Química Nova, Volume: 36, Issue: 8, Published: 2013
  • IUPAC 2017 no Brasil: uma conquista histórica Editorial

    Andricopulo, Adriano D.; Galembeck, Fernando; Ferreira, Vitor F.
  • Labile copper and zinc fractions under different salinity conditions in a shipyard area in the patos lagoon estuary, south of Brazil

    Costa, Luiza Dy Fonseca; Casartelli, Maria Regina de Oliveira; Wallner-Kersanach, Mônica

    Abstract in English:

    Copper and zinc are common elements in paint residues and can be toxic to estuarine organisms. This study aims to determine the labile dissolved and labile particulate fractions (LPFs) of copper and zinc in the estuarine waters of a shipyard in southern Brazil under different salinity levels and in different seasons. The labile dissolved fraction was determined using the diffusive gradient in thin-film (DGT) technique. The variations in DGT-Cu (0.22-1.05 µg L-1), DGT-Zn (0.54-18.39 µg L-1), LPF-Cu (1.22-3.77 µg g-1), and LPF-Zn (4.29-19.12 µg g-1) concentration were related to changes in their physico-chemical parameters and as a result of boat maintenance activities.
  • Chemical composition of volatiles from male and female specimens of Baccharis trimera collected in two distant regions of southern brazil: a comparative study using chemometrics

    Besten, Michele Aparecida; Nunes, Domingos Sávio; Wisniewski Jr., Alberto; Sens, Sávio Luis; Granato, Daniel; Simionatto, Edésio Luis; Scharf, Dilamara Riva; Dalmarco, Juliana Bastos; Matzenbacher, Nelson Ivo

    Abstract in English:

    GC/MS/FID analyses of volatile compounds from cladodes and inflorescences from male and female specimens of Baccharis trimera (Less.) DC. collected in the states of Paraná and Santa Catarina, Brazil, showed that carquejyl acetate was the primary volatile component (38% to 73%), while carquejol and ledol were identified in lower concentrations. Data were subjected to hierarchical cluster analysis and principal component analysis, which confirmed that the chemical compositions of all samples were similar. The results presented here highlight the occurrence of the same chemotype of B. trimera in three southern states of Brazil.
  • Cyanate ion decay and ethyl carbamate formation Artigo

    Silva, Alexandre Ataide da; Ohe, Thiago Hideyuki Kobe; Franco, Douglas Wagner

    Abstract in English:

    Cyanate ion stability was studied in aqueous/ethanolic solutions, pH = 4.5 (CH3COOH/NaCH3COO), at different temperatures. Following the decay [(OCN)-] versus time, in the presence of excess C2H5OH, the rate constant for this reaction (k1) was calculated as (2.5 ± 0.3) x 10-4 s-1 at 25 ºC, for 0 < [C2H5OH] < 13.7 x 10-1 mol L-1. For [C2H5OH] > 2.0 mol L-1 a decrease in the numerical value of k1 was observed, reaching 5.2 x 10-5 s-1 when [CH3CH2OH] = 13.7 mol L-1. Variations in the kinetic parameter values ΔH1‡, ΔS1‡ and ΔG1‡ for the cyanate ion decay reaction were observed for solutions at different ethanol concentrations.
  • Biosorption and removal of chromium from water by using moringa seed cake (Moringa oleifera Lam.)

    Meneghel, Ana Paula; Gonçalves Jr., Affonso Celso; Strey, Leonardo; Rubio, Fernanda; Schwantes, Daniel; Casarin, Juliana

    Abstract in English:

    This study evaluated the adsorption capacity of chromium from contaminated aqueous solutions by using Moringa oleifera Lam. seeds. Parameters such as solution pH, adsorbent mass, contact time between solution and adsorbent, isotherms, thermodynamic, kinetics, and desorption were evaluated. The maximum adsorption capacity (Qm) calculated to be 3.191 mg g-1 for the biosorbent. Activated carbon was used for comparison purposes in addition to the biosorbent. The best fit was obtained by the Langmuir model for both adsorbents. The average desorption value indicated that both the biosorbent and activated carbon have a strong interaction with the metal. The results showed that the biosorbent has advantages owing to its low cost and efficiency in Cr3+ removal from contaminated waters.
  • Chemical constituents of Solanum buddleifolium Sendtn Artigo

    Pinto, Francisco das Chagas L.; Torres, Maria da Conceição M.; Silveira, Edilberto R.; Pessoa, Otília Deusdênia L.; Braz-Filho, Raimundo; Guedes, Maria Lenise da Silva

    Abstract in English:

    The chemical investigation of the stem EtOH extract of S. buddleifolium resulted in the isolation of terpenoids, amides, lignans and a steroidal alkaloid. Based on HRMS, IR and ¹H and 13C NMR data analysis, the structures of the isolated compounds were identified as: 13-hydroxysolavetivone, betulinic acid, N-trans-caffeoyltyramine, N-trans-feruloyldopamine, N-trans-p-cumaroyltyramine, N-trans-feruloyltyramine, N-trans-feruloyl3'-O-methoxydopamine, alangilignoside C, isolariciresinol, polistachiol, (+)-(8R,7'S,8'S)-3α-O-(β-D-glucopiranosyl)-lioniresinol, (-)-(8S,7'R,8'R)-3α-O-(β-D-glucopiranosyl)-lioniresinol and solamargine. The occurrence of terpenoids and amides is common in Solanum, unlike lignans which are rare. The isolated lignans described in this work are reported for the first time in the genus Solanum.
  • Characterization and catalytic performance of potassium loaded on rice husk silica and zeolite nay for transesterification of jatropha seed oil

    Montalbo, Kathrina D.; Leon, Rizalinda L. de; Sophiphun, Onsulang; Manadee, Saowanee; Prayoonpokarach, Sanchai; Wittayakun, Jatuporn

    Abstract in English:

    Rice husk silica (RHS) and NaY were used as supports for potassium (K) prepared from acetate buffer (B) and acetate (A) solutions. K loading did not destroy the NaY structure, but it caused a decrease in the surface area; the K species resided in micropores and on the external surface. In contrast, K loading resulted in the collapse and a decrease in the surface area of RHS. It was found that 12K/NaY-B was the most active catalyst for the transesterification of Jatropha seed oil. The minimum K content in K/NaY-B that provided complete conversion of the Jatropha seed oil was 11 wt%, and the biodiesel yield was 77.9%.
  • Formulation and characterization of poloxamer 407®: thermoreversible gel containing polymeric microparticles and hyaluronic acid

    Pereira, Gabriela Garrastazu; Dimer, Frantiescoli Anversa; Guterres, Sílvia Stanisçuaki; Kechinski, Carolina Pereira; Granada, Jonas Eichelberger; Cardozo, Nilo Sérgio Medeiros

    Abstract in English:

    The influence of the composition and preparation method on the sol-gel transition temperature (Tsol-gel) and rheological response of poloxamer-based formulations was determined. Manual and more complex mechanical stirring were found to provide similar results. In addition, a linear dependence of Tsol-gel on the poloxamer content was observed in the range of concentrations analyzed, and a Poloxamer 407® concentration of 18% was selected. The addition of hyaluronic acid did not lead to significant changes in the Tsol-gel values. In contrast, the addition of microparticles caused a reduction in Tsol-gel without a significant reduction in gel strength, and pseudoplastic characteristics were observed, indicating that a thermoreversible gel was obtained with a rheology suitable for application in the treatment of burn wounds.
  • Phosphorus in chronosequence of burnt sugar cane in cerrado: humic acid analysis by 31P NMR Artigo

    Rossi, Celeste Q.; Pereira, Marcos G.; García, Andrés C.; Perin, Adriano; Gazolla, Paulo R.; González, Antonio P.

    Abstract in English:

    The aim of this study was to identify, with the use of 31P NMR spectroscopy, organic P species in humic acids (HA) in samples from Oxisol cultivated in chronosequence with sugar cane, pasture and Cerrado. The main forms of P-type found were orthophosphate, monoester-P (phosphate sugars) and P-diester (orthophosphate). The 31P NMR technique proved capable of identifying changes in the areas studied as a function of sugar cane burning time. In areas with 1 and 5 years of burnt cane, a decrease in recalcitrant organic P in humic acids indicated the need for use of P-humic substances for plant nutrition.
  • Preparation, characterization and application of C8 type stationary phases modified by metallic oxides for liquid chromatography Artigo

    Goraieb, Karen; Bueno, Maria Izabel M. S.; Collins, Carol H.; Collins, Kenneth E.

    Abstract in English:

    This work describes three C8-stationary phases for high performance liquid chromatography based on silica metallized with ZrO2, TiO2 or Al2O3 layers, having poly(methyloctylsiloxane) immobilized onto their surfaces. The stationary phases were characterized using XRF, XAS, FTIR, SEM and elemental analysis to determine the physical characteristics of the oxide and polysiloxane layers formed on the surfaces and chromatographically to evaluate the separation parameters. The results show the changes on the silica surface and allowed proposing a structure for the oxide layer, being observed tetrahedral and octahedral structures, what is completely new in the literature. The formation of a homogeneous layer of metallic oxide (TiO2 and ZrO2) was observed on the silica. The C8-titanized and C8-aluminized stationary phases presented good chromatographic performances, with good values of asymmetry and efficiency. All stationary phase presented few loss of the polymeric layer after the HPLC, indicating that this layer is well attached on the metalized support.
  • Biossorção passiva de cromo (VI) através da microalga Spirulina platensis Artigo

    Dal Magro, Clinei; Deon, Maitê Carla; Thomé, Antônio; Piccin, Jeferson Steffanello; Colla, Luciane Maria

    Abstract in English:

    Effluents containing toxic metals are dangerous and more economical, efficient and environmentally friendly treatments must be studied, with the biosorption process with microbial biomass constituting an efficient solution. Thus, the ability of Spirulina platensis biomass for removing chromium (VI) using passive and active biosorption was evaluated. Inactive microalgae biomass and synthetic solution containing chromium (VI) were used to evaluate important factors in the process and biomass biosorption ability. Results of the experiments showed that microalgae have potential for biosorption of chromium (VI), attaining removal of 100.39 mg g-1, and that pH was the variable with the greatest influence on the process.
  • A reliable method of quantification of trace copper in beverages with and without alcohol by spectrophotometry after cloud point extraction

    Gürkan, Ramazan; Altunay, Nail

    Abstract in English:

    A new cloud point extraction (CPE) method was developed for the separation and preconcentration of copper (II) prior to spectrophotometric analysis. For this purpose, 1-(2,4-dimethylphenyl) azonapthalen-2-ol (Sudan II) was used as a chelating agent and the solution pH was adjusted to 10.0 with borate buffer. Polyethylene glycol tert-octylphenyl ether (Triton X-114) was used as an extracting agent in the presence of sodium dodecylsulphate (SDS). After phase separation, based on the cloud point of the mixture, the surfactant-rich phase was diluted with acetone, and the enriched analyte was spectrophotometrically determined at 537 nm. The variables affecting CPE efficiency were optimized. The calibration curve was linear within the range 0.285-20 µg L-1 with a detection limit of 0.085 µg L-1. The method was successfully applied to the quantification of copper in different beverage samples.
  • A general A³: coupling reaction based on functionalized alkynes Artigo

    Wendler, Edison P.; Santos, Alcindo A. Dos

    Abstract in English:

    A range of hydroxypropargylpiperidones were efficiently obtained by a one-pot three-component coupling reaction of aldehydes, alkynols, and a primary amine equivalent (4-piperidone hydrochloride hydrate) in ethyl acetate using copper(I) chloride as a catalyst. The developed protocol proved to be equally efficient using a range of aliphatic aldehydes, including paraformaldehyde, and using protected and unprotected alkynols.
  • Straightforward synthesis of 2,2,4,4,5,7,7-d7-cholestane: a new deuterated standard in petroleum analysis

    Miranda, Maicon Guerra de; Albert, Andre Luis Mazzei; Cardoso, Jari Nobrega; Lopes, Rosangela Sabbatini Capella; Lopes, Claudio Cerqueira

    Abstract in English:

    A short and efficient synthesis of heptadeuterated 2,2,4,4,5,7,7-d7-cholestane (1) from cholesterol (3) is described. The deuterated material will be useful for the analysis of different sources of petroleum in analytical geochemistry laboratories as internal standard for quantification of steranes via gas chromatography-mass spectrometry (GC-MS).
  • Production of concentrated fatty acids by hydrolysis of vegetable oils catalyzed by plant lipase Artigo

    Coelho, Adriane D.; Santos, Kádima C.; Domingues, Rui C. C.; Mendes, Adriano A.

    Abstract in English:

    The aim of this work was to verify the ability of enzymatic crude extract from dormant castor bean seeds to yield concentrated fatty acids by hydrolysis of polyunsaturated vegetable oils such as corn and sunflower. The enzymatic extract exhibited higher activity towards corn oil, which was selected for further studies to determine optimum hydrolysis conditions by factorial design. Maximum hydrolysis percentage (≈84%) was reached at 60% wt. oil:buffer acetate 100 mM pH 4.5, 33 ºC and 5.0% wt. of crude extract after 70 min of reaction. These results suggest that the use of low-cost lipase from castor bean seeds has potential for oil hydrolysis.
  • [RETRACTION] Adsorption of a copper(II) Complex on calcium phosphate intercalated with 4-aminobenzoic acid - synthesis and electrochemical investigation

    Silva, Camila F. N.; Souza, Fernando M. de; Santos, Jéssica P.; Dias, Ana Paula B.; Santana, Ana Paula R.; Lazarin, Angélica M.; Sernaglia, Rosana L.; Andreotti, Elza I. S.; Airoldi, Claudio
  • Hydrogen production by alkaline water electrolysis

    Santos, Diogo M. F.; Sequeira, César A. C.; Figueiredo, José L.

    Abstract in English:

    Water electrolysis is one of the simplest methods used for hydrogen production. It has the advantage of being able to produce hydrogen using only renewable energy. To expand the use of water electrolysis, it is mandatory to reduce energy consumption, cost, and maintenance of current electrolyzers, and, on the other hand, to increase their efficiency, durability, and safety. In this study, modern technologies for hydrogen production by water electrolysis have been investigated. In this article, the electrochemical fundamentals of alkaline water electrolysis are explained and the main process constraints (e.g., electrical, reaction, and transport) are analyzed. The historical background of water electrolysis is described, different technologies are compared, and main research needs for the development of water electrolysis technologies are discussed.
  • Ion imprinted polymers: fundamentals, preparation strategies and applications in analytical chemistry Revisão

    Marestoni, Luiz Diego; Sotomayor, Maria Del Pilar Taboada; Segatelli, Mariana Gava; Sartori, Lucas Rossi; Tarley, César Ricardo Teixeira

    Abstract in English:

    Chemical imprinting technology has been widely used as a valuable tool in selective recognition of a given target analyte (molecule or metal ion), yielding a notable advance in the development of new analytical protocols. Since their discovery, molecularly imprinted polymers (MIPs) have been extensively studied with excellent reviews published. However, studies involving ion imprinted polymers (IIPs), in which metal ions are recognized in the presence of closely related inorganic ions, remain scarce. Thus, this review involved a survey of different synthetic approaches for preparing ion imprinted adsorbents and their application for the development of solid phase extraction methods, metal ion sensors (electrodes and optodes) and selective membranes.
  • Validation of the acetonitrile-free analytical method for microcystin analysis by high performance liquid chromatography Nota Técnica

    Cassini, Sérvio Túlio Alves; Antunes, Paulo Wagner Pereira; Keller, Regina

    Abstract in English:

    Blooms of cyanobacteria represent a public health risk due to their cyanotoxins such as microcystins. Liquid chromatography techniques to separate and quantify microcystins invariably use acetonitrile as the organic component of the mobile phase. The price and availability of acetonitrile together with its elevated toxicity encourage the validation of acetonitrile-free methods of microcystin analysis. In this work, methanol was employed as the organic solvent of the mobile phase and the validation method was performed with different environmental water samples. The method showed limits of detection between 0.17 and 0.25 µg/L and of quantification between 0.55 and 0.82 µg/L for the microcystin variants: -RR, -YR, -LR, -LA.
  • Quantification of beta-lactam antibiotics in veterinary drugs: amoxicillin and ampicillin determination by high performance liquid chromatography

    Miguel, Gabriela Coelho; Orlando, Eduardo Adilson; Simionato, Ana Valéria Colnaghi

    Abstract in English:

    This work focused on the development and validation of an RP-HPLC-UV method for quantification of beta-lactam antibiotics in three pharmaceutical samples. Active principles analyzed were amoxicillin and ampicillin, in 3 veterinary drugs. Mobile phase comprised 5 mmol L-1 phosphoric acid solution at pH 2.00, acetonitrile with gradient elution mode and detection wavelength at 220 nm. The method was validated according to the Brazilian National Health Surveillance regulation, where linear range and linearity, selectivity, precision, accuracy and ruggedness were evaluated. Inter day precision and accuracy for pharmaceutical samples 1, 2 and 3 were: 1.43 and 1.43%; 4.71 and 3.74%; 2.72 and 1.72%, respectively, while regression coefficients for analytical curves exceeded 0.99. The method had acceptable merit figure values, indicating reliable quantification. Analyzed samples had active principle concentrations varying from -12 to +21% compared to manufacturer label claims, rendering the medicine unsafe for administration to animals.
  • Application of cholesterol determination method to indirectly detect meat and bone meals in ruminant feeds

    Bandeira, Cecília M.; Ferreira, José M.; Nogueira, Gislaine C.; Bragagnolo, Neura; Veado, Júlio C. C.; Sanches, Ronaldo L.

    Abstract in English:

    The aim of this study was to verify the presence of meat and bone meal (MBM) in ruminant feed, by identifying the cholesterol using gas chromatography with a flame ionization detector. The proposed method demonstrated precision, trueness, and capability to detect MBM in the ruminant feed.
  • Kinetic modeling of the biosorption of Cd2+ ions from aqueous solutions onto Eichhornia crassipes roots using potentiometry: low-cost alternative to conventional methods

    Martínez-Sánchez, Carolina; Torres-Rodríguez, Luz María; García de la Cruz, Ramón Fernando

    Abstract in English:

    This work presents the use of potentiometric measurements for kinetic studies of biosorption of Cd2+ ions from aqueous solutions on Eichhornia crassipes roots. The open circuit potential of the Cd/Cd2+ electrode of the first kind was measured during the bioadsorption process. The amount of Cd2+ ions accumulated was determined in real time. The data were fit to different models, with the pseudo-second-order model proving to be the best in describing the data. The advantages and limitations of the methodology proposed relative to the traditional method are discussed.
  • Use of "Arduino" open source hardware for solenoid device actuation in flow analysis systems Nota Técnica

    Kamogawa, Marcos Y.; Miranda, Jeová Correia

    Abstract in English:

    This paper describes the use of the open source hardware platform, denominated "Arduino", for controlling solenoid valves for solutions handling in flow analysis systems. System assessment was carried out by spectrophotometric determination of iron (II) in natural water. The sampling rate was estimated as 45 determinations per hour and the coefficient of variation was lower than 3%. Per determination, 208 µg of 1-10-phenanthroline and ascorbic acid were consumed, generating 1.3 mL of waste. "Arduino" proved a reliable microcontroller with low cost and simple interfacing, allowing USB communication for solenoid device switching in flow systems.
  • Contextualizing acid-base reactions according to Brönsted-Lowry protonic theory using propranolol and nimesulide tablets Educação

    Gonsalves, Arlan de Assis; Araújo, Cleônia Roberta Melo; Leite Filho, Carlos Alberto; Medeiros, Felipe Santana de

    Abstract in English:

    This paper reports the use of alternative materials for teaching experimental chemistry. In this context, nimesulide and propranolol tablets were used to teach chemical concepts about acid-base reactions according to Brönsted-Lowry protonic Theory. Important topics of Organic, Analytical and Pharmaceutical Chemistry were discussed, such as purification by acid-base extraction, solubility of organic compounds in aqueous solutions, buffers, the dissociation constant (pKa), potentiometric titration and ionization of drugs in biological fluids. The purification of propranolol and nimesulide from tablets produced yields of 75% and 90%, respectively. The experimental values of pKa for both drugs were in agreement with those from the literature.
  • Exploring teachers' perceptions on visualization resources in chemistry teaching Educação

    Vasconcelos, Flávia Cristina Gomes Catunda de; Arroio, Agnaldo

    Abstract in English:

    Taking into account the requirements for the teaching of chemistry, several visualization resources (software, videos, animations, molecular models, among others) are available. These visual aids are used in order to enhance the understanding of chemical phenomena in the classroom. However, many teachers make scant use of these resources, limiting macroscopic understanding of chemical science. Thus, this article discusses chemistry teachers' views on several aspects such as using visual aids in teaching chemistry, a resource most widely used in classes on atomic models, isomerism and spatial geometry.
  • Organic compound solubility Educação

    Martins, Cláudia Rocha; Lopes, Wilson Araújo; Andrade, Jailson Bittencourt de

    Abstract in English:

    The solubility of organic compounds is a topic of great importance in chemistry and of interest in several areas, such as materials, drugs and the environment. In this paper, the solubility of these species is discussed in terms of their properties, such as the predominant type of chemical bond, molecular structure, polarity and types of intermolecular interactions. Examples of biological processes fundamental for sustainability of life and related with the solubility of chemical species are presented and discussed.
  • Chemistry and philosophy: towards a fruitful collaboration Assuntos Gerais

    Labarca, Martín; Bejarano, Nelson; Eichler, Marcelo Leandro

    Abstract in English:

    This review seeks to present a brief history of the philosophy of chemistry and the major issues discussed in the framework of this emerging discipline of philosophy of science, such as the question of physicalist reductionism and physical and chemical causality. In this vein, it also addresses the current debate over relevant issues of chemical world such as atomic orbitals, molecular structure, chemical bonding, models and explanations, as well as the foundations of the periodic table. Finally, the importance of the link between the philosophy of chemistry and chemistry education is analyzed, especially in relation to teacher training.
  • Dangerous chemical products used in teaching laboratories: proposed system and examples for indicating their hazards on labels Assuntos Gerais

    Wallau, W. Martin; Santos, Aline J. R. Wohlmuth Alves dos

    Abstract in English:

    Typically hundreds of different chemical products stored in small flasks which cannot accommodate labels large enough to bear all information required by the Globally Harmonised System of Classification, Labelling and Packaging of Chemicals (GHS) are used in academic laboratories. To overcome this restriction Brazilian legislation permits communication of the dangers of chemical products to trained laboratory workers/students by alternative means. Here we describe an alternative label system, developed by the German Social Accident Insurance (DGUV), which allows hazard communication to trained workers/students via a labelling system, using pictograms and highly condensed hazard statements to alert about dangerous chemical products.
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