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Vol. 30, No. 10, October, 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.

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Editorial

Reviews2000 DNA Damage by Endogenous and Exogenous Aldehydes

Marisa H. G. Medeiros

Graphical AbstractFormation and biological effects of deoxyribonucleic acid (DNA) adducts

from endogenous and exogenous aldehydes.

2010 M a g n e t o - R e s p o n s ive H y d ro g e l s : P re p a r a t i o n , Characterization, Biotechnological and Environmental ApplicationsEmilli C. G. Frachini and Denise F. S. Petri

Graphical AbstractMagneto-responsive hydrogels are important platforms for biomedical

applications, such as drug delivery, tissue engineering and cancer therapy, and for environmental applications.

2029 Aspergillus niger: A Hundred Years of Contribution to the Natural Products ChemistryMary Anne S. Lima, Maria da Conceição F. de Oliveira, Antônia T. Á. Pimenta and Paula K. S. Uchôa

Graphical AbstractThis review celebrates the centenary of chemical investigations on

Aspergillus niger. Structurally diverse secondary metabolites produced by this fungus, besides its potential on selective biotransformation of

terpenes, are presented.

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1999 For Gender Equality in ScienceMaria D. Vargas and Jaísa F. Soares

viiVol. 30, No. 10, 2019

2066 Gold Nanoparticles and [PEDOT-Poly(D,L-Lactic Acid)] Composite: Synthesis, Characterization and Application to H2O2 SensingAruã C. da Silva, Marco A. O. S. Minadeo and Susana I. C. de Torresi

Graphical AbstractSynthesis of Au nanoparticles with poly(3,4-ethylenedioxythiophene)-

poly(D,L-lactic acid) (PEDOT-PDLLA) composite was demonstrated, easily immobilizing films with conductive and biocompatible properties used as

biointerface.

2076 Electrode Modified with the Ionic Liquid [P6,6,6,14+]2[MnCl4

2–] for the Determination of Bisphenol A in Plastic SamplesTânia Regina Silva, Josias Merib, Daniel A. Spudeit, Eduardo Carasek and Iolanda C. Vieira

Graphical AbstractSimple and fast electrode for determination of bisphenol A in plastic

samples using a carbon paste electrode modified with ionic liquid.

2060 A New Cytotoxic Naphthoquinone and Other Chemical Constituents of Sinningia reitzii Adson S. Silva, Magali S. Amorim, Mariana M. Fonseca, Marcos J. Salvador, Eduardo L. de Sá and Maria Élida A. Stefanello

Graphical AbstractThree new naphthoquinones, including one with cytotoxic activity, were

isolated from the tubers of Sinningia reitzii.

2085 Integrated Chemometric Approach to Optimize Sample Preparation for Detecting Metabolic Changes Provoked by Abiotic Stress in Coffea arabica L. Leaf FingerprintsGustavo G. Marcheafave, Cláudia D. Tormena, Sabrina Afonso, Miroslava Rakocevic, Roy E. Bruns and Ieda S. Scarminio

Graphical AbstractFingerprinting provides an indication of the changes in regulatory

metabolites in leaves provoked by water-deficit stress by means of an integrated chemometric approach. Fermentation, nutritional deficiencies,

senescence and abscission were prevalent in unirrigated plants.

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Articles

J. Braz. Chem. Soc.viii

2105 Direct Assay to Evaluate Phosphoenolpyruvate Carboxykinase ActivityBruno S. do Amaral, Katia Celina S. Correa, Arlene G. Corrêa, Dulce H. F. de Souza and Quezia B. Cass

Graphical AbstractA typical direct assay for phosphoenolpyruvate carboxykinase by

liquid chromatography-tandem mass spectrometry (LC-MS/MS) with phosphoenolpyruvate detection.

2114 Are Imidazoles Versatile or Promiscuous in Reactions With Organophosphates? Insights From the Case of Parathion Valmir B. Silva and Elisa S. Orth

Graphical AbstractImidazole reacts differently with various organophosphates, including an

unusual N-alkylation. This promiscuity boosts the versatility of imidazoles.

2095 Iridium-Based Catalysts for the Ethanol Electrooxidation in Acidic MediaFabiano R. P. da Silva, Luiz C. Silva-Junior, Giuseppe A. Camara and Martha Janete Giz

Graphical AbstractIrRh surfaces are selective to CO2 production (from ethanol), while IrRhSn promotes the occurrence of a dual oxidation pathway that also generates

acetic acid.

2125 Tianeptine Esters Derivatives: A Study of Protein-Drug Interaction Performed by Fluorescence Quenching and Molecular DockingFranciela A. Soares, Marco A. Ceschi, Daniel B. Franceschini, Vanessa P. do Canto, Paulo A. Netz and Leandra F. Campo

Graphical AbstractThe antidepressant tianeptine and its esters induce the fluorescence

quenching of BSA due to the proximity to Trp134 and Trp213 amino acids as revealed by molecular modeling.

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ixVol. 30, No. 10, 2019

2144 Oxone ®-Promoted One-Pot Synthesis of 1-Aryl-4-(organylselanyl)-1H-pyrazolesRaquel G. Jacob, Daniela H. de Oliveira, Thiago J. Peglow, José E. R. Nascimento and Ricardo H. Bartz

Graphical AbstractThe one-pot synthesis of 4-organylselanylpyrazoles from 1,3-diketones,

hydrazines and diaryl diselenides using Oxone® was developed.

2153 Linear Peptide Analogues from Jatropha’s Orbitides Promote Migration of Human Neonatal Foreskin Fibroblasts in vitro and Collagen DepositionSuelem D. Ramalho, Meri Emili F. Pinto, Renata K. Andricopulo,

Paulo R. S. Sanches, Edilberto R. Silveira, Eduardo M. Cilli, Adriano D. Andricopulo and Vanderlan S. Bolzani

Graphical AbstractLinear pohlianin B and linear ribifolin are peptide analogues originally

designed from natural orbitides. The promising results demonstrated that they have the potential to induce neonatal human foreskin fibroblast

migration and collagen deposition.

2136 Determination of Amino Acids in Plasma Samples of Preeclampsia Patients by Liquid Chromatography Coupled to High-Resolution Mass SpectrometryEliane do Nascimento, Helvécio C. Menezes, Rodrigo R. Resende,

Vânia A. M. Goulart and Zenilda L. Cardeal

Graphical AbstractThe analysis of plasma samples from pregnant women with preeclampsia

and healthy pregnancies by liquid chromatography coupled to high-resolution mass spectrometry shows that there are significant

differences between samples in the levels of some free amino acids.

2162 Gold Catalysis for Selective Hydrogenation of Aldehydes and Valorization of Bio-Based Chemical Building BlocksRerison J. M. Silva, Jhonatan L. Fiorio, Pedro Vidinha and Liane M. Rossi

Graphical AbstractGold catalysts activated by Lewis bases are highly selective for

the hydrogenation of bio-derived aldehydes into alcohols, such as 2,5-dihydroxymethylfuran (DHMF).

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2182 Catalytic Transformation Conditions of Ethanol on Dealuminated BEA ZeolitesMaria Clara H. Clemente, Deborah S. Valadares, André B. Lacava, Lais S. Barbosa, Gesley A. V. Martins, José A. Dias and Sílvia C. L. Dias

Graphical AbstractThe image is a representation of porous of BEA zeolite after reaction with

ammonium hexafluorosilicate (AHFS), showing the formation of bigger extra-framework aluminum (EFAL) species without washing, and the

respective washing procedure, as well as product selectivity depending on weight hourly space velocity (WHSV).

2199 Thermal Stability and Kinetic of Decomposition of Mono- and Dicationic Imidazolium-Based Ionic LiquidsCaroline R. Bender, Bruna L. Kuhn, Carla A. A. Farias, Francieli I. Ziembowicz, Thaíssa S. Beck and Clarissa P. Frizzo

Graphical AbstractPhase transitions, thermal stability, kinetics, and activation parameters

of degradation of imidazolium-based ionic liquids were evaluated.

2191 Chlorine and Fluorine Determination in Eye-Pencil: Development of an Eco-Friendly Sample Preparation Method for Ion Chromatography AnalysisMarcia F. Mesko, Vanize C. Costa, Rodrigo M. Pereira and Carla A. Hartwig

Graphical AbstractAn eco-friendly method was developed for chlorine and fluorine

determination in eye-pencil, combining microwave-induced combustion (MIC) for sample preparation with ion chromatography (IC) for the

element determination.

2170 Degradation of Acid Red 8 Dye Using Photo-Fenton Reaction Mediated by Titanium Modified CatalystsAndré C. Bento, Elissandro S. Emídio, Peter Hammer and Raquel F. P. Nogueira

Graphical AbstractDye degradation mediated by titanium free catalyst occurs mostly in

homogeneous phase while with molar ratio Ti/Fe = 0.4 heterogeneous process is predominant at pH 5.6.

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2219 Compatibility of GROMOS-Derived Atomic Parameters for Lipopolysaccharide Membranes with the SPC/E Water Model and Alternative Long-Range Electrostatic Treatments Using Single Nonbonded Cutoff and Atom-Based Charge SchemesManoela P. M. Lima, Manuela Nader, Denys E. S. Santos and Thereza A. Soares

Graphical AbstractThe effect of water models, long-range electrostatics treatment and

charge cutoff schemes on atomistic molecular dynamics (MD) simulations of bacterial outer membranes with the GROMOS force field.

2210 Facile One-Step Electrodeposition Fabrication of Amorphous MoS2 Catalysts in Titanium for Hydrogen Evolution ReactionMarina Medina, Patricia G. Corradini and Lucia H. Mascaro

Graphical AbstractFor Ti substrate the electron transfer rate is very fast, which should be

responsible for the high activity of the catalyst. Hydrogen evolution reaction is more favorable on Ti/MoS2 than fluorine-tin doped oxide

(FTO)/MoS2 decreasing the overpotential and Tafel slope.

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2231 Physicochemical Study of the Interaction between Gold Nanoparticles and Lipase from Candida sp. (CALB): Insights into the Nano-Bio InterfaceHeloise R. de Barros, Mary C. Santos, Leandro R. S. Barbosa, Leandro Piovan and Izabel C. Riegel-Vidotti

Graphical AbstractThe interaction between lipase from Candida sp. and gold nanoparticles

was fully investigated at different length scales revealing important information about the nano-bio interface of this bio-conjugate, as seen

by transmission electron microscopy (TEM) images.

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