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Vol. 30, No. 11, November, 2019

ISSN 0103-5053JBCSJournal of the Brazilian Chemical Society

Special Issue Brazilian Women in Chemistry (divided in three issues 30-10, 30-11 and 30-12).

Promoting the inclusion of women and girls implies to create opportunities for intellectual growth and to fight inequalities in access to skills, health, education, protection, profession, and well-being. In this context, it is stimulating to follow the promising worldwide progress towards the implementation of the 2030 United Nations’ Agenda for Sustainable Development, which includes the achievement of gender equality and empowerment of all women and girls as a goal. The commitment of world leaders to this Agenda has given rise to several cheering initiatives, although there is still a long way to go before we genuinely approach sustainable development through the necessary combination of economic growth, social inclusion, and environmental protection.

To add to these efforts and mark the 30th anniversary of its first launching in 1990, the Journal of the Brazilian Chemical Society now publishes a special volume to honor the work of distinguished Brazilian Women in Chemistry. It contains original contributions in all aspects of Chemistry within the scope of the JBCS, submitted by women research leaders who illustrate and represent the quality of the current Brazilian chemical science. Given the enthusiastic welcome given by the community to this idea, reflected in the high number of submissions received for this special volume, the original proposal to release it in just one issue has been expanded to three. As part of this successful initiative of the Brazilian Chemical Society, the Editorial Board of the JBCS thanks all authors for considering our invitation and joining us on this special anniversary celebration.

J. Braz. Chem. Soc.vi

2259 Vibrational Spectroscopy and Chemometrics in Forensic Chemistry: Critical Review, Current Trends and ChallengesCarolina S. Silva, André Braz and Maria Fernanda Pimentel

Graphical AbstractThe symbiotic relation between vibrational spectroscopy and

chemometrics in forensic chemistry contexts.

2299 Antimicrobial Effects of Silver(I) and Bismuth(III) Complexes with Secnidazole‑Derived Schiff Base Ligands: the Role of the Nitro Group ReductionAna P. A. Oliveira, João F. G. Ferreira, Luiz M. Farias, Paula P. Magalhães, Leticia R. Teixeira and Heloisa Beraldo

Graphical AbstractSilver(I) and bismuth(III) complexes with secnidazole-derived ligands

show anti anaerobic bacteria activity. Silver(I) complexes exhibit antifungal effects.

2243 Raman Imaging Spectroscopy: History, Fundamentals and Current Scenario of the TechniqueHery Mitsutake, Ronei J. Poppi and Márcia C. Breitkreitz

Graphical AbstractRepresentation of a Raman imaging experiment: the spectral array of

data and the univariate/multivariate data treatment for the generation of chemical images.

Articles2291 Comparison of Volatile Profile and Antioxidant Activity of

Piper divaricatum G. Meyer (Piperaceae) Using Cuttings and Cell Tissue Rosana Corpes, Lidiene Monteiro, Eloísa H. Andrade, José G. Maia, Ilmarina Menezes, William N. Setzer, Alessandra R. Ramos and Joyce K. R. da Silva

Graphical AbstractPiper divaricatum plants propagated by cuttings and cell tissue had the same volatile profile, phenolic content and similar antioxidant activity.

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Reviews

viiVol. 30, No. 11, 2019

2318 Modification of Chitosan by Zincke Reaction: Synthesis of a Novel Polycationic Chitosan‑Pyridinium DerivativeFernanda J. Gonçalves and Rossimiriam P. Freitas

Graphical AbstractChitosan was modified by converting its amino group at C-2 into a

pyridinium ring, for the first time, via Zincke reaction.

2324 SBSE(EG‑Silicone)‑UFLC‑MS/MS and HPLC‑Flu Analysis of Norharman in Passiflora edulis RindsVítor F. Freire, Renata Colombo and Janete H. Yariwake

Graphical AbstractNorharman was identified and quantified in Passiflora edulis rinds by

ultra-fast liquid chromatography coupled to tandem mass spectrometry (UFLC-MS/MS) and a stir bar sorptive extraction with a copolymer of

polydimethylsiloxane and polyethylene glycol as stationary phase and high performance liquid chromatography with fluorescence detection

(SBSE(EG-Silicone)-HPLC-Flu) method.

2308 On‑Flow Ligand Screening Assay Based on Immobilized Nucleoside Diphosphate Kinase B from Homo sapiensJuliana M. Lima, Claudia Seidl, Elise M. F. Cunha, Arthur H. C. Oliveira and Carmen L. Cardoso

Graphical AbstractTwo-dimensional on-flow zonal affinity-based chromatography assay for

nucleoside diphosphate kinase B.

2334 Halogen Determination in Polymeric Waste of Electrical and Electronic Equipment: Overcoming Limitations in Sample PreparationJussiane S. Silva, Gabrielle D. Iop, Rodrigo M. Pereira, Marcia F. Mesko, Lisarb O. Diehl, Erico M. M. Flores and Paola A. Mello

Graphical AbstractA critical evaluation of digestion methods for polymeric parts of waste

of electrical and electronic equipment was carried out for further determination of halogens.

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J. Braz. Chem. Soc.viii

2355 Use of Carbon Dots Synthesized from Citrate as a Fluorescent Probe for Quercetin Determination in Tea and Beer SamplesNattany T. G. de Paula, Raquel Milani, André F. Lavorante and Ana Paula S. Paim

Graphical AbstractCarbon dots (CDs) were prepared by a one-step hydrothermal method

and were employed for determination of quercetin in teas and beers. The fluorescence quenching of CDs was proportional to the concentration of

quercetin.

2367 Experimental and Computational Studies of the Adsorption of Furan, Pyrrole, and Thiophene on Hydroxyapatites in a Single and Ternary ComponentMayara S. Oliveira, Stefane N. Costa, Norberto K. V. Monteiro, Pedro L. Neto, Guilherme A. Magalhães Junior, Izaura C. N. Diógenes, Rinaldo S. Araújo and Elisane Longhinotti

Graphical AbstractMonte Carlo simulation explains adsorption of furan, pyrrole, and

thiophene on hydroxyapatite.

2344 A New Electrochemical Platform Based on a Polyurethane Composite Electrode Modified with Magnetic Nanoparticles Coated with Molecularly Imprinted Polymer for the Determination of Estradiol Valerate in Different MatricesBruna Bergamin, Rafael R. Pupin, Ademar Wong and Maria D. P. T. Sotomayor

Graphical AbstractDevelopment of electrochemical sensor using magnetic nanoparticles

coated with molecularly imprinted polymer (MIP) for selective and sensible detection of estradiol valerate in different matrices.

2376 A Sustainable Methodology to Extract Bismuth from Secondary SourcesMaria C. Hespanhol, Pamela R. Patrício, Luis H. M. da Silva, Silvia J. R. Vargas, Teresa C. S. Rezende and Raquel A. Campos

Graphical AbstractGreen recovery of bismuth from fusible plugs of gas cylinders was

performed with three consecutive extractions using L35 + NH4NO3 + H2O aqueous two-phase system, without any extractant. Bismuth was

obtained with high purity (94.7%), resulting in the recovery of the 38.5 g of bismuth per 1.00 kg of fusible plug.

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ixVol. 30, No. 11, 2019

2395 Development of an Analytical Method for the Determination of Metals in Chicken Breast by Microwave Induced Plasma Optical Emission Spectrometry (MIP‑OES)Ane Martiele T. P. Pinto, Ana Carla S. Boeira, Meibel T. Lisboa, Aline L. Medina, Anderson S. Ribeiro

and Mariana A. Vieira

Graphical AbstractThe concentrations of Al, Ca, Cd, Cr, Cu, Fe, Hg, K, Mg, Na and Zn in

chicken breast samples were determined by microwave induced plasma optical emission spectrometry (MIP-OES).

2404 Essential Oils from Croton Species: Chemical Composition, in vitro and in silico Antileishmanial Evaluation, Antioxidant and Cytotoxicity ActivitiesSelene M. Morais, Danyelle S. Cossolosso, Antonio A. S. Silva, Manoel O. de Moraes Filho, Maria J. Teixeira, Claudio C. Campello, Oriel H. Bonilla, Valdir F. de Paula Júnior and Nadja S. Vila-Nova

Graphical AbstractAntileishmanial Croton species and main compounds (1,8-cineole and spathulenol) showed high affinity for the catalytic site of the enzyme

Leishmania infantum trypanothione reductase.

2386 Effect of the Incorporation of Sugarcane Bagasse Biochar in Leaching and Bioavailability of Clomazone in SoilMarcos R. F. da Silva, Maria E. L. R. de Queiroz, Antônio A. Neves, Antônio A. da Silva, André F. de Oliveira, Renan L. de Oliveira, Mariane M. Azevedo and Gustavo A. M. Pereira

Graphical AbstractClomazone exhibits leaching potential and could contaminate deep layers

of soil profile and groundwater. Leaching of the herbicide was evaluated in authentic soil and in soil that received incorporation of biochar.

The percolation of clomazone through the soil layers was evaluated by a validated chromatographic method and its bioavailability by a

greenhouse assay.

2413 New Metal‑Organic Systems with a Functionalized Oxamate‑Type Ligand and MnII, FeII, CuII and ZnII

Jhonny W. Maciel, Lucas H. G. Kalinke, Ana K. Valdo, Felipe T. Martins, Renato Rabelo, Nicolás Moliner, Joan Cano, Miguel Julve, Francesc Lloret and Danielle Cangussu

Graphical AbstractThe synthesis and characterization of the compounds

[Fe(H2pcpa)2(H2O)2] (1), {[Mn(Hpcpa)(H2O)3]•1/2H2O}n (2), {[Zn(Hpcpa)(H2O)3]•1/2H2O}n (3) and [Cu2(Hpcpa)2(bipy)2]•8H2O (4) [H3pcpa = N-(4-carboxyphenyl)oxamic acid; bipy = 2,2′-bipyridine]

together with the magnetic study of 1, 2 and 4.

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J. Braz. Chem. Soc.x

2438 Medicinal Electrochemistry of Halogenated and Nitrated PterocarpanquinonesThaissa L. Silva, Julio C. S. da Silva, Dimas J. P. Lima, Fabricia R. Ferreira, Camila C. de Vasconcelos, Danyelle C. Santos, Chaquip D. Netto, Paulo R. R. Costa and Marília O. F. Goulart

Graphical AbstractElectrochemical data were obtained, in aprotic media, regarding reduction mechanism, reactivity with oxygen and analysis of the

electrogenerated intermediates. Together with computational studies, data were useful in explaining the reactivity/biological activity of

halogenated and nitrated pterocarpanquinones.

2464 New Limonoids from Dictyoloma vandellianum and Sohnreyia excelsa: Chemosystematic ConsiderationsClaudenice F. P. Sartor, Maria da Paz Lima, M. Fátima G. F. da Silva, João B. Fernandes, Moacir R. Forim and José R. Pirani

Graphical AbstractD. vandellianum afforded the new rearranged limonoid

dictyolomin (1); S. excelsa the new cycloheptanyl ring C with carbonate, sohnreyolide (2).

2452 A Self‑Assembled AMF‑Responsive Nanoplatform Based on Pillar[5]arene and Superparamagnetic Nanoparticles for Controlled Release of DoxorubicinTamires S. Fernandes, Evelyn C. S. Santos, Vinicius G. C. Madriaga, Isabela A. A. Bessa, Vanessa Nascimento, Flávio Garcia and Célia M. Ronconi

Graphical AbstractSuperparamagnetic nanoparticles functionalized with

carboxylate-substituted pillar[5]arenes for chemo-hyperthermia therapy have been developed.

2430 Effects of Light Quality and Chemical Elicitors on the Growth Parameters and Rosmarinic Acid Content of in vitro Cultures of Hyptis pectinata (L.) Poit.Rita C. N. Pedroso, Leticia. P. Pimenta, Marcos G. Tozatti, Núbia A. A. Branquinho, Alessandra C. B. A. M. Hara, Fernando H. L. Silva, Alan C. Costa, Fabiano G. Silva, Carlos E. S. Miranda, Marcio L. A. Silva, Wilson R. Cunha, Patricia M. Pauletti and Ana. H. Januario

Graphical AbstractThe influence of light quality and the chemical elicitors salicylic acid and

silver nitrate on the rosmarinic acid content and growth parameters of Hyptis pectinata.

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xiVol. 30, No. 11, 2019

2488 Surface Silanization of Graphene Oxide Under Mild Reaction ConditionsTiago Serodre, Norma A. P. Oliveira, Douglas R. Miquita, Max P. Ferreira, Adelina P. Santos, Valdirene G. Resende and Clascídia A. Furtado

Graphical AbstractGraphene oxide was silanized with (3-aminopropyl) triethoxysilane (APTES) using mild conditions. The resulting material was surface-

modified, with the inclusion of amine and silanol groups.

2477 Improved Functionalization of Multiwalled Carbon Nanotubes in Ultra‑Low Acid Volume: Effect of Solid/Liquid InterfaceVinícius G. Castro, Ingrid B. Costa, Felipe S. Medeiros, Éder J. Siqueira, Alexander H. Kasama, Kátia C. S. Figueiredo, Rodrigo L. Lavall and Glaura G. Silva

Graphical AbstractFunctionalization of multiwalled carbon nanotubes (MWCNTs) with better

structural quality was achieved by means of a more environmentally friendly process. Ultrasonic cavitation in lower liquid volume provided an enhanced preservation of MWCNT aspect ratio without compromising the

functionalization extent.

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