Scielo RSS <![CDATA[Química Nova]]> http://www.scielo.br/rss.php?pid=0100-404220140007&lang=es vol. 37 num. 7 lang. es <![CDATA[SciELO Logo]]> http://www.scielo.br/img/en/fbpelogp.gif http://www.scielo.br <![CDATA[<b>Production and characterization of polyhydroxyalkanoates obtained by fermentation of crude glycerin from biodiesel</b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700001&lng=es&nrm=iso&tlng=es The aim of this study was to evaluate the production of polyhydroxyalkanoates (PHAs) by fermentation of Crude Glycerin, a byproduct of the biodiesel industry, by Cupriavidus necator IPT 026, 027 and 028. The influence of fermentation time and temperature in shake flasks were evaluated. The highest PHA production (2.82 g L-1) occurred at 35 ºC for 72 h of fermentation. The melting and initial thermal degradation temperatures of this PHA were 177.9 ºC and 306.33 ºC, respectively, with 55% crystallinity. FTIR spectrum was similar to those reported in literature. The polymer obtained presented three different methyl esters of hydroxyalkanoates in its composition, with molecular weight of 630 kDa. Bacteria can use Crude Glycerin as an inexpensive substrate to produce value-added biodegradable products, such as PHA. <![CDATA[<b>Study of the controlled release of ametryn herbicide using PVA</b>: <b>activated carbon composites</b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700002&lng=es&nrm=iso&tlng=es Herbicides have great importance in agricultural productivity for weed control, given their competition with crops. However, inadequate application of herbicides may lead to environmental problems, which can be minimized through controlled release of the active compounds. This may be achieved by protecting the herbicide in a structure with adequate porosity, where the diffusional behavior can determine release. Thus, in this study we evaluated a novel structure, a composite based on activated carbon bonded by polyvinyl alcohol (PVA) as pellets, to deliver a triazine herbicide. The product obtained was shown to be adequate for its purpose, since it was possible to process regular pellets, where the PVA percentage determined the properties. <![CDATA[<b>HPLC-DAD based method for the quantification of flavonoids in the hydroethanolic extract of <i>Tonina fluviatilis</i> Aubl. (Eriocaulaceae) and their radical scavenging activity</b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700003&lng=es&nrm=iso&tlng=es This article describes the isolation and identification of flavonoids in the hydroethanolic extract of the aerial parts from Tonina fluviatilis and evaluation of their antiradical activity. A method based on HPLC-DAD was developed and validated for detecting and quantifying flavonoids in hydroethanolic extracts. The flavonoids identified and quantified in the extract were 6,7-dimethoxyquercetin-3-O-β-D-glucopyranoside (1), 6-hydroxy-7-methoxyquercetin-3-O-β-D-glucopyranoside (2), and 6-methoxyquercetin-3-O-β-D-glucopyranoside (3). The developed method presented good validation parameters, showing that the results obtained are consistent and can be used in ensuring the quantification of these constituents in the extracts. Compounds 2 and 3 showed strong antiradical activity when compared with the positive controls (quercetin and gallic acid). <![CDATA[<b>Spectrophotometric determination of Sudan Blue II in environmental samples after dispersive liquid-liquid microextraction</b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700004&lng=es&nrm=iso&tlng=es A dispersive liquid-liquid microextraction procedure coupled to spectrophotometry is described for the determination of the trace levels of Sudan Blue II. Analytical parameters, such as pH, volume of extraction solvent (carbon tetrachloride), volume of dispersant (ethanol), volume of sample, and extraction time, were optimized. Matrix effects were also investigated. Preconcentration factor was found to be 200. Detection limit and relative standard deviation (RSD) were 0.55 µg L-1 and 3.9%, respectively. The procedure was successfully used for the determination of trace levels of Sudan Blue II in food, ink, antifreeze, and industrial waste-water samples. <![CDATA[<b>Synthesis, freeze-drying and characterization of <sup>57</sup>Fe(III) acetate</b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700005&lng=es&nrm=iso&tlng=es Iron(III) acetate was synthesized by the reflux method using iron enriched in the 57Fe isotope and the compound processed by freeze-drying. The as-synthesized and freeze-dried acetates were characterized regarding their structural, thermal, vibrational and hyperfine properties. Similar diffractometric and spectroscopic results were found for both materials and also for an industrial acetate made with natural iron. However, the microstructures differed: the as-synthesized compound showed flake morphology with micrometric dimensions, whereas the freeze-dried showed flake morphology with sub-micrometric dimensions. The activation energies for thermal decomposition, calculated from the exothermic events occurring in differential scanning calorimetry measurements, were 100.9 kJ/mol (as-synthesized) and 114.7 kJ/mol (freeze-dried). <![CDATA[<b><i>In vitro </i></b><b>antibacterial activity and toxicity toward <i>Artemia salina</i> Leach of some triazene compounds</b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700006&lng=es&nrm=iso&tlng=es Bacterial resistance to antibacterial agents is currently a major concern. We report the synthesis, in vitro antibacterial activity and toxicity toward Artemia salina of six diaryltriazene compounds bearing different substituent groups. Minimal Inhibitory Concentration (MIC) and Minimal Bactericidal Concentration (MBC) values against standard strains (ATCC) and clinical isolates (including ESBL, MBL and AmpC strains) were good to very good, in the range 8 to 128 mg mL-1. Results suggest that hydroxyl, 4-carboxyl and 4-phenyldiazenil groups attached to the diaryltriazenes provide enhanced activity. Toxicity results showed very low LC50 values for three compounds (10-fold lower than DTIC). <![CDATA[<b>Development and validation of a RP-HPLC method to determine the xanthyletin content in biodegradable polymeric nanoparticles</b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700007&lng=es&nrm=iso&tlng=es Xanthyletin is used as an inhibitor of the symbiotic fungus (Leucoagaricus gongylophorus) of the leaf-cutting ant (Atta sexdens rubropilosa), one of the most significant agricultural plague insects. The incorporation of this compound into nanoparticles is a promising approach to effectively control leaf-cutting ants. This study presents the development and validation of a specific analytical method using high-performance liquid chromatography (HPLC) for quantification of the xanthyletin content in biodegradable polymeric nanoparticles. The analytical methodology developed was specific, linear, accurate, precise, and robust. The absolute recovery of xanthyletin in colloidal suspensions was nearly 100%. The HPLC method proved reliable for the quantification of xanthyletin content in nanoparticle formulations. <![CDATA[<b>Chemical study and antiproliferative, trypanocidal and leishmanicidal activities of <i>Maxillaria picta</i></b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700008&lng=es&nrm=iso&tlng=es The chemical study of the orchid Maxillaria picta resulted in the isolation of the bioactive stilbenes phoyunbene B and phoyunbene C, in addition to four phenolic acids, one xanthone, steroidal compounds and two triterpenes. Crude extract, fractions, subfractions and the isolated xanthone were evaluated for anticancer activity against human tumor cell lines and against evolutionary forms of T. cruzi and L. amazonensis. The structures of the compounds were determined by GC-MS, and ¹H NMR, 13C NMR spectral methods as well as bidimensional techniques. <![CDATA[<b>Bismuth vanadate synthesized by solution combustion with different fuels</b>: <b>synthesis, characterization and study of photocatalytic activity</b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700009&lng=es&nrm=iso&tlng=es In this manuscript, a BiVO4 semiconductor was synthesized by solution combustion synthesis using different fuels (Alanine, Glycine and Urea). Also, the Tween® 80 surfactant was added during synthesis. BiVO4 was characterized by XRD, SEM and diffuse reflectance spectroscopy. Photocatalytic activity was evaluated by the discoloration of methylene blue at 664 nm under UV-visible light irradiation. According to XRD, the monoclinic phase of BiVO4 was obtained for the samples. The smallest particle size and highest k obs value were observed for the BiVO4/alanine sample, which promoted greater demethylation of methylene blue. <![CDATA[<b>Theoretical investigations of the bulk modulus in the tetra-cubic transition of PbTiO<sub>3</sub> material</b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700010&lng=es&nrm=iso&tlng=es Resulting from ion displacement in a solid under pressure, piezoelectricity is an electrical polarization that can be observed in perovskite-type electronic ceramics, such as PbTiO3, which present cubic and tetragonal symmetries at different pressures. The transition between these crystalline phases is determined theoretically through the bulk modulus from the relationship between material energy and volume. However, the change in the material molecular structure is responsible for the piezoelectric effect. In this study, density functional theory calculations using the Becke 3-Parameter-Lee-Yang-Parr hybrid functional were employed to investigate the structure and properties associated with the transition state of the tetragonal-cubic phase change in PbTiO3 material. <![CDATA[<b>Evaluation of digital image capture devices for colorimetric detection on printed microzones</b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700011&lng=es&nrm=iso&tlng=es This report describes a study about the feasibility of using a conventional digital camera, a cell-phone camera, an optical microscope, and a scanner as digital image capture devices on printed microzones. An array containing nine circular zones was drawn using graphics software and printed onto transparency film by a laser printer. Due to its superior analytical performance, the scanner was chosen for the quantitative determination of Fe2+ in pharmaceutical samples. The data achieved using scanned images did not differ statistically from those attained by the reference spectrophotometric method at the confidence level of 0.05. <![CDATA[<b>Determination of infinite dilution activity coefficient in ethanol-water-salt systems using spme-gc-fid</b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700012&lng=es&nrm=iso&tlng=es A new method using the headspace solid phase microextraction (HS-SPME) technique was used to evaluate the infinite dilute activity coefficient (γ1∞) in an alcohol/water/salt system. The studied systems were ethanol and water with NaCl and NH4Cl at salt concentrations of 5, 10, 15, and 30% m/v and temperatures of 303.15 and 313.15 K. The method was used to investigate the salt effect on vapor/liquid equilibrium in an ethanol/water system, yielding satisfactory results. The study focused on the rich side in ethanol. The data were compared with the literature infinite dilution data determined by other methods such as differential ebulliometry (EBUL), differential static cell equilibrium (STAT), and gas-liquid chromatography with no gas phase correction (GC). In this study, NaCl showed better separation rates than NH4Cl. <![CDATA[<b>Determination of triamterene in human plasma and urine after its cloud point extraction</b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700013&lng=es&nrm=iso&tlng=es A new analytical approach was developed involving cloud point extraction (CPE) and spectrofluorimetric determination of triamterene (TM) in biological fluids. A urine or plasma sample was prepared and adjusted to pH 7, then TM was quickly extracted using CPE, using 0.05% (w/v) of Triton X-114 as the extractant. The main factors that affected the extraction efficiency (the pH of the sample, the Triton X-114 concentration, the addition of salt, the extraction time and temperature, and the centrifugation time and speed) were studied and optimized. The method gave calibration curves for TM with good linearities and correlation coefficients (r) higher than 0.99. The method showed good precision and accuracy, with intra- and inter-assay precisions of less than 8.50% at all concentrations. Standard addition recovery tests were carried out, and the recoveries ranged from 94.7% to 114%. The limits of detection and quantification were 3.90 and 11.7 µg L-1, respectively, for urine and 5.80 and 18.0 µg L-1, respectively, for plasma. The newly developed, environmentally friendly method was successfully used to extract and determine TM in human urine samples. <![CDATA[<b>Variation of essential oil composition of <i>Tapirira guianensis</i> Aubl. (Anacardiaceae) from two sandbank forests, north of Brazil</b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700014&lng=es&nrm=iso&tlng=es Tapirira guianensis (Anacardiaceae) is used in traditional medicine and is important for the recovery of degraded areas and riparian forests because the T. guianensis fruits are highly consumed by wildlife. Volatile components from dried leaves and branches of five individual plants of T. guianensis were collected in two sandbank forests of the State of Pará (Extractive Reserve Maracanã and Area of Environmental Protection Algodoal/Maiandeua), extracted by hydrodistillation using a Clevenger-type apparatus, and analyzed by GC/MS. The ten oils obtained are comprised mostly of sesquiterpene hydrocarbons (58.49 to 100%), with (E)-caryophyllene, β-selinene, α-selinene, β-sesquiphellandrene, and α-zingiberene being the most prominent. The results of the oil compositions were processed by Hierarchical Component Analysis (HCA) allowing the establishment of three groups of essential oils for T. guianensis differentiated by the content of β-selinene/α-selinene (Type I), (E)-caryophyllene (Type II), and β-sesquiphellandrene/α-zingiberene (Type III). <![CDATA[<b>Physicochemical properties of lecithin-based nanoemulsions obtained by spontaneous emulsification or high-pressure homogenization</b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700015&lng=es&nrm=iso&tlng=es Nanoemulsions composed of a medium-chain triglyceride oil core stabilized by rapeseed or sunflower lecithins were prepared by spontaneous emulsification and high-pressure homogenization. These nanoemulsions are compared with formulations stabilized by egg lecithin. Nanoemulsions obtained by high-pressure homogenization display larger droplet size (230 to 440 nm) compared with those obtained by spontaneous emulsification (190 to 310 nm). The zeta potentials of the emulsions were negative and below -25 mV. Zeta potential inversion occurred between pH 3.0 and 4.0. The results demonstrate the feasibility of preparing lipid emulsions comprising rapeseed or sunflower lecithins by spontaneous emulsification and high-pressure homogenization. <![CDATA[<b>Environmental risk assessment of aquatic systems affected by pesticide use</b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700016&lng=es&nrm=iso&tlng=es Ecological risk assessment is a process evaluating the likelihood that adverse ecological effects may occur or are occurring as a result of exposure to one or more substances. Relevant information needed to predict risks from pesticides includes their physical chemical properties, mobility in soil, persistence in the environment, and bioaccumulation and toxicity in relevant organisms. Although currently a requirement for pesticide registration in Brazil, this process is not yet fully implemented in the country. This review aims to outline the principles of environmental risk assessment for pesticides, focusing on aquatic organisms, and to discuss the studies and efforts conducted in Brazil in this area. <![CDATA[<b>Bio-based nanocomposites obtained by incorporation of cellulose nanocrystals into biodegradable polymers through casting, layer-by-layer or electrospinning methods</b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700017&lng=es&nrm=iso&tlng=es This review reports the preparation and characterization of bionanocomposites based on biodegradable polymers reinforced with cellulose nanocrystals (CNC) described in the literature. The outstanding potential of cellulose nanocrystals as reinforcement fillers of biodegradable polymers is presented with an emphasis on the solution casting process, which is an appropriate method to investigate the physico-chemical effects of the incorporation of CNC into the polymeric matrices. Besides solution casting, other small scale methods such as electrospinning and layer-by-layer are also covered. <![CDATA[<b>Molybdenum disulfide, a multifunctional and remarkable material</b>: <b>twelve years on</b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700018&lng=es&nrm=iso&tlng=es In 2002, a review article was published in which molybdenum disulfide properties were discussed. The last sentence of the article read as follows: "Based on that described above, we can conclude that in spite of the vast applications of molybdenum disulfide in several industrial branches, many of the potential applications need to be investigated in the future". Since 2002, novel properties of molybdenum disulfide have been described which promise to revolutionize science. The objective of the present review paper was to provide an overview of the processes of 2H-MoS2 exfoliation and properties of the single layers, reported mainly in the last decade. <![CDATA[<b>Grape juice quality control by means of <sup>1</sup>H nmr spectroscopy and chemometric analyses</b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700019&lng=es&nrm=iso&tlng=es This work shows the application of ¹H NMR spectroscopy and chemometrics for quality control of grape juice. A wide range of quality assurance parameters were assessed by single ¹H NMR experiments acquired directly from juice. The investigation revealed that conditions and time of storage should be revised and indicated on all labels. The sterilization process of homemade grape juices was efficient, making it possible to store them for long periods without additives. Furthermore, chemometric analysis classified the best commercial grape juices to be similar to homemade grape juices, indicating that this approach can be used to determine the authenticity after adulteration. <![CDATA[<b>Measurement and interpretation of redox potential values (<i>E<sub>H</sub></i>) in environmental matrices</b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700020&lng=es&nrm=iso&tlng=es Direct measurements of Redox Potential (ORP) have been used to infer the degree of electrons availability in waters, wastewaters, sediments and soils. Although the interpretation of the results obtained in direct measurements is not trivial, this parameter is part of a list of compulsory determinations required by many Environmental State Agencies as well as consulting companies. Nonetheless, the vast majority of E H reported values are not corrected to the reference electrode used, what makes most of the data incomparable with the literature, and not suitable for a correct environmental diagnostics. <![CDATA[<b>"Pharaoh's Snakes"</b>: <b>history of a fun pyrotechnical experiment and its applicability in teaching basic chemical principles</b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700021&lng=es&nrm=iso&tlng=es Fun methodologies developed with alternative materials for teaching chemical reactions of carbon are interesting activities for discussing concepts of stoichiometry and thermochemistry. The decomposition of organic matter, CO2 production and coal formation can be demonstrated in the experiment "Pharaoh´s snake". This experiment is attractive since the simple combustion of sucrose generates a peculiar structure of coal. This paper proposes a simple methodology for making the sugar tablets used in the experiment and contextualizes the experimental observations with the chemical reaction of carbon which leads to coal and to the thermodynamics involving combustion processes. <![CDATA[<b>Alterations in inappropriately stored drugs</b>: <b>a strategy to develop investigative skills, scientific communication and interdisciplinarity in chemistry classes</b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700022&lng=es&nrm=iso&tlng=es The chemist must master a number of abilities. These include a solid knowledge of theory and the capacity to devise theoretical problems. The chemist is also expected to solve problems. In order to improve these abilities, this work aimed to evaluate several tools, such as the use of contextualization, problem-based learning and the interdisciplinary approach. In the methodology developed, undergraduate students had to investigate and propose a hypothesis, suggesting how physical changes took place in inappropriately stored drugs. The interdisciplinary approach is achieved by connecting public interest, chemistry, biology and pharmacology concepts. The tools can improve these abilities required for a well-prepared chemist. <![CDATA[<b>Use of modified V diagram as a report in theoretical and practical classes of general chemistry</b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700023&lng=es&nrm=iso&tlng=es In this article, we present data from a study in practical classes for General Chemistry. To this end, it was proposed to use a modified V diagram to replace traditional reporting. These reports consist of material commonly prepared in the subject, including introduction, materials and methods, results and discussion and conclusions. From the preparation of the modified V, the students were able to establish relationships between the theoretical and methodological aspects necessary for understanding the objects and events studied. Thus, student learning can be evaluated in light of the Theory of Meaningful Learning. <![CDATA[<b>Green chemistry</b>: <b>the evolution of a concept</b>]]> http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000700024&lng=es&nrm=iso&tlng=es The topic "Green Chemistry" has gained great importance over recent years, being quoted in an increasing number of publications. This fact shows how concern over developing "greener" processes has played a prominent role in the scientific community. In this context, the scope of this work encompasses an analysis of the evolution of the theme since its conception to the present. This analysis elucidates how bibliographic output on "Green Chemistry" is distributed worldwide. Moreover, the main journals on the subject were listed and ranked, according to impact factor.