JBCS

13:14, Mon Sep 24

Open Access/APCs

vol. 29, No. 7, 2018, p. 1367-1592

 

Leishmania donovani is a human blood parasite responsible for visceral leishmaniasis. Quantitative structure-activity relationship analysis and molecular docking studies were applied to a series of Leishmania donovani N-myristoyltransferase inhibitors and three new compounds were proposed. Details are presented in the Article Design of Novel N-Myristoyltransferase Inhibitors of Leishmania donovani Using Four-Dimensional Quantitative Structure-Activity Relationship Analysis by Letícia Santos-Garcia, Daniela R. Silva, Letícia C. Assis, Tamiris M. de Assis, Giovanna C. Gajo, Ítalo Antônio Fernandes, Teodorico C. Ramalho and Elaine F. F. da Cunha on page 1440.


Cover Article
J. Braz. Chem. Soc. 2018, 29(7), 1440-1454

Design of Novel N-Myristoyltransferase Inhibitors of Leishmania donovani Using Four-Dimensional Quantitative Structure-Activity Relationship Analysis

Letícia Santos-Garcia; Daniela R. Silva; Letícia C. Assis; Tamiris M. de Assis; Giovanna C. Gajo; Ítalo Antônio Fernandes; Teodorico C. Ramalho; Elaine F. F. da Cunha

How to cite this article

Leishmania donovani is a human blood parasite responsible for visceral leishmaniasis. Quantitative structure-activity relationship analysis and molecular docking studies were applied to a series of Leishmania donovani N-myristoyltransferase inhibitors and three new compounds were proposed. Details are presented in the Article Design of Novel N-Myristoyltransferase Inhibitors of Leishmania donovani Using Four-Dimensional Quantitative Structure-Activity Relationship Analysis by Letícia Santos-Garcia, Daniela R. Silva, Letícia C. Assis, Tamiris M. de Assis, Giovanna C. Gajo, Ítalo Antônio Fernandes, Teodorico C. Ramalho and Elaine F. F. da Cunha on page 1440.

http://dx.doi.org/10.21577/0103-5053.20180007

Published online: January 15, 2018

Articles J. Braz. Chem. Soc. 2018, 29(7), 1367-1372

Prediction of Sulfur Content in Diesel/Biodiesel Blends Using LED-Induced Fluorescence Associated with Multivariate Calibration

Alessandra T. Campos; Cristina M. Quintella; Marilena Meira; Saionara Luna

How to cite this article

 

Light emitting diode (LED)-induced fluorescence equipment was used in the biodiesel/diesel/sulfur sample readings and after the analysis the data treatment was done using partial least squares (PLS).

http://dx.doi.org/10.21577/0103-5053.20170236

Published online: December 19, 2017

J. Braz. Chem. Soc. 2018, 29(7), 1373-1381

Carbon Nanotube-Supported Copper-Cobalt Catalyst for the Production of Higher Carbon Number Alcohols through Carbon Monoxide Hydrogenation

Peng Wang; Xihua Du; Wenchang Zhuang; Keying Cai; Jing Li; Yan Xu; Yingmei Zhou; Kai Sun; Shuyao Chen; Xiaoli Li; Yisheng Tan

How to cite this article

 

Copper promotes the reduction of CoO and forms Cu0–Co0 active sites; in addition to this center, Co0–Co2+ is also the center for high alcohols synthesis and Co2+ site favor alcohols yields. Excellent C2+ alcohols selectivity is got over the catalyst with weight ratio of Cu/Co = 1.

http://dx.doi.org/10.21577/0103-5053.20170237

Published online: December 20, 2017


J. Braz. Chem. Soc. 2018, 29(7), 1382-1387

Rapid and Efficient Uncatalyzed Knoevenagel Condensations from Binary Mixture of Ethanol and Water

João M. G. O. Ferreira; João B. M. de Resende Filho; Poliane K. Batista; Ercules E. S. Teotonio; Juliana A. Vale

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The uncatalyzed Knoevenagel condensation between aldehydes and different compounds with active methylene was performed under new conditions using a mixture of ethanol/water (3:7, v/v), showing a good isolated yields in a short reaction time.

http://dx.doi.org/10.21577/0103-5053.20170240

Published online: December 21, 2017


J. Braz. Chem. Soc. 2018, 29(7), 1388-1399

Synthesis, DNA Interaction and Genotoxic Evaluation of a Photoactive Benzothiadiazole with Potential Application in Photovoltaic Paint

Adriani P. Damiani; Paula Rohr; José L. Westrup; Rodrigo C. Duarte; Luiza M. Longaretti; Bruna M. da Rocha; Giulia Strapazzon; Lara C. Venturini; Emanuel Souza; Claus T. Pich; Tiago E. A. Frizon; Vanessa M. de Andrade; Fabiano S. Rodembusch; Alexandre G. Dal-Bó

How to cite this article

 

The 2,1,3-benzothiadiazole compound can be used safely in manufacturing as a dye for paints and photovoltaic devices.

http://dx.doi.org/10.21577/0103-5053.20170241

Published online: December 21, 2017

J. Braz. Chem. Soc. 2018, 29(7), 1400-1405

A Multicommuted Flow System for Spectrophotometric Determination of Formaldehyde in Mushroom

Gabriel F. Pinto; Diogo L. Rocha; Eduardo M. Richter; Rodrigo A. A. Muñoz; Sidnei G. da Silva

How to cite this article

 

A multicommuted flow system for spectrophotometric determination of formaldehyde in mushroom based on the Hantzsch reaction (λmax = 412 nm) is reported with a detection limit of 0.02 mg L-1, sample throughput of 17 h-1 and reduced chemical waste.

http://dx.doi.org/10.21577/0103-5053.20180002

Published online: January 8, 2018

J. Braz. Chem. Soc. 2018, 29(7), 1406-1416

Transition from Thermokinetic to Chemical Instabilities in a Modified Sal'nikov Model

Daniel Barragán; Pablo A. Ochoa-Botache

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Transition between chemical and thermokinetic oscillations mediated by a stoichiometric bifurcation parameter in a hypothetical biological context: muscle fatigue and possible ATP thermosynthesis.

http://dx.doi.org/10.21577/0103-5053.20180003

Published online: January 11, 2018


J. Braz. Chem. Soc. 2018, 29(7), 1417-1426

Adsorptive Stripping Voltammetric Determination of Oxolinic Acid in Water Sample

Herbert Aleixo; Leonardo L. Okumura; Astréa F. S. Silva; Alexandre Gurgel; Juliana A. Diniz

How to cite this article

 

A new method for analysis of the antimicrobial oxolinic acid (OXA) in untreated water was developed using carbon paste electrode.

http://dx.doi.org/10.21577/0103-5053.20180004

Published online: January 12, 2018

J. Braz. Chem. Soc. 2018, 29(7), 1427-1439

Polydimethylsiloxane as a Matrix for the Stabilization and Immobilization of Zero‑Valent Iron Nanoparticles. Applications to Dehalogenation of Environmentally Deleterious Molecules

Donaldo Fabio Mercado; Richard G. Weiss

How to cite this article

 

Introduction of zero-valent iron nanoparticles into amino-polydimethylsiloxane based materials allows easy recovery of the particles while maintaining their reactivity toward the dehalogenation of environmental pollutants.

http://dx.doi.org/10.21577/0103-5053.20180006

Published online: January 15, 2018


J. Braz. Chem. Soc. 2018, 29(7), 1440-1454

Design of Novel N-Myristoyltransferase Inhibitors of Leishmania donovani Using Four-Dimensional Quantitative Structure-Activity Relationship Analysis

Letícia Santos-Garcia; Daniela R. Silva; Letícia C. Assis; Tamiris M. de Assis; Giovanna C. Gajo; Ítalo Antônio Fernandes; Teodorico C. Ramalho; Elaine F. F. da Cunha

How to cite this article

 

Proposed N-myristoyltransferase (NMT) inhibitors of Leishmania donovani anchored in the active site of the enzyme.

http://dx.doi.org/10.21577/0103-5053.20180007

Published online: January 15, 2018


J. Braz. Chem. Soc. 2018, 29(7), 1455-1463

Study on the Mixed-Mode HPLC Separation of Shuang-Huang-Lian and Xue‑Bi‑Jing Injections Based on an Ionic Liquid Column

Aihong Yang; Shun Zhang; Lei Zhang; Jingjing Zhong; Xiaodi Kou

How to cite this article

 

Traditional Chinese medicine injections were analyzed based on an ionic liquid column. U-Shape plots of retention factors vs. mobile phase constitutions were obtained and mixed-mode chromatography was applied for this kind of complex system.

http://dx.doi.org/10.21577/0103-5053.20180012

Published online: January 26, 2018


J. Braz. Chem. Soc. 2018, 29(7), 1464-1479

Evaluation of the Sustainability of Integrated Hydrothermal Synthesis of Zeolites Obtained from Waste

Suzana F. Ferrarini; Ariela M. Cardoso; Luisa Alban; Marçal J. R. Pires

How to cite this article

 

Comparison between the two processes via: (i) assessment of the process of Si, Al and contaminants in the extracts, zeolitic, products and effluents, (ii) cation exchange capacity and purity, and (iii) reaction yields and percentage of Si and Al incorporated into zeolites, among others.

http://dx.doi.org/10.21577/0103-5053.20180017

Published online: February 6, 2018


J. Braz. Chem. Soc. 2018, 29(7), 1480-1486

Automatic Identification of Cigarette Brand Using Near-Infrared Spectroscopy and Sparse Representation Classification Algorithm

Yang Shuangyan; Hou Ying; Yang Lingchun; Zhang Jianqiang; Liu Weijuan; Qiu Changgui; Li Ming; Yang Yanmei

How to cite this article

 

The combination of near-infrared (NIR) spectroscopy and deep learning algorithm is a promising classification tool of discriminating different categories of objects.

http://dx.doi.org/10.21577/0103-5053.20180019

Published online: February 8, 2018

J. Braz. Chem. Soc. 2018, 29(7), 1487-1498

Selective Adsorption of AuIII from Aqueous Solution Using 2,5‑Dimercapto‑1,3,4‑thiadiazole Modified Persimmon Tannin

Sijing Zhang; Yongliang Ji; Fengjiao Ao; Yongping Wang; Junxue Zhao; Shuangli Chen

How to cite this article

 

DMTD-PT, a persimmon tannin (PT)-based and 2,5-dimercapto-1,3,4-thiadiazole (DMTD) grafted biosorbent, showed the better selectivity for AuIII over coexisting base metal ions in aqueous solution.

http://dx.doi.org/10.21577/0103-5053.20180022

Published online: February 14, 2018


J. Braz. Chem. Soc. 2018, 29(7), 1499-1515

Using Bar Infrared Spectra and Coincidence Indexes to Study the Diversity of Solid Cyanuric Acid Structures

Marcela C. B. G. Nilo; Thais G. Simões; Claudio Costa Neto

How to cite this article

 

Bar spectra and coincidence indexes establish new horizons for the infrared spectroscopy of solids. Polymorphs are precisely detected and quantified. This method may become an important tool for studying polymorphs in active pharmaceutical ingredients (APIs).

http://dx.doi.org/10.21577/0103-5053.20180023

Published online: February 14, 2018


J. Braz. Chem. Soc. 2018, 29(7), 1516-1526

Effects of the Structure and Composition of Montmorillonite on the Dimerization of Unsaturated Fatty Acids

Xue Huang; Yaoqi Yin; Buning Zhang; Guangzhu Feng

How to cite this article

 

After one-step and two-step intercalations, the structure and properties of montmorillonite (MMT) affect the formation of dimer acids by the dimerization of unsaturated fatty acids.

http://dx.doi.org/10.21577/0103-5053.20180025

Published online: February 16, 2018

J. Braz. Chem. Soc. 2018, 29(7), 1527-1537

ETS‑10 Modified with CuxO Nanoparticles and Their Application for the Conversion of CO2 and Water into Oxygenates

Eliane R. Januário; Ana F. Nogueira; Heloise O. Pastore

How to cite this article

 

Solar fuels were obtained from CO2 and H2O photoreduction using ETS-10/CuxO as photocatalyst.

http://dx.doi.org/10.21577/0103-5053.20180026

Published online: February 20, 2018


J. Braz. Chem. Soc. 2018, 29(7), 1538-1550

Development of a Method Based on DLLME and UFLC-DAD for the Determination of Antibiotics in Honey Samples and the Study of Their Degradation Kinetics

Ana C. B. A. Santana; Marta V. A. Santana; Pedro A. P. Pereira

How to cite this article

 

In this work, a method was developed, based on dispersive liquid-liquid microextraction (DLLME)-ultra-fast liquid chromatography coupled to diode array detector (UFLC-DAD), to simultaneously determine ten antibiotics in honey and for studying their degradation kinetics.

http://dx.doi.org/10.21577/0103-5053.20180028

Published online: February 20, 2018


J. Braz. Chem. Soc. 2018, 29(7), 1551-1562

Multiple Spectroscopic and Theoretical Approaches to Study the Interaction between HSA and the Antiparasitic Drugs: Benznidazole, Metronidazole, Nifurtimox and Megazol

Otávio A. Chaves; Romulo C. Ferreira; Lorrayne S. da Silva; Bruna C. E. de Souza; Dari Cesarin-Sobrinho; José Carlos Netto-Ferreira; Carlos M. R. Sant'Anna; Aurélio B. B. Ferreira

How to cite this article

 

Benznidazole (BZL), metronidazole (MTZ), nifurtimox (NFX) and megazol (MZ) can be carried in the human bloodstream by human serum albumin (HSA). NFX showed differences in the thermodynamic parameters; the presence of the 1,3,4-thiadiazole group in the MZ structure results in better interaction with HSA.

http://dx.doi.org/10.21577/0103-5053.20180029

Published online: February 20, 2018


J. Braz. Chem. Soc. 2018, 29(7), 1563-1569

A Water Soluble Naphthalimide-Based Chemosensor for Fluorescent Detection CN in Pure Water and Its Application in Practical Samples

Li Wang; Wen-Ting Li; Wen-Juan Qu; Yan-Qing Fan; Hong Yao; Qi Lin; Tai‑Bao Wei; You-Ming Zhang

How to cite this article

 

A water soluble fluorescent chemosensor (DA) was successfully synthesized. It could fluorescent detect CN- with high selectivity and sensitivity in pure water via an intramolecular charge transfer to twisted intramolecular charge transfer (ICT-TICT) state change mechanism.

http://dx.doi.org/10.21577/0103-5053.20180030

Published online: February 23, 2018


J. Braz. Chem. Soc. 2018, 29(7), 1570-1578

Fit-for-Purpose ICP-MS Procedure Supporting Brazilian Regulations on Inorganic Constituents in Fresh and Saline Waters

Fernanda C. Pinheiro; Rodolfo Lorençatto; Ariane I. Barros; Clarice D. B. Amaral; Joaquim A. Nóbrega

How to cite this article

 

Determination of 25 elements in fresh and sea water by inductively coupled plasma mass spectrometry (ICP-MS) in order to support four Brazilian regulations. High matrix introduction (HMI) system allowed sea water analysis with only 2-fold dilution.

http://dx.doi.org/10.21577/0103-5053.20180070

Published online: April 2, 2018

Short Report J. Braz. Chem. Soc. 2018, 29(7), 1579-1584

Mercury Biodistribution in Rats after Chronic Exposure to Mercury Chloride

Mariana Z. G. Fornazier; Tatiani B. Nascimento; Vinicius B. Marques; Tatiana D. Saint'Pierre; Dalton Vassalo; Geisamanda P. Brandão; Leonardo dos Santos; Maria T. W. D. Carneiro

How to cite this article

 

In this work we evaluated the mercury biodistribution after different doses of HgCl2. Mercury was deposited preferentially in some tissues while the blood levels remained practically constant. Therefore, it is suggested that blood mercury monitoring is relevant only when the tissues turn saturated.

http://dx.doi.org/10.21577/0103-5053.20180001

Published online: January 5, 2018

J. Braz. Chem. Soc. 2018, 29(7), 1585-1592

Applying Different Sample Treatment Strategies for Evaluating Phosphorus Distribution in Orange Juice

Maria F. C. da Silva Neta; Ana C. F. de Lyra; Sarah A. R. Soares; Josué C. C. Santos; Daniela S. Anunciação

How to cite this article

 

Estimation of phosphorus distribution in orange juice by different sample treatment strategies including fractioning in function of its particle size and charge.

http://dx.doi.org/10.21577/0103-5053.20180005

Published online: January 12, 2018

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