JBCS

13:24, Fri Oct 19

Open Access/APCs

vol. 29, No. 3, 2018, p. 435-669

 

This paper reports the use of chemometric techniques employed for discrimination of cancer samples based on mass spectra data sets. The artwork shows a representative mass spectrum with colors referring to two different classes and a scatter plot showing its discrimination in a three-dimensional aspect. In the background, a DNA molecule due to its importance for cancer differentiation. Details are presented in the Article Principal Component Analysis with Linear and Quadratic Discriminant Analysis for Identification of Cancer Samples Based on Mass Spectrometry by Camilo L. M. Morais and Kássio M. G. Lima on page 472.


Cover Article
J. Braz. Chem. Soc. 2018, 29(3), 472-481

Principal Component Analysis with Linear and Quadratic Discriminant Analysis for Identification of Cancer Samples Based on Mass Spectrometry

Camilo L. M. Morais; Kássio M. G. Lima

How to cite this article

This paper reports the use of chemometric techniques employed for discrimination of cancer samples based on mass spectra data sets. The artwork shows a representative mass spectrum with colors referring to two different classes and a scatter plot showing its discrimination in a three-dimensional aspect. In the background, a DNA molecule due to its importance for cancer differentiation. Details are presented in the Article Principal Component Analysis with Linear and Quadratic Discriminant Analysis for Identification of Cancer Samples Based on Mass Spectrometry by Camilo L. M. Morais and Kássio M. G. Lima on page 472.

http://dx.doi.org/10.21577/0103-5053.20170159

Published online: September 5, 2017

Review J. Braz. Chem. Soc. 2018, 29(3), 435-456

1,2,4- and 1,3,4-Oxadiazoles as Scaffolds in the Development of Antiparasitic Agents

Paulo Pitasse-Santos; Vitor Sueth-Santiago; Marco E. F. Lima

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This review focuses on the importance of 1,2,4- and 1,3,4-oxadiazole cores in the design of new antiparasitic drugs. Here are highlighted the synthetic methodologies for their preparation as well as physicochemical differences between the isomers and their binding properties with biological receptors.

http://dx.doi.org/10.21577/0103-5053.20170208

Published online: November 23, 2017

Articles J. Braz. Chem. Soc. 2018, 29(3), 457-462

A Novel Nanofibrous Film Chemosensor for Detecting and Adsorbing Fe3+

Chen Zhou; Yinan Zhang; Heng Liu

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Recognition of the nanofibrous film chemosensor for Fe3+ by decrease of fluorescence.

http://dx.doi.org/10.21577/0103-5053.20170157

Published online: September 1, 2017


J. Braz. Chem. Soc. 2018, 29(3), 463-471

Effects of a Diet Supplemented with Japanese Grape (Hovenia dulcis) Seed Oil on the Omega-3 and Nutritional Lipid Quality in Nile Tilapia (Oreochromis niloticus)

Marina Oliveira; Ricardo P. Ribeiro; Michele C. da Silva; Paula F. Montanher; Fabiana Carbonera; Jesuí V. Visentainer; Liane Maldaner

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Japanese grape seed oil (JGSO) is rich in alpha-linolenic acid (LNA) and was used to prepare supplemented diets for Nile tilapia. The replacement of soybean oil with JGSO in the prepared diets raises the nutritional lipid quality of the freshwater fish.

http://dx.doi.org/10.21577/0103-5053.20170158

Published online: September 5, 2017

J. Braz. Chem. Soc. 2018, 29(3), 472-481

Principal Component Analysis with Linear and Quadratic Discriminant Analysis for Identification of Cancer Samples Based on Mass Spectrometry

Camilo L. M. Morais; Kássio M. G. Lima

How to cite this article

 

Principal component analysis with linear discriminant analysis (PCA-LDA) and quadratic discriminant analysis (PCA-QDA) were applied for discrimination between healthy control and cancer samples (ovarian and prostate cancer) based on mass spectra data sets.

http://dx.doi.org/10.21577/0103-5053.20170159

Published online: September 5, 2017


J. Braz. Chem. Soc. 2018, 29(3), 482-489

Simultaneous Determination of Different Phenolic Compounds Using Electrochemical Biosensor and Multivariate Calibration

Renata K. Mendes; Marcos V. C. Dantas; Alessandra B. Nogueira; Augusto Etchegaray; Paulo R. Filgueiras; Ronei J. Poppi

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A biosensor based on tyrosinase immobilized onto iron magnetic nanoparticles was successfully used for the simultaneous determination of two phenolic compounds after data analysis and chemometric treatment.

http://dx.doi.org/10.21577/0103-5053.20170160

Published online: September 11, 2017


J. Braz. Chem. Soc. 2018, 29(3), 490-498

The Dichromate Method versus the Photoelectrochemical Method: the Synergistic Influence of Turbidity and Chlorides on Chemical Oxygen Demand Analysis

Gabriel O. Quintana; Enelton Fagnani; Fernando P. Candello; José R. Guimarães

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The combined effect of turbidity and chlorides on chemical oxygen demand have not been explored before this study and must be considered when the acid dichromate method is replaced by photoelectrochemical method.

http://dx.doi.org/10.21577/0103-5053.20170161

Published online: September 11, 2017

J. Braz. Chem. Soc. 2018, 29(3), 499-508

Fine and Coarse Aerosol at Rio de Janeiro prior to the Olympic Games: Chemical Composition and Source Apportionment

Maria Luíza D. P. Godoy; Ana C. Almeida; Gisele B. Tonietto; José Marcus Godoy

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Aerosol sampler installed at Tijuca sampling station, showing both EPA design PM10 inlets, one for elemental analysis (left) and the other for carbon determination (right).

http://dx.doi.org/10.21577/0103-5053.20170162

Published online: September 13, 2017


J. Braz. Chem. Soc. 2018, 29(3), 509-514

Antimicrobial Diterpene from the Brazilian Termite Nasutitermes macrocephalus (Isoptera: Termitidae: Natutitermitinae)

Márcia N. S. de la Cruz; Helvécio M. dos Santos Júnior; Denilson F. Oliveira; Claudia M. Rezende

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A new trinervitane diterpene isolated from termite soldiers (Nasutitermes macrocephalus) presented antimicrobial activities against S. aureus and C. albicans.

http://dx.doi.org/10.21577/0103-5053.20170163

Published online: September 14, 2017


J. Braz. Chem. Soc. 2018, 29(3), 515-527

An in silico Study of Benzophenone Derivatives as Potential Non-Competitive Inhibitors of Trypanosoma cruzi and Leishmania Amazonensis Cysteine Proteinases

Poliany G. Freitas; Thiago E. Castilho; Leticia de Almeida; Claudia M. Maciel-Rezende; Luciano T. Costa; Claudio Viegas Junior; Marcos J. Marques; Marcelo H. dos Santos; Nelson J. F. da Silveira

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The mechanism of interaction between benzophenone derivatives and cruzain and Llacys1 (the protein expressed by cysteine protease gene isoform 1 of L. amazonensis) by homology modelling, docking and molecular dynamics simulation.

http://dx.doi.org/10.21577/0103-5053.20170164

Published online: September 14, 2017


J. Braz. Chem. Soc. 2018, 29(3), 528-534

A Novel Sensitive Bulk Optode Based on 5-Br Salophen as an Ionophore for Determination of Zinc Ion in Real Samples

Elham Alian; Abolfazl Semnani; Alireza Firooz; Mahboube Shirani

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The decrease of the concentration of 5-Br salophen in presence of Zn2+ in organic phase leads to an optical sensor, in which the mechanism is described by ion-exchange.

http://dx.doi.org/10.21577/0103-5053.20170165

Published online: September 15, 2017

J. Braz. Chem. Soc. 2018, 29(3), 535-542

Simultaneous Determination of Kaempferide, Kaempferol and Isorhamnetin in Rat Plasma by Ultra-High Performance Liquid Chromatography-Tandem Mass Spectrometry and its Application to a Pharmacokinetic Study

Zhitao Jiang; Jianchun Wang; Xiaofeng Chen; Xue Wang; Tongfang Wang; Zhitao Zhua; Jinhuo Pan

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The mean plasma concentration-time curves after an oral administration of Sedum sarmentosum Bunge extract are shown. The data conformed to a two-compartment, first-order pharmacokinetic model.

http://dx.doi.org/10.21577/0103-5053.20170166

Published online: September 18, 2017

J. Braz. Chem. Soc. 2018, 29(3), 543-559

Photoluminescence of Solvent-Selected Fluorescent Moieties in MEH-PPV Solutions and Films

Antonio C. C. Ribeiro; Henrique S. Camargo; Douglas H. Pereira; Rogério Custódio; Tatiana D. Martins

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The photophysical behavior of poly[2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene] (MEH-PPV) is morphology-dependent in both solution and film form: the preparation method influences the exciton distribution.

http://dx.doi.org/10.21577/0103-5053.20170167

Published online: September 21, 2017


J. Braz. Chem. Soc. 2018, 29(3), 560-570

Development of a Novel Mixed Titanium, Silver Oxide Polyacrylonitrile Nanofiber as a Superior Adsorbent and its Application for MB Removal in Wastewater Treatment

Zhiqun Xu; Congcong Wei; Jiali Jin; Wenkai Xu; Qiao Wu; Junjie Gu; Minrui Ou; Xiaoping Xu

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Development of a novel mixed titanium, silver oxide nanofiber as a superior adsorbent for dyes removal in the wastewater treatment.

http://dx.doi.org/10.21577/0103-5053.20170168

Published online: September 22, 2017

J. Braz. Chem. Soc. 2018, 29(3), 571-578

Determination of Chlorine in Crude Oil Emulsified via the MgCl Molecule by HR‑CS MAS

Izabel K. S. Oliveira; Rina L. S. Medeiros; Djalma R. Silva; Tatiane A. Maranhão

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Chlorine present in crude oil is an important cause of problems related to corrosion and damage to equipment. This paper describes the development of a method for chlorine determination in crude oil samples through MgCl diatomic molecule by high-resolution continuum source molecular absorption spectrometry (HR-CS MAS).

http://dx.doi.org/10.21577/0103-5053.20170169

Published online: September 22, 2017

J. Braz. Chem. Soc. 2018, 29(3), 579-586

Ultrasound-Assisted Saponification Coupled with Gas Chromatography-Flame Ionization Detection for the Determination of Phytosterols from Passion Fruit Seed Oil

Eliza M. Rotta; Michele C. da Silva; Liane Maldaner; Jesuí V. Visentainer

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A method based on ultrasound-assisted saponification (UAS) was proposed to determine phytosterols in passion fruit seed oil. The optimized UAS method extracted higher phytosterol concentrations and was about 3.3 times faster than the conventional saponification method.

http://dx.doi.org/10.21577/0103-5053.20170170

Published online: September 25, 2017

J. Braz. Chem. Soc. 2018, 29(3), 587-593

Screening and Binding Analysis of Flavonoids with Alpha-Amylase Inhibitory Activity from Lotus Leaf

Liping Liao; Jing Chen; Liangliang Liu; Aiping Xiao

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Centrifugal ultrafiltration combined with liquid chromatography was used to screen alpha-amylase inhibitors from ten flavonoids mixture and the binding degrees ranged from 2.34 to 94.1%.

http://dx.doi.org/10.21577/0103-5053.20170171

Published online: September 25, 2017

J. Braz. Chem. Soc. 2018, 29(3), 594-601

Effect of Dy3+ Amount on the Structural and Luminescence Properties of LaNbO4:Dy3+ Phosphor Obtained by One-Step Spray Pyrolysis Process

Gabriela S. Freiria; Amanda L. Ribeiro; Marc Verelst; Eduardo J. Nassar; Lucas A. Rocha

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Blue-white tunable emission color in (Dy3+)-LaNbO4 spherical particles synthesized by one-step spray pyrolysis process. The obtained CIE chromaticity coordinates fit the National Television Standard Committee (NTSC) standard values.

http://dx.doi.org/10.21577/0103-5053.20170172

Published online: September 25, 2017

J. Braz. Chem. Soc. 2018, 29(3), 602-608

Determination of Six Synthetic Dyes in Sports Drinks by Dispersive Solid-Phase Extraction and HPLC-UV-Vis

Luana Floriano; Lucila C. Ribeiro; Nathália Saibt; Nelson M. G. Bandeira; Osmar D. Prestes; Renato Zanella

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Simple and fast dispersive solid-phase extraction (d-SPE) method combined with syringe/filter to perform dyes analysis by high-performance liquid chromatography with ultraviolet-visible (HPLC-UV-Vis).

http://dx.doi.org/10.21577/0103-5053.20170173

Published online: September 26, 2017

J. Braz. Chem. Soc. 2018, 29(3), 609-614

N-Acetyl-cysteine Increases Chemical Stability of Hydroquinone in Pharmaceutical Formulations: a Theoretical and Experimental Approach

Rosivaldo S. Borges; Fernanda M. Costa; Tiago L. Pereira; Renata L. Araújo; Eduardo D. Almeida; Albérico B. F. da Silva

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Chemical stability of hydroquinone (a) is compared to kojic (b). The hydroquinone was the most reactive. Its oxidation was inhibited more by N-acetylcysteine (d) than ascorbic acid (c).

http://dx.doi.org/10.21577/0103-5053.20170174

Published online: September 29, 2017

J. Braz. Chem. Soc. 2018, 29(3), 615-621

Evaluation of Oxidative Stress in Patients with Acute Lymphoblastic Leukemia: Experimental Evidence of the Efficacy of MDA as Cancer Biomarker in Young Patients

Mariana B. Almeida; Emanuel Carrilho; Suzana L. Nixdorf

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Malondialdehyde (MDA) efficacy as a cancer biomarker in acute lymphoid leukemia (ALL) that affects young patients was experimentally evidenced. Biochemical parameter charts associating with MDA contents, determined by high performance liquid chromatography, applying chemometric tools, allowed correlating risk stratification and assist in the disease diagnosis.

http://dx.doi.org/10.21577/0103-5053.20170175

Published online: September 29, 2017

J. Braz. Chem. Soc. 2018, 29(3), 622-630

Antifungal Polyketides and Other Compounds from Amazonian Endophytic Talaromyces Fungi

Paulo H. F. da Silva; Mayane P. de Souza; Eliana A. Bianco; Sarah R. S. da Silva; Liviane N. Soares; Emmanoel V. Costa; Felipe M. A. da Silva; Andersson Barison; Moacir R. Forim; Quezia B. Cass; Afonso D. L. de Souza; Hector H. F. Koolen; Antonia Q. L. de Souza

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Talaromyces fungi were isolated from Amazonian plants. From the antimicrobial extracts, 13 compounds were isolated and fully characterized by spectroscopic methods. Among the isolated compounds, polyketides, maleic anhydrides, and steroids were obtained, including two new compounds. The antifungal evaluation of the isolated compounds is described herein.

http://dx.doi.org/10.21577/0103-5053.20170176

Published online: October 4, 2017


J. Braz. Chem. Soc. 2018, 29(3), 631-638

Quality Assessment of Omega-3 Supplements Available in the Brazilian Market

Marília B. Galuch; Fabiana Carbonera; Thiago F. S. Magon; Roberta da Silveira; Patrícia D. S. dos Santos; Jessica S. Pizzo; Oscar O. Santos; Jesuí V. Visentainer

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Fish oil omega-3 supplements are eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA) sources. However, fish oil is expensive raw material and its adulteration is common, especially with addition of edible oils with low cost, such as soybean oil. This study estimated the Brazilian reality regarding those supplements.

http://dx.doi.org/10.21577/0103-5053.20170177

Published online: October 5, 2017


J. Braz. Chem. Soc. 2018, 29(3), 639-648

Synthesis, Antibacterial and Antitubercular Evaluation of Cardanol and Glycerol‑Based β-Amino Alcohol Derivatives

Bhaskar R. Manda; Avvari N. Prasad; Narendar R. Thatikonda; Valdemar Lacerda Jr.; Layla R. Barbosa; Heloa Santos; Wanderson Romão; Fernando R. Pavan; Camila M. Ribeiro; Edson A. dos Santos; Maria R. Marques; Dênis P. de Lima; Ana C. Micheletti; Adilson Beatriz

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Herein we provide a simple and efficient approach for the synthesis of amino alcohols by using cardanol and glycerol building blocks with amines under catalyst-free and mild conditions. Some of these synthesized compounds exhibited significant antimicrobial activity against S. aureus and M. tuberculosis.

http://dx.doi.org/10.21577/0103-5053.20170178

Published online: October 6, 2017


J. Braz. Chem. Soc. 2018, 29(3), 649-658

Novel Chemical Route for Deposition of Cu2ZnSnS4 Photovoltaic Absorbers

Gerardo Gordillo; Raul A. Becerra; Clara L. Calderón

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Solar cells with efficiencies of 4.9% were fabricated using a Cu2ZnSnS4 absorber layer synthesized following a novel chemical route based on the membrane assisted chemical bath deposition (CBD) technique.

http://dx.doi.org/10.21577/0103-5053.20170179

Published online: October 9, 2017

J. Braz. Chem. Soc. 2018, 29(3), 659-668

In-House Validation of HPLC-MS/MS Methods for Detection and Quantification of Tetracyclines in Edible Tissues and Feathers of Broiler Chickens

Ekaterina V. Pokrant; Aldo E. Maddaleno; Carolina E. Araya; Betty V. San Martín; Javiera Cornejo

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An in-house validation of methods was used for determination of tetracyclines in chicken feather, muscle and liver tissues, through high-performance liquid chromatography coupled with tandem mass spectrometry (HPLC MS/MS).

http://dx.doi.org/10.21577/0103-5053.20170180

Published online: October 10, 2017


Additions and Corrections J. Braz. Chem. Soc. 2018, 29(3), 669

Nano-Detoxification of Organophosphate Agents by PAMAM Derivatives

Esteban F. Durán-Lara; Fabian Ávila-Salas; Sebastian Galaz; Amalraj John; Adolfo Maricán; Margarita Gutiérrez; Fabiane M. Nachtigall; Fernando D. Gonzalez-Nilo; Leonardo S. Santos

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http://dx.doi.org/10.21577/0103-5053.20170194

Published online: October 26, 2017

Online version ISSN 1678-4790 Printed version ISSN 0103-5053
Journal of the Brazilian Chemical Society
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