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Current Issue vol. 26, No. 9, 2015, p. 1743-1966

 

Thought for Food

Chemical industry depends strongly on the price and availability of raw materials. On the other hand, its ability to transform otherwise useless or even harmful materials into valuable products is impressive.
We can now observe the growing scarcity of many minerals that are chemically transformed into much needed products. The ups and downs of oil and gas availability are familiar to any informed person in every country but there are reasons for concern over the majority of the elements in the periodic table. Indeed, the list of abundant elements is limited to H, Na, K, Ca, Ti, Fe, Al, C, Si, N, O, S and Cl while He, Zn, Ga, In, Ge, Ag, Te, Hf and As are under serious threat of becoming unavailable within the next 100 years or less. The situation for every element appears in a periodic table created by Mike Pitts and colleagues at the UK's Chemistry Innovation Knowledge Transfer Network and it can be easily obtained from sites and blogs in the Internet.1
Facing this situation requires very good knowledge of the various practical uses of each element, the respective life-cycles, availability within low grade ores that can eventually become commercial, recycling procedures and fate in the environment.

(Read more at Editorial)


Cover Article
J. Braz. Chem. Soc. 2015, 26(9), 1936-1946

ALK-5 Inhibition: A Molecular Interpretation of the Main Physicochemical Properties Related to Bioactive Ligands

Sheila C. Araujo; Vinicius G. Maltarollo; Danielle C. Silva; Jadson C. Gertrudes; Kathia M. Honorio

How to cite this article

Activin-like kinase 5 (ALK-5) receptor is considered a key target for the cancer treatment and there are several classes of ALK-5 inhibitors reported in the literature. Quantitative structure-activity relationship (QSAR) models are important to describe the main physicochemical properties related to the biological activity of bioactive ligands. From a set of ALK-5 inhibitors and electronic, molecular, stereochemical and topological descriptors, different techniques of variable selection in combination with partial least squares regression were employed to construct reliable multivariate models.. Details are presented in the Article ALK-5 Inhibition: A Molecular Interpretation of the Main Physicochemical Properties Related to Bioactive Ligands by Sheila C. Araujo, Vinicius G. Maltarollo, Danielle C. Silva, Jadson C. Gertrudes and Kathia M. Honorio on page 1936.

http://dx.doi.org/10.5935/0103-5053.20150172

Published online: July 17, 2015
Editorial J. Braz. Chem. Soc. 2015, 26(9), 1743-1744

Thought for Food

Fernando Galembeck

How to cite this article

 

http://dx.doi.org/10.5935/0103-5053.20150220

Articles J. Braz. Chem. Soc. 2015, 26(9), 1745-1750

Separation of the Glycerol-Biodiesel Phases in an Ethyl Transesterification Synthetic Route Using Water

Willian L. G. da Silva; Patrícia T. de Souza; Gustavo G. Shimamoto; Matthieu Tubino

How to cite this article

 

In the synthesis of an ethyl biodiesel prepared through a transesterification reaction, the separation of the glycerol from the biodiesel phase is facilitated by the addition of water.

http://dx.doi.org/10.5935/0103-5053.20150147

Published online: June 9, 2015
J. Braz. Chem. Soc. 2015, 26(9), 1751-1759

New and Sensitive Electroquantification of Sulfentrazone in Soil by Differential-Pulse Voltammetry

Mariana N. Catrinck; Leonardo L. Okumura; Antonio A. Silva; Adelir A. Saczk; Marcelo F. Oliveira

How to cite this article

 

Sulfentrazone was analyzed directly in the soil sample without any cleaning step or pre-concentration by differential-pulse voltammetry.

http://dx.doi.org/10.5935/0103-5053.20150150

Published online: June 19, 2015
J. Braz. Chem. Soc. 2015, 26(9), 1760-1768

Rietveld Method in the Analysis of Polymorphism in Mebendazole Tablets Acquired in Brazil's Drugstores

Simone T. B. Salvi; Selma G. Antonio; Fabio F. Ferreira; Carlos O. Paiva-Santos

How to cite this article

 

Using X-ray powder diffraction and the Rietveld method to identify as well as to quantify mebendazole polymorphs in solid formulations available in Brazilian market.

http://dx.doi.org/10.5935/0103-5053.20150151

Published online: June 19, 2015

J. Braz. Chem. Soc. 2015, 26(9), 1769-1780

Layered Zinc Hydroxide Salts Intercalated with Anionic Surfactants and Adsolubilized with UV Absorbing Organic Molecules

Ana C. T. Cursino; Vicente Rives; Luís D. Carlos; João Rocha; Fernando Wypych

How to cite this article

 

Layered zinc hydroxides intercalated with two surfactants were adsolubilized with different neutral UV absorbing molecules. The materials have potential to be used in new sunscreens formulations.

http://dx.doi.org/10.5935/0103-5053.20150152

Published online: June 19, 2015

J. Braz. Chem. Soc. 2015, 26(9), 1781-1789

Solubility and Bioaccessibility of Ba, Ca, Cr, Cu, Fe, Mg, Mn, P, Sr and Zn in Slim Coffee Infusions by in vitro Gastrointestinal Digestion

Anna Szymczycha-Madeja; Maja Welna and Pawel Pohl

How to cite this article

 

The solubility and the bioaccessibility of macro- (Ca, Mg, P), essential trace (Cu, Fe, Mn, Zn) and non-essential trace (Ba, Cr, Sr) elements of the slim coffee products were evaluated by the in vitro gastrointestinal digestion.

http://dx.doi.org/10.5935/0103-5053.20150154

Published online: June 23, 2015

J. Braz. Chem. Soc. 2015, 26(9), 1790-1797

Determination of Pesticides in Soil Using a Hyphenated Extraction Technique

Carlos E. S. Soares; Antônio A. Neves; Maria E. L. R. Queiroz; André F. Oliveira; Anna I. G. Costa; Roberta C. Assis; Carlos Eduardo O. Andrade

How to cite this article

 

Application of single drop microextraction in solid samples. This method consists of hyphenation techniques already existing: solid-liquid extraction with low temperature partitioning and single drop microextraction.

http://dx.doi.org/10.5935/0103-5053.20150155

Published online: June 23, 2015
J. Braz. Chem. Soc. 2015, 26(9), 1798-1803

Effects from Gold Electrodes on the Electron-Phonon Coupling of Poly(p-phenylenevinylene) Films

Eralci M. Therézio; Ángel A. Hidalgo; Osvaldo N. Oliveira Jr.; Raigna A. Silva; Alexandre Marletta

How to cite this article

 

Au clusters interaction occurs with the phenyl rings. These results predict effects from metallic electrodes deposited on polymer films. The results are consistent with theoretical predictions in ab initio calculations.

http://dx.doi.org/10.5935/0103-5053.20150156

Published online: June 23, 2015
J. Braz. Chem. Soc. 2015, 26(9), 1804-1816

Synthesis, Antitumor Activity and Docking of 2,3-(Substituted)-1,4-Naphthoquinone Derivatives Containing Nitrogen, Oxygen and Sulfur

Maicon Delarmelina; Renata D. Daltoé; Murilo F. Cerri; Klesia P. Madeira; Leticia B. A. Rangel; Valdemar Lacerda Júnior; Wanderson Romão; Alex G. Taranto; Sandro J. Greco

How to cite this article

 

Eleven 1,4-naphthoquinone derivatives were synthesized, their cytotoxic effects on cancer cells were evaluated and docking studies were conducted.

http://dx.doi.org/10.5935/0103-5053.20150157

Published online: June 26, 2015

J. Braz. Chem. Soc. 2015, 26(9), 1817-1823

Dye Degradation Enhanced by Coupling Electrochemical Process and Heterogeneous Photocatalysis

Lidiaine M. Santos; Kamila P. de Amorim; Leonardo S. Andrade; Paulo S. Batista; Alam G. Trovó; Antonio E. H. Machado

How to cite this article

 

The combination between an electrochemical process and heterogeneous photocatalysis for dye degradation resulted in 74% of mineralization in 120 min of reaction, a value 30% higher than the sum of the results obtained by heterogeneous photocatalysis (44%) and electrochemical oxidation (13%).

http://dx.doi.org/10.5935/0103-5053.20150158

Published online: June 26, 2015
J. Braz. Chem. Soc. 2015, 26(9), 1824-1830

Photochemical and Electrochemical Study of the Release of Nitric Oxide from [Ru(bpy)2L(NO)](PF6)n Complexes (L = Imidazole, 1-Methylimidazole, Sulfite and Thiourea), Toward the Development of Therapeutic Photodynamic Agents

Manuela C. L. Cândido; Arquimedes M. Oliveira; Francisco O. N. Silva; Alda K. M. Holanda; Walysson Gomes Pereira; Eduardo H. S. Sousa; Zumira A. Carneiro; Roberto S. Silva; Luiz G. F. Lopes

How to cite this article

 

The photochemical release of nitric oxide from complex type [Ru(bpy)2LX]n+ was investigated.The amount of NO released from the complexes upon irradiation was determined using a new developed method through square wave voltammetry.

http://dx.doi.org/10.5935/0103-5053.20150159

Published online: June 26, 2015

J. Braz. Chem. Soc. 2015, 26(9), 1831-1837

Screening of By-Products of Esfenvalerate in Aqueous Medium Using SBSE Probe Desorption GC-IT-MS Technique

Renata Colombo; Tanare C. R. Ferreira; Janete H. Yariwake; Marcos R. V. Lanza

How to cite this article

 

Esfenvalerate degradation products were obtained by chemical oxidation with hydrogen peroxide and analyzed by stir bar sorptive extraction (SBSE) liquid and thermal desorption. Their structure was elucidated using SBSE technique and probe desorption gas chromatography-ion trap mass spectrometry (GC-IT-MS) analysis.

http://dx.doi.org/10.5935/0103-5053.20150160

Published online: June 26, 2015
J. Braz. Chem. Soc. 2015, 26(9), 1838-1847

Ruthenium(II) Complexes Containing Anti-Inflammatory Drugs as Ligands: Synthesis, Characterization and in vitro Cytotoxicity Activities on Cancer Cell Lines

Junai C. S. Lopes; Jaqueline L. Damasceno; Pollyanna F. Oliveira; Adriana P. M. Guedes; Denise C. Tavares; Victor M. Deflon; Norberto P. Lopes; Marcos Pivatto; Alzir A. Batista; Pedro I. S. Maia; Gustavo Von Poelhsitz

How to cite this article

 

Two new ruthenium(II) complexes containing diclofenac and ibuprofen anions as coligands were active against human tumor cell lines.

http://dx.doi.org/10.5935/0103-5053.20150161

Published online: June 30, 2015

J. Braz. Chem. Soc. 2015, 26(9), 1848-1860

Potentiometric Titration and Out-Of-Equilibrium pH Response of the Biotite-Water System

Vicente R. Almeida; Bruno Szpoganicz; Steeve Bonneville

How to cite this article

 

"Slow" proton exchange entropy production in the biotite-water complex system (S) shows that biotite offers acidification-resistant relations to soils and natural environment.

http://dx.doi.org/10.5935/0103-5053.20150162

Published online: July 3, 2015
J. Braz. Chem. Soc. 2015, 26(9), 1861-1870

Synthesis and Characterization of Methylcellulose Produced from Bacterial Cellulose under Heterogeneous Condition

Rafael L. Oliveira; Júlia G. Vieira; Hernane S. Barud; Rosana M. N. Assunção; Guimes R. Filho; Sidney J. L. Ribeiro; Younes Messadeqq

How to cite this article

 

Methylcellulose (MC) was produced from bacterial cellulose, using dimethyl sulfate under heterogeneous conditions. A material with a high degree of substitution (DS) was obtained.

http://dx.doi.org/10.5935/0103-5053.20150163

Published online: July 3, 2015
J. Braz. Chem. Soc. 2015, 26(9), 1871-1878

Bifunctional Porous SiO2 Complex Nanoparticles with Properties of Enzymatic Catalysis and Optical Oxygen Sensing

Jun Huang; Kun Li; Huichao Liu; Liyun Ding

How to cite this article

 

The complex particles have improved enzyme stability of storage compared with free glucose oxidase (GOD) and optical oxygen sensing property.

http://dx.doi.org/10.5935/0103-5053.20150164

Published online: July 3, 2015
J. Braz. Chem. Soc. 2015, 26(9), 1879-1886

Contributions on the Use of Bismuth as Internal Standard for Lead Determinations Using ICP-Based Techniques

Marcos A. Bechlin; Edilene C. Ferreira; José A. Gomes Neto; Juliano C. Ramos; Daniel L. G. Borges

How to cite this article

 

Bismuth was evaluated as a general internal standard in lead determinations in inductively coupled plasma-based techniques in a great variety of sample matrices.

http://dx.doi.org/10.5935/0103-5053.20150165

Published online: July 3, 2015

J. Braz. Chem. Soc. 2015, 26(9), 1887-1896

Nanomagnetite-Zeolite Composites in the Removal of Arsenate from Aqueous Systems

Carmen Pizarro; María A. Rubio; Mauricio Escudey; María F. Albornoz; Daniela Muñoz; Juliano Denardin; José D. Fabris

How to cite this article

 

Supported nanomagnetite reduces the difficulty of separating nanoparticles from aqueous suspensions, where the use of unsupported nanoparticles is likely to lead to eventual contamination of soils, sediments, runningwater and groundwater sources.

http://dx.doi.org/10.5935/0103-5053.20150166

Published online: July 3, 2015
J. Braz. Chem. Soc. 2015, 26(9), 1897-1901

Evaluation of the Effects of Hofmeister Series on Salting Out in the Determination of Organophosphorous Pesticides and Pyrethroids by LDS/DLLME

Luiz M. S. Noronha; Antonio A. Neves; Maria E. L. R. Queiroz; André F. Oliveira

How to cite this article

 

The influence of Voet lyotropic number of salts in aqueous phase on volume of organic phase in dispersive liquid-liquid microextraction (DLLME) for pesticides determination.

http://dx.doi.org/10.5935/0103-5053.20150167

Published online: July 3, 2015
J. Braz. Chem. Soc. 2015, 26(9), 1902-1913

Dispersive Liquid-Liquid Microextraction with Liquid Chromatography-Tandem Mass Spectrometry for the Determination of Triazine, Neonicotinoid, Triazole and Imidazolinone Pesticides in Mineral Water Samples

Cátia M. Bolzan; Sergiane S. Caldas; Bruno S. Guimarães; Ednei G. Primel

How to cite this article

 

Dispersive liquid-liquid microextraction (DLLME) was successfully used for the extraction of neonicotinoid, triazole and imidazolinone pesticides in mineral water samples.

http://dx.doi.org/10.5935/0103-5053.20150168

Published online: July 8, 2015

J. Braz. Chem. Soc. 2015, 26(9), 1914-1919

p-Cymenesulphonyl Chloride: A Bio-Based Activating Group and Protecting Group for Greener Organic Synthesis

Thomas J. Farmer; James H. Clark; Maite L. Gothe; Duncan J. Macquarrie; James Sherwood

How to cite this article

 

p-Cymenesulphonyl chloride can be synthesised from abundant sources of citrus waste for use in organic chemistry as a protecting and activating group.

http://dx.doi.org/10.5935/0103-5053.20150169

Published online: July 8, 2015

J. Braz. Chem. Soc. 2015, 26(9), 1920-1927

Instrumental and Experimental Conditions for the Application of Fourier Transform Infrared Analysis on Soil and Humic Acid Samples, Combined with Chemometrics Tools and Scanning Electron Microscopy

Nathalie Merlin; Vanderlei A. Lima; Larissa M. Santos-Tonial

How to cite this article

 

Study about soil and humic acid samples by Fourier transform infrared spectroscopy (instrumental conditions of background and baseline), supported by the use of chemometric tools. Samples were also studied by scanning electron microscopy.

http://dx.doi.org/10.5935/0103-5053.20150170

Published online: July 8, 2015
J. Braz. Chem. Soc. 2015, 26(9), 1928-1935

Volatilization of Ammonia Originating from Urea Treated with Oxidized Charcoal

Gelton G. F. Guimarães; Diogo M. Paiva; Reinaldo B. Cantarutti; Edson M. Mattiello; Efraim L. Reis

How to cite this article

 

Charcoal of eucalyptus tree was obtained by heating at 350 ºC and after was oxidized with HNO3. The charcoal was characterized by acid-base potentiometric titration and infrared spectroscopy. The charcoal was mixed with urea and the volatilization of NH3 was evaluated in the time and with various charcoal proportions.

http://dx.doi.org/10.5935/0103-5053.20150171

Published online: July 8, 2015
J. Braz. Chem. Soc. 2015, 26(9), 1936-1946

ALK-5 Inhibition: A Molecular Interpretation of the Main Physicochemical Properties Related to Bioactive Ligands

Sheila C. Araujo; Vinicius G. Maltarollo; Danielle C. Silva; Jadson C. Gertrudes; Kathia M. Honorio

How to cite this article

 

Studies of quantitative structure-activity relationships were performed to explore the relationship between the molecular structure of 1,5-naphthyridine, pyrazole and quinazoline derivatives and the inhibition of the activin-like kinase 5, a biological target related to the cancer treatment.

http://dx.doi.org/10.5935/0103-5053.20150172

Published online: July 17, 2015

J. Braz. Chem. Soc. 2015, 26(9), 1947-1955

Synthesis of Poly(Vinylferrocene) Perchlorate/Poly(3,3'-Diaminobenzidine) Modified Electrode in Dichloromethane for Electroanalysis of Hydroquinone

Emine Ülker; Muammer Kavanoz

How to cite this article

 

PVF+ClO4--PDAB composite film was potentiodynamically synthesized for the first time on Pt disc electrode. Prepared film had porous structure. The film was used for amperometric determination of hydroquinone and it was found sensitive to hydroquinone. Lower limit of detection and broad linear range were obtained.

http://dx.doi.org/10.5935/0103-5053.20150173

Published online: July 17, 2015
J. Braz. Chem. Soc. 2015, 26(9), 1956-1966

Coupling DLLME-CE for the Stereoselective Analysis of Venlafaxine and Its Main Metabolites after Biotransformation by Fungi

Marcela A. Bortoleto; Mariana Z. Bocato; Mônica T. Pupo; Cristiane M. Gaitani; Anderson R. M. Oliveira

How to cite this article

 

Stereoselective biotransformation of rac-venlafaxine into (+)-(S)-N-desmethylvenlafaxine by the fungus Cunninghamella elegans ATCC 10028B with an enantiomeric excess of 100%.

http://dx.doi.org/10.5935/0103-5053.20150174

Published online: July 17, 2015

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