P. Cacique; Douglas L. Cassimiro; Gevany P. de Pinho; Flaviano O. Silvério

The image represents the parameters in which high performance liquid chromatography using inductively coupled plasma with triple quadrupole mass spectrometer (HPLC-ICP-MS/MS) was superior to high performance liquid chromatography with diode array detector (HPLC-DAD) in determining glyphosate and aminomethylphosphonic acid (AMPA).


Published online: July 29, 2019.

J. Braz. Chem. Soc. 2019

A New Strategy for the Synthesis of Nonsymmetrical 3,3'-(Aryl/alkyl- methylene) bis-2-hydroxy-1,4-naphthoquinones and Their Cytotoxic Effects in PC3 Prostate Cancer Cells

Ruan Carlos B. Ribeiro; Paula Priscilla de Freitas; Caroline S. Moreira; Leonardo G. C. de Moraes; Matheus G. de Moraes; Fernando de C. da Silva ; David R. Rocha; Etel R. P. Gimba; Vitor F. Ferreira

A novel method for the synthesis of nonsymmetrical 3,3'-(aryl/alkyl-methylene)bis-2-hydroxy-1,4-naphthoquinones was developed by using the Mannich adduct of naphthoquinone and the reaction with another moiety of 2-hydroxy-1,4-naphthoquinone.


Published online: July 24, 2019.

J. Braz. Chem. Soc. 2019

Synthesis and Evaluation of Fenofibric Acid Ester Derivatives: Studies of Different Formulation with Their Bioavailability and Absorption Conditions

Zhixiang Lv; Zhou Wang; Fuyan Xiao; Guofan Jin

A series of fenofibric acid ester pro-drugs were synthesized. The oral administration (20 mg kg-1) of JF-2 showed a relative bioavailability of approximately 272.8% compared to fenofibrate.


Published online: July 23, 2019.

J. Braz. Chem. Soc. 2019

Sustainability of Biorefinery Processes Based on Baru Biomass Waste

Magale K. D. Rambo ; Michele C. D. Rambo; Polyana M. Melo; Nayra Morgana L. de Oliveira; Yara K. S. Nemet; Elisandra Scapin; Guenther C. C. Viana; Daniel A. Bertuol

Brazilian Cerrado biomass waste was evaluated as potential raw-material for biofuel and bioproduct production in biorefineries.


Published online: July 23, 2019.

J. Braz. Chem. Soc. 2019

Development and Validation of a UPLC-ESI-MS Method for Quantitation of the Anti-Alzheimer Drug Galantamine and other Amaryllidaceae Alkaloids in Plants

José R. de Paiva; Ana S. Q. Souza; Rita de C. A. Pereira; Paulo R. V. Ribeiro; Guilherme J. Zocolo; Edy S. de Brito; Otília D. L. Pessoa; Kirley M. Canuto

Ultra-performance liquid chromatography coupled to mass spectrometry (UPLC-ESI-MS) method for quantitation of Amaryllidaceae alkaloids.


Published online: July 16, 2019.

J. Braz. Chem. Soc. 2019

An Acetal Acylation Methodology for Producing Diversity of Trihalomethyl- 1,3‑dielectrophiles and 1,2-Azole Derivatives

Valéria D. O. Bareño; Daiane S. Santos; Leandro M. Frigo; Debora L. de Mello; Juliana L. Malavolta; Rogerio F. Blanco; Lucas Pizzuti; Darlene C. Flores; Alex F. C. Flores

The goal is to demonstrate the scope of the practical acetal acetylation methodology for synthesis of trihalomethyl substituted 1,3-dielectrophiles and their versatility in the preparation of 1,2-azoles.


Published online: July 15, 2019.

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