Logomarca do periódico: Química Nova

Open-access Química Nova

Publication of: Sociedade Brasileira de Química
Area: Exact And Earth Sciences
ISSN printed version: 0100-4042
ISSN online version: 1678-7064
Creative Common - by 4.0

Table of contents

Química Nova, Volume: 30, Issue: 8, Published: 2007

Química Nova, Volume: 30, Issue: 8, Published: 2007

Document list
Editorial
Cadore, Solange
Artigo
Potential application of solar/photo-fenton process for the pre-treatment of wastewater from dairy industry Villa, Ricardo Dalla Silva, Milady R. Apolinário da Nogueira, Raquel F. Pupo

Abstract in English:

Dairy wastewater is characterized by frequent episodes of drastic increases of organic content, giving rise to bulking filamentous bacteria and compromising the biological treatment process. This study reports the reduction of organic content of such wastewater by the application of the solar photo-Fenton process. For a wastewater containing 335, 2627 or 5400 mg C L-1 between 90% and 50% of the organic carbon content were removed after 3.5 h irradiation. The results show that the solar photo-Fenton process can be a good alternative for the abatement of organic content of dairy wastewater, especially in cases of organic content fluctuation, allowing an efficient biological treatment.
Artigo
Nitrate (NO3-) and ammonium (NH4+) contents in the Barreiras aquifer waters in the districts of Reduto, Nazaré and Umarizal - Belém, PA Cabral, Natalina Maria Tinôco

Abstract in English:

This paper evaluates the occurrence of nitrate and ammonium in the Barreiras aquifer in the metropolitan area of Belém, Pará State, Brazil. The results show that some wells display ammonium and nitrate concentrations above or close to the limits of water potability regulations. The main cause of the pollution of these waters is related the local disposal of domestic effluents and/or leakage from pipes of old sewage systems.
Artigo
Isolation and cytotoxicity evaluation of some oxoaporphine alkaloids from annonaceae Silva, Denise Brentan da Matos, Maria de Fátima Cepa Nakashita, Simone T. Misu, Carina K. Yoshida, Nídia Cristiane Carollo, Carlos Alexandre Fabri, João Roberto Miglio, Hércules da Silva Siqueira, João Máximo de

Abstract in English:

A different methodology was used to isolate and purify oxoaporphine alkaloids, as they are difficult to separate by the usual workup when in mixture. Alkaloid extracts from Annonaceae species were obtained by base/acid extraction. The extracts were concentrated and submitted to partition in solutions of acids of different pKa values, followed by separation by preparative TLC using 1 mm thick silica gel impregnated with oxalic acid (11.2% w/w). Liriodenine, lisycamine, lanuginosine, and O-methylmoschatoline were obtained and tested against tumoral cells (line Hep2, ATCC-CCL 23, larynx carcinoma). Only O-methylmoschatoline (IC50 12.4 µM) was more active than cisplatin (18.0 µM).
Artigo
Reduction kinetics of A CuO/ZnO/Al2O3 catalyst Nele, Marcio Moreno, Esteban Lopez Andrade, Heloysa Martins Carvalho

Abstract in English:

The reduction kinetics of a CuO/ZnO/Al2O3 catalyst by hydrogen was investigated isothermally and by temperature programmed reduction (TPR). Two reducible Cu2+ species were detected; the first one was identified as CuO bulk and the other as Cu2+ strongly interacting with alumina, possibly in the form of copper aluminate. The activation energies for the reduction of these two species were 60 and 90 kJ mol-1, respectively, and the reaction order with respect to hydrogen was one. The isothermal reduction data showed that the isotropic growth model is the most appropriate to describe the reaction rate data for both Cu2+ species.
Artigo
The chemical metrology approach for toxicological analysis in horseracing: validation of an analytical method for the determination of caffeine in biological matrices Lima, India Maria H. de Frota, Maurício N.

Abstract in English:

This paper proposes an alternate method to detect forbidden doping substances present in biological matrices of horseracing. The method was fully validated for caffeine, identified as the most frequent forbidden substance in the analysis conducted by the Antidoping Laboratory of the Brazilian Jockey Club, which adopts a zero threshold limit according to national and international horseracing practices. The metrological reliability of the method applied to toxicological analysis in biological matrices is discussed. Although the analytical method proposed for detection of a zero threshold level of the doping substance is qualitative, it was validated for the determination of the limiting value (also known as quantification limit value) introducing a criterion that prevents the issuing of incorrect results ("false-positives" and "false-negatives").
Artigo
Degradation of Padron® by photochemical processes using artificial and sunlight radiation Teixeira, Silvio César Godinho Canela, Maria Cristina

Abstract in English:

Destruction of Padron® (dye and picloram) was evaluated using a photoreactor and a solar reactor. Photolysis was observed using only a germicide lamp (GL). Black light (BL) and H2O2 (172 mmol L-1) promoted a conversion of 49% and 6% of dye and picloram, respectively. Photocatalytic processes were more efficient using TiO2/GL (96%-dye; 60%-picloram) than TiO2/BL (44%-dye; 40%-picloram). Photolysis using sunlight was not observed during PadronÒ recirculation in the reactor constructed with four borosilicate tubes. Meanwhile, adding H2O2 resulted in 12% conversion of dissolved organic compounds. Finally, the most efficient mineralization (60%) was obtained using the Fenton reaction ( H2O2-176 mmol L-1; FeSO4x6H2O-90 mmol L-1) and sunlight.
Artigo
Assessment of fish farming effects on aquatic systems in Assis and Candido Mota, São Paulo, by using a water quality index and multivariate statistical analysis Simões, Fabiano dos Santos Yabe, Maria Josefa dos Santos Moreira, Altair B. Bisinoti, Márcia Cristina

Abstract in English:

In this work, the impact of fish farming activities on the Queixada, Macuco and Pari-Veado Rivers in the Paranapanema watershed was evaluated. Physical, chemical and microbiological parameters were quantified in these aquatic systems followed by application of multivariate statistical analysis (MSA) and water quality index (WQI) tools. Watersheds where fish farming activities are predominant presented WQI > 52 indicating good quality, whereas MSA demonstrated bad quality for these aquatic bodies. The results showed that the degradation in this watershed follows the fish farming activity. The MSA index is more restricted than the "National Foundation Sanitation" (NFS) index routinely used to infer water quality.
Artigo
Atmospheric deposition of ammonium, nitrate ans sulfate on the montane dense ombrophilous forest in Serra dos Órgãos, RJ Rodrigues, Renato de Aragão Ribeiro Mello, William Zamboni de Souza, Patricia Alexandre de

Abstract in English:

Wet and dry (dust) deposition was measured in the Serra dos Órgãos National Park. VWM pH was 5.3. Non-sea-salt (nss) SO4(2-) comprised 97% of total SO4(2-). The molar ratio [2(nss-SO4(2-)) + NO3-]/[NH4+ + H+] was 1.1, suggesting that pH is predominantly controlled by H2SO4, HNO3, and NH3. Wet deposition of NH4+, NO3-, and nss-SO4(2-) was respectively 0.59, 0.25, and 0.30 kmol ha-1 yr-1. Assuming that dry deposition of N can comprise 30-50% of its total (dry + wet) deposition, the latter is estimated to be 1.2-1.7 kmol ha-1 yr-1 (17-24 kg N ha-1 yr-1).

Enhanced triterpene production in Tabernaemontana catharinensis cell suspension cultures in response to biotic elicitors Pereira, Paulo Sérgio Ticli, Fábio Kiss França, Suzelei de Castro Breves, Camila Moniz de Souza Lourenço, Miriam Verginia

Abstract in English:

Cell suspension cultures of Tabernaemontana catharinensis were treated with autoclaved homogenates of Candida albicans, Fusarium oxysporum, Penicillium avelanium and Saccharomyces cerevisiae. The effects caused by the concentration, exposure time and the type of elicitor on the accumulation of pentacyclic triterpenes were monitored. When exposed to biotic elicitors for longer periods, some cell lines redoubled the production of those triterpenes. Saccharomyces cerevisiae homogenate was the best elicitor of triterpenes in all cell lines investigated.
Artigo
Synthesis of hydroxyapatite and structural refinement by x-ray diffraction Araújo, Jorge Correa de Sena, Lídia Bastos, Ivan Napoleão Soares, Glória Dulce de Almeida

Abstract in English:

A sample of hydroxyapatite was synthesized and its crystalline structure was analyzed by X-ray diffraction by means of the Rietveld method. Two functions were used to fit the peak profiles, modified Voigt (TCHZ) and Pearson VII. The occupational factors and lattice parameters obtained by both models show that the sample does not contain relevant cationic substitutions. The interatomic distances from Ca1 to oxygens O1, O2 and O3 were adequate for a pure hydroxyapatite without defect at site Ca1. Besides, the use of multiple lines in planes (300) and (002) associated with the model Pearson VII resulted in good agreement with the TCHZ model with respect to the size-strain effectswith an ellipsoidal shape of crystallites. In conclusion, the procedures adopted in the synthesis of hydroxyapatite produced a pure and crystalline material. The experimental results of transmission electron microscopy confirmed the predicted shape of crystals.
Artigo
Pretreatment of sugarcane molasses and corn steep liquor for the production of carotenoids Valduga, Eunice Valério, Alexsandra Treichel, Helen Luccio, Marco Di Jacques, Rosângela Assis Fúrigo Júnior, Agenor

Abstract in English:

This work studied the pretreatment of sugarcane molasses (CM) and corn steep liquor (CS) for the production of carotenoids by Sporidiobolus salmonicolor (CBS 2636). The acid pretreatment removed less micronutrients than that with activated carbon and led to high removals of Cu and Mn. Reduction in optical density of the prepared medium and removal of glucose from it were 22% and 7% for CM and 95% and 38% for CS, respectively. Total carotenoids obtained with substrates pretreated with acids (541 mg/L) were higher than the results obtained when the medium was treated with activated carbon (208 mg/L).
Artigo
Diversity of polyketides produced by Penicillium species isolated from Melia azedarach and Murraya paniculata Pastre, Renata Marinho, Andrey M. R. Rodrigues-Filho, Edson Souza, Antônia Q. L. Pereira, José Odair

Abstract in English:

Eight compounds comprising four groups of polyketides, the xanthone fusarindin, the mixed peptide alkaloid-polyketide GKK1032, the anthraquinones crisophanol, citreoveridin and janthinone, and the azaphylones dihydrocitrinone, citrinin and citrinin H-1, were identified in Penicillium species isolated as endophytic fungi from Melia azedarach and Murraya paniculata. The antibacterial activity of the azaphylones was tested and showed that citrinin H-1 is more active than citrinin.
Artigo
Investigation of the occurrence of pesticide residues in rural wells and surface water following application to tobacco Bortoluzzi, Edson C. Rheinheimer, Danilo S. Gonçalves, Celso S. Pellegrini, João B. R. Maroneze, Aline M. Kurz, Márcia H. S. Bacar, Nádia M. Zanella, Renato

Abstract in English:

In this work the exposure of wells and surface water to pesticides, commonly used for tobacco cropping, was assessed. Water consumption wells and surface water flows were sampled at different times. After a preconcentration step with solid phase extraction (SPE), the selected pesticides were determined by gas chromatography with electron capture detection (GC-ECD) or high performance liquid chromatography with diode array detection (HPLC-DAD). No pesticides were detected in the well water samples and surface water flow in the winter season. However, in the spring and summer higher concentrations of chlorpyrifos and imidacloprid were found in the water source samples. Atrazine, simazine and clomazone were also found. The occurrence of pesticides in collected water samples was related with the application to tobacco.
Artigo
Chemical constituents from bark of Cenostigma macrophyllum: cholesterol occurrence Rocha e Silva, Hilris Silva, Carmem Cícera Maria da Neto, Laurentino Batista Caland Lopes, José Arimatéia Dantas Citó, Antonia Maria das Graças Lopes Chaves, Mariana H.

Abstract in English:

Phytochemical investigation of the bark of Cenostigma macrophyllum (Leguminosae-Caesapinioideae) resulted in the isolation and identification of valoneic acid dilactone, ellagic acid, lupeol, alkyl ferulate, four free sterols (cholesterol, campesterol, stigmasterol and sitosterol), a mixture of sitosteryl ester derivatives of fatty acids, sitosterol-3-O-beta-D-glucopyranoside, stigmasterol-3-O-beta-D-glucopyranoside and saturated and unsaturated fatty acids. The structures of the isolated compounds were identified by ¹H and 13C NMR spectral analysis and comparison with literature data. The mixtures of 3-beta-hydroxysterols and fatty acids were analysed by GC/MS.
Artigo
Abitane diterpenoids isolation from Plectranthus barbatus Albuquerque, Roberto L. de Kentopff, Marta R. Machado, Maria Iracema L. Silva, Maria Goretti V. Matos, Francisco José de A. Morais, Selene M. Braz-Filho, Raimundo

Abstract in English:

Plectranthus barbatus is largely used in the Northeast region of Brazil by the local population for treatment of digestive problems as substitute of boldo (Pneumus boldus). Phytochemical analysis of the leaf extracts of Plectranthus barbatus (Labiatae) cultivated in this region yielded two abietane diterpenoids, cyclobubatusin (1) and barbatusin (2) and a new one named 7beta-acetyl-12-deacetoxycyclobutatusin (3). The structures of the isolated compounds were established by spectral analysis, using mainly mass spectra and ¹H and 13CNMR (1D and 2D). These procedures permitted the assignment of all chemical shifts in the diterpenoids.
Artigo
New constituents from the trunk bark of Tabebuia heptaphylla Garcez, Fernanda Rodrigues Garcez, Walmir Silva Mahmoud, Talal Suleiman Figueiredo, Patrícia de Oliveira Resende, Ubirazilda Maria

Abstract in English:

A new triterpene, 3beta,6beta,21beta-trihydroxyolean-12-ene and a new iridoid, 8alpha-methyl-8beta-hydroxy-6beta-(3',4'-dimethoxy)benzoyloxy-1 alpha,3alpha-dimethoxy-octahydro-cyclopenta[c]pyran were isolated from the trunk bark of a specimen of Tabebuia heptaphylla (Bignoniaceae) collected in the "Pantanal" of Mato Grosso do Sul, Brazil. Twelve known compounds were also obtained in this work, comprising four iridoids, 6-O-p-hydroxybenzoylajugol, 6-O-p-methoxybenzoylajugol, 6-O-3",4"-dimethoxybenzoylajugol, 8alpha-methyl-8beta-hydroxy-6beta-(4'-hydroxy)benzoyloxy-1alpha,3 alpha-dimethoxy-octahydro-cyclopenta[c]pyran, a cyclopentene dialdehyde, 2-formyl-5-(3',4'-dimethoxybenzoyloxy)-3-methyl-2-cyclopentene-1-acetaldehyde, a phenylethanoid glycoside, verbascoside and three benzoic acid derivatives, p-hydroxybenzoic, p-methoxybenzoic and 3,4-dimethoxybenzoic acids, in addition to squalene, sitostenone and sitosterol. The antioxidant properties of the isolated compounds were also evaluated in this work.
Artigo
Development of an approach for the synthesis of 3-dehydroxy-4methoxy tubastrine Santos, Kelly de Oliveira Craveiro, Marcus Vinícius Berlinck, Roberto G. S.

Abstract in English:

We report the synthesis of amino(2-hydroxy-2-(4-methoxyphenyl)ethylamino)methaniminium (14) as a direct precursor of a tubastrine derivative (3-dehydroxy-4-methoxytubastrine). The synthetic steps involved functional group interconversions starting from 1-(4-methoxyphenyl)ethanone to obtain the guanidine-protected derivative 13. Tentative dehydration of 13 with SiOH-adsorbed CuSO4 resulted in guanidine deprotection only. This was an unexpected result, since there are no reports of CuSO4.SiOH as Boc-deprotecting of guanidines. The product 14 was obtained in five steps and 5.4 % overall yield, and constitutes a direct precursor of 3-dehydroxy-4-methoxytubastrine.
Artigo
Effects of operational parameters on the photodegradation of direct red 23 azo dye at the titanium dioxide/water interface Clausen, Débora Nobile Takashima, Keiko

Abstract in English:

The decolorization and degradation of direct red 23 azo dye have been investigated in aqueous suspension of titanium dioxide under artificial irradiation. The effects of some operational parameters such as azo dye concentration, catalyst loading, and solution pH were investigated at 30.0 ºC and optimized values were obtained. The first-order kinetic model was used to discuss the results. The UV-Vis spectra changes showed that the azo dye sample, collected after 6 h irradiation, was 98% decolorized while the residual total carbon was 97.9% degraded, indicating simultaneous photodecolorization and degradation.
Artigo
Development and validation of a methodology FOR analysis of biodiesel: diesel blends using gas chromatography-mass spectrometry Faria, Rita C. M. Rezende, Michelle J. C. Rezende, Claudia M. Pinto, Angelo C.

Abstract in English:

The aim of this work was to develop and validate a method of analysis of biodiesel:diesel blends using HRGC-MS in SIM mode. The proposed method is applicable to biodiesel from linoleic oils, such as soybean oil. The following results were obtained: linearity over the methyl linoleate concentration range of 250-2500 mg L-1 (R² > 0.999); limits of detection and quantification of 2 and 5 mg L-1, respectively; recovery from 82 to 96% of biodiesel in diesel and repeatability < 2% (RSD). Comparison between two operators showed that it is not necessary the same operator to do the analysis.

Plant sources of amazon rosewood oil Maia, José Guilherme S. Andrade, Eloisa Helena A. Couto, Hilma Alessandra R. Silva, Ana Carla M. da Marx, Friedhelm Henke, Christoph

Abstract in English:

The aim of this study is to reevaluate the plant sources of the Amazon rosewood oil which have been named Aniba rosaeodora Ducke and Aniba duckei Kosterm. There is some disagreement on the exact botanical status of these species. Some Lauraceae specialists analyzing available material from both species concluded that there is no basis for regarding them as different. Based on our results we are confirming that the chemical composition of both species is quite different from that previously reported. So we are suggesting to bring back the previous botanical rosewood status as proposed by Adolph Ducke.
Artigo
Lead(II) removal in discontinous systems by carbon activated by phosphoric acid and vapor Bueno, Cristiane Imenes de Campos Carvalho, Wagner Alves

Abstract in English:

Adsorption of heavy metal cations by activated carbon is dependent on the capacity of the material in promoting adsorption and the time needed to reach equilibrium. Carbon samples were previously activated either by phosphoric acid treatment at 400 ºC or by steam at 800 ºC. The results of Pb(II) adsorption by these activated carbons have shown that equilibrium was typically reached within the first 5 min of contact between carbon and metal solution, with a maximum adsorption capacity higher than 69 mg g-1 for the vapor-activated sample. Temperature influences the sorption capacity, which corresponds to an endothermic process. Lead(II) retention is more pronounced at high temperature and low pH.

High performance liquid chromatography method for quantification of the N-phenylpiperazine derivative LASSBio-579 in rat plasma Conrado, Daniela J. Rates, Stela Maris Kuze Costa, Teresa Dalla Fraga, Carlos Alberto Manssour Barreiro, Eliezer J.

Abstract in English:

A rapid HPLC analytical method was developed and validated for the determination of the N-phenylpiperazine derivative LASSBio-579in plasma rat. Analyses were performed using a C18 column and elution with 20 mM sodium dihydrogen phosphate monohydrate - methanol. The analyte was monitored using a photodiode array detector (257 nm). Calibration curves in spiked plasma were linear over the concentration range of 0.3-8 mg/mL with determination coefficient > 0.99. The lower limit of quantification was 0.3 mg/mL. The applicability of the HPLC method for pharmacokinetic studies was tested using plasma samples obtained after administration of LASSBio-579 to Wistar rats, showing the specificity of the method.

Chemical composition and antimicrobial activity of the essential oil from Aeolanthus suaveolens Mart. ex Spreng Simionatto, Euclésio Porto, Carla Stüker, Caroline Z. Dalcol, Ionara I. Silva, Ubiratan F. da

Abstract in English:

The essential oils from leaves (sample A) and flowers (sample B) of Aeolanthus suaveolens Mart. ex Spreng were obtained by hydrodistillation and analyzed by GC, GC-MS, and chiral phase gas chromatography (CPGC). Six compounds have been identified from the essential oils, representing ca 94.3 and 93% of the oils corresponding to samples A and B, respectively. The major constituents of samples A and B essential oils were respectively, linalool (34.2%/34.9%), (-)-massoialactone (25.9%/17.0%) and (E)-beta-farnesene (25.4%/29.1%). The enantiomeric distribution of the monoterpene linalool was established by analysis on heptakis- (6-O-methyl-2,3-di-O-pentyl)-beta-cyclodextrin capillary column. The antimicrobial activity of the essential oil from leaves and isolated compounds was also evaluated.
Artigo
Polyphenol compounds of the kino of Eucalyptus citriodora Freitas, Marinalva Oliveira Lima, Mary Anne S. Silveira, Edilberto R.

Abstract in English:

Phytochemical analysis of the kino of Eucalyptus citriodora led to the isolation of 1-O,2-O-digaloil-6-O-trans -p-cumaroil-beta-D-glucopyranoside, 1-O-trans-p-cumaroil-6-O -cinamoil-beta-D-glucopyranoside, alpha and beta 6-O-trans-p-cumaroil-D-glucopyranoside, 7-methylaromadendrin-4'-O-6''- trans-p-cumaroil-beta-D-glucopyranoside, aromadendrin, aromadendrin-7-methyl-ether, naringenin, sakuranetin, kaempferol-7-methyl-ether and galic acid. Structural elucidation of the isolated compounds was established on the basis of spectral data, particularly by the use of 1D NMR and several 2D shift correlated NMR pulse sequences (¹H,¹H-COSY, HMQC, HMBC).
Artigo
Complex Dynamics in the bromate/hypophosphite/acetone/manganese and ferroin system Tokoro, Gustavo Oliveira, Hyrla C. L. Varela, Hamilton

Abstract in English:

New chemical systems have been recently designed for the study of complex phenomena such as oscillatory dynamics in the temporal domain and spatiotemporal pattern formation. Systems derived from oscillators based on the chemistry of bromate are the most extensively studied, with the celebrated Belousov-Zhabotinsky (BZ) reaction being the most popular example. Problems such as the formation of bubbles (CO2) and solid precipitate in the course of the reaction and the occurrence of simply short-lived oscillations under batch conditions are very common and, in some cases, compromise the use of some of these systems. It is investigated in this paper the dynamic behavior of the bromate/hypophosphite/acetone/dual catalyst system, which has been sugested as an interesting alternative to circumvent those inconvenients. In this work, manganese and ferroin are employed as catalysts and the complete system (BrO3-/H2PO2-/acetone/Mn(II)-ferroin) is studied under batch conditions. Temporal symmetry breaking was studied in a reactor under agitation by means of simultaneous records of the potential changes of platinum and Ag/AgBr electrodes, both measured versus a reversible hydrogen electrode. Additionally, spatio-temporal formation of target patterns and spiral waves were obtained when the oscillating mixture was placed in a quasi two-dimensional reactor.

Size distribution of atmospheric particulate ionic species at a coastal site in Portugal Alves, Célia Pio, Casimiro Campos, Eduarda Barbedo, Patrícia

Abstract in English:

A Berner impactor was used to collect size-differentiated aerosol samples from March to August 2003 in the city of Aveiro, on the Portuguese west coast. The samples were analysed for the main water-soluble ion species. The average concentration of sulphate, nitrate, chloride and ammonium was 6.38, 3.09, 1.67 and 1.27 µg m-3, respectively. The results show that SO4(2-) and NH4+ were consistently present in the fine fraction < 1 µm, which represents, on average, 72 and 89% of their total atmospheric concentrations, respectively. The NO3-particles were concentrated in the coarse size. Chloride presented the characteristic coarse mode for marine aerosols. During some spring/summer events, an ammonium surplus was observed (NH4+/SO4(2-) molar ratios > 2), possibly due to greater availability of ammonia coming from agricultural activities or from the neighbouring chemical industrial complex. During the remaining periods, the aerosol was found to be somewhat acidic and predominantly in the form of ammonium bisulphate (NH4+/SO4(2-) molar ratios = 0.5-1.25). Samples collected under a major or exclusive influence of maritime air masses were essentially constituted by coarse particles with enrichment in sea salt, while for air masses of continental origin the contribution of water-soluble ionic species in the fine mode was more pronounced.

Deviations from log-linear solubility equation for ibuprofen and naproxen in propylene glycol-water cosolvent mixtures Vargas, Edgar F. Manrique, Yady J. Pacheco, Diana P. Torres, Norma S. Martínez, Fleming

Abstract in English:

The deviations observed in the solubility of ibuprofen (IBP) and naproxen (NAP) in propylene glycol (PG) + water (W) cosolvent mixtures with respect to the logarithmic-linear model proposed by Yalkowsky have been analyzed at 25.00 ± 0.05 ºC. Negative deviations were obtained in all cosolvent compositions for both drugs; they were greater for IBP. Another treatment, based on Gibbs free energy relationships, was also employed showing an apparent hydrophobicity chameleonic effect, because at low PG proportions NAP is more hydrophobic, whereas at high PG proportions IBP is more hydrophobic. The results are discussed in terms of solute-solvent and solvent-solvent interactions.
Artigo
Study of coprolites from the Araripe sedimentary basin through FT-IR spectroscopy and x-ray diffraction Lima, Ricardo Jorge Cruz Freire, Paulo de Tarso Cavalcante Sasaki, José Marcos Saraiva, Antonio Álamo Feitosa Lanfredi, Silvania Nobre, Marcos Augusto de Lima

Abstract in English:

Coprolites are fossilized faeces that constitute an important source of palaeobiological informations. This paper describes the characterization of some coprolite materials originated from the Romualdo Member of the Santana Formation (Araripe Basin, south of Ceará State in Brazil) by means of two techniques: X-ray powder diffraction and Fourier transform infrared spectroscopy (FT-IR). This characterization allowed us to determine the main composition of the coprolites, of the nodulus (where the coprolites were extracted) and of the sediment (where the nodulus was found) suggesting that the material was produced by a carnivorous fish of the Lower Cretaceous.

Seasonal variation in the composition of volatile oils from Schinus terebinthifolius raddi Barbosa, Luiz Cláudio Almeida Demuner, Antônio Jacinto Clemente, Alan Dumont Paula, Vanderlúcia Fonseca de Ismail, Faiz M. D.

Abstract in English:

Essential oils from leaves, ripe and unripe fruits of Schinus terebinthifolius growing in Brazil were investigated. Oil content from either ripe or unripe fruits was similar (4.65% and 3.98%, respectively). Sesquiterpenes (from 78.0% to 90.4%) dominated the oil content of both leaves and unripe fruit. The essential oils were tested in vitro for their allelopathic activity on germination and radicle growth of Lactuca sativa and Cucumis sativus at 1,000 and 10,000 µg mL-1concentrations. The three samples tested were more active in inhibiting the radicle growth for L. sativa (88.6-92.4%) than for C. sativus (50.5-84.5%) at 10,000 µg mL-1 concentration.

Determination of cocaine in brazilian paper currency by capillary gas chromatography/mass spectrometry Donato, Enrico Di Martin, Carmen Cinira Santos Martinis, Bruno Spinosa De

Abstract in English:

The presence of illicit drugs such as cocaine and marijuana in US paper currency is very well demonstrated. However, there is no published study describing the presence of cocaine and/or other illicit drugs in Brazilian paper currency. In this study, Brazilian banknotes were collected from nine cities, extracted and analyzed by capillary gas chromatography/mass spectrometry, in order to investigate the presence of cocaine. Bills were extracted with deionized water followed by ethyl acetate. Results showed that 93% of the bills presented cocaine in a concentration range of 2.38-275.10 µg/bill.
Revisão
Effects of carbonylic compound presence and concentration on wine quality Azevêdo, Luciana C. de Reis, Marina M. Silva, Luciana A. da Andrade, Jailson B. de

Abstract in English:

Studies on identification of compounds that make up the aroma and flavor in wines involve research evaluating mainly the influence of terpenes, esters, lactones and alcohols upon these sensory characteristics. However, carbonylic compounds (CC) play an important role concerning the substances that impact aroma to these drinks. Their origin is reported to be linked to the grape's chemical composition, must fermentation or micro-oxidation occurring during storage in barrels. Some CCs, like E-ionone, E-damascenone, siryngaldehyde, can contribute a pleasant aroma and improve the wine quality whereas others are responsible for unpleasant characteristics (acetaldehyde, furfural, 5-hydroxy-methyl furfural, diacetil, E-non-2-enal, etc). A fraction of CCs present is associated with bisulfite ions in the form of hydroxyalkylsulfonic acids. Some of them are stable and play an important role in determining wine quality. The reaction involving the formation of this aduct commonly occurs with CCs of low molar mass, such as formaldehyde and acetaldehyde. The reaction involving CCs with more than three carbon atoms demands further studies.
Revisão
Persistent toxic substance (PTS) in Brazil Almeida, Fernanda V. Centeno, Alberto J. Bisinoti, Márcia Cristina Jardim, Wilson F.

Abstract in English:

The present article presents an assessment of PTS in Brazil including polychlorinated biphenyls, polycyclic aromatic hydrocarbons, benzene hexachloride, aldrin, dieldrin, endrin, p,p,-DDT, p,p,DDE, p,p,-DDD, hexachlorocyclohexanes (alpha-HCH, beta-HCH, gamma-HCH and delta-HCH), endossulfan, heptachlor and pentachlorophenol. The data presented here are related to a survey of PTS levels in different environmental matrixes (soil, sediment, water, air, biota) and human tissues (milk, blood, human hair), according to the scope of the UNEP-GEF Regionally Based Assessment of PTSs. Potential sources were evaluated considering national products and imports, since most of the literature does not allow source identification. Finally, Brazilian legislation was updated.
Revisão
Micro chemical analysis systems: Introduction, fabrication technologies, instrumentation and applications Coltro, Wendell Karlos Tomazelli Piccin, Evandro Carrilho, Emanuel Jesus, Dosil Pereira de Silva, José Alberto Fracassi da Silva, Heron Domingues Torres da Lago, Claudimir Lúcio do

Abstract in English:

The amazing world of micro total analysis systems has provided a true revolution in analytical chemistry in recent years. The application of the microfluidic devices for chemical and biochemical processing has attracted considerable interest due to its advantages such as reduced sample and reagent consumption, processing time, energy, waste, cost, and portability. The aim of the present report is to disseminate the state of the art related to the miniaturization science in Analytical Chemistry. Historical progress, microfabrication technologies, required instrumentation and applications of the mTAS are presented in the current article, with special attention to the Brazilian contributions.
Revisão
Cerium: catalytic properties, technological and environmental applications Martins, Tereza S. Hewer, Thiago L. R. Freire, Renato S.

Abstract in English:

Cerium based-compounds have great importance in a wide range of technological applications, such as: fuel cell devices development; metallurgic processes, petroleum refining; glass and ceramic production. Recently, its catalytic properties have been also explored for environmental applications, especially those to prevent or to control atmospheric and water pollution. Subjects covered in this work include a brief description of the fundaments of cerium catalytic properties and some relevant technological applications. Special attention is given to its photocatalytic activity and its ability to degrade pollutants. Recent results and future prospect about these applications are also evaluated.
Revisão
1,5-Asymmetric induction in the boron-mediated aldol reaction of beta-oxygenated methyl ketones Dias, Luiz C. Aguilar, Andrea M.

Abstract in English:

High levels of substrate-based 1,5-stereoinduction are obtained in the boron-mediated aldol reactions of beta-oxygenated methyl ketones with achiral and chiral aldehydes. Remote induction from the boron enolates gives the 1,5-anti adducts, with the enolate pi-facial selectivity critically dependent upon the nature of the beta-alkoxy protecting group. This 1,5-anti aldol methodology has been strategically employed in the total synthesis of several natural products. At present, the origin of the high level of 1,5-anti induction obtained with the boron enolates is unclear, although a model based on a hydrogen bonding between the alkoxy oxygen and the formyl hydrogen has been recently proposed.
Nota técnica
Transesterification of vegetable oils: characterization by thin-layer cromatography and density Froehner, Sandro Leithold, Juliana Lima Júnior, Luiz Fernando

Abstract in English:

We studied the transesterification of two vegetable oils: soybean and waste frying oil. The main problem of transesterification is related to the measurement of the ethyl ester content. In this work we used a quick analytical method for assessing the ethyl ester fraction of the purified fuel-grade transesterification products by applying a simple correlation with density. If the ester content is higher than 85% by weight the correlation allows the determination by a single density measurement. This method is suitable for control and determines the ethyl ester quickly and simply.

A low-cost procedure for copper determination in natural waters and plant materials exploiting solid phase spectrophotometry Pellerano, Roberto Gerardo Romero, Cesar Hamilton Acevedo, Hugo Arnoldo Vazquez, Francisco Antonio

Abstract in English:

A method for determining copper by solid phase spectrophotometry (SPS) was optimized using the Doehlert design. Copper(II) was sorbed on a styrene-divinylbenzene anion-exchange resin as a Cu(II)-1-(2-pyridylazo)-2-naphthol (PAN) complex, at pH 7.0. Resin phase absorbances at 560 and 800 nm were measured directly. The detection limit was found to be 2.5 µg L-1. The relative standard deviation on ten replicate determinations of 10 µg Cu(II) in 1000 mL samples was 1.1%. The linear range of the determination was 5.0-100 µg L-1. The method was applied successfully to the determination of Cu(II) in natural water and vegetable samples.
Nota técnica
Electroanalytical methodologies for the determination of triazine herbiacides by square wave voltammetry and deconvolution techniques Garbellini, Gustavo S. Pedrosa, Valber A. Salazar-Banda, Giancarlo R. Avaca, Luis A.

Abstract in English:

This work describes the development of electroanalytical methodologies for the determination of atrazine, ametrine and simazine by square wave voltammetry on a mercury electrode. For pure atrazine and pure ametrine, the detection limits (DL) were 3.7 and 4.3 µg L-1, respectively, while they increased to 4.8 and 6.5 µg L-1 in the presence of 3.0 x 10-6 mol L-1 of the other component (a mathematical deconvolution program was used in the mixture cases). The voltammetric response for simazine could not be separated from that of atrazine and measurements were carried out only in pure simazine solutions (DL: 7.5 µg L-1).
Nota técnica
Linear retention index for characterization of volatile compounds in soluble coffee using GC-MS and HP-Innowax column Viegas, Marcelo Caldeira Bassoli, Denisley Gentil

Abstract in English:

Gas chromatography coupled with mass spectrometry (GC-MS) is widely used for the characterization of volatile compounds. However, due to the complexity of the soluble coffee matrix, a complete identification of the components should not be based on mass spectra interpretation only. The linear index of retention (LRI) is frequently used to give support to mass spectra. The aim of this work is to investigate the characterization of the volatile compounds in soluble coffee samples by GC-MS using LRI values found with a HP-INNOWAX column. The method used allows a significant increase of the reliability of identifying compounds.
Educação
Promoting argumentation in undergraduate chemistry teaching Sá, Luciana Passos Queiroz, Salete Linhares

Abstract in English:

Studies have demonstrated the importance of argumentation in science education. Based on this assertion, we have tried to develop argumentative abilities in chemistry undergraduate students through a teaching methodology based on case studies. The process culminated with class presentations by student groups about possible solutions for the cases. To assess the quality of students' argumentation, videotapes of group presentations were collected and analyzed using Toulmin's Argument Pattern (TAP). TAP illustrates the nature of an argument in terms of claims, data, warrants, backings, and rebuttals. The findings of this work support the idea that the case study approach is an effective strategy for enhancing students' ability to argument.
Educação
Teacher's views on environmental issues and their pedagogical implications for high-school chemistry teaching Marques, Carlos Alberto Gonçalves, Fábio Peres Zampiron, Eduardo Coelho, Juliana Cardoso Mello, Ligia Catarina Oliveira, Paulo Roberto Silva Lindemann, Renata Hernandez

Abstract in English:

This study was realized with high school Chemistry teachers from the region of and around Florianópolis (SC). It examines the pedagogical implications of these teachers' views on environmental issues, and discusses the possibilities and difficulties of bringing these issues into the Chemistry classroom. The semi-structured interviews were analyzed using Textual Discourse Analysis principles. The dominance of content-based teaching and traditional pedagogical approaches appears to hinder curricular changes. Most subjects pay little heed to environmental issues and their relation to Chemistry, and endorse a view of science as neutral, and the environment as anthropocentric - views far from Green Chemistry principles.
Educação
Camphor: a good model for illustrating NMR techniques Yoneda, Julliane Diniz Leal, Kátia Zaccur Seidl, Peter Rudolf Azeredo, Rodrigo Bagueira de V. Kleinpeter, Erich

Abstract in English:

The use of Nuclear Magnetic Resonance spectroscopy to establish the three-dimensional structures of molecules is an important component of modern Chemistry courses. The combination of techniques that can be used for this purpose is conveniently illustrated by their application to the camphor molecule. This paper presents applications of several techniques used in NMR spectral interpretation in an increasing order of complexity. The result of individual experiments is illustrated in order to familiarize the user with the way connectivity through bonds and through space is established from 1D/2D-NMR spectra and molecular stereochemistry is determined from different NMR experiments.
Educação
An introduction to atomic spectroscopy: II - the sodium spectrum Sala, Oswaldo

Abstract in English:

The present article is devoted to Chemistry or Physics undergraduate students, given their difficulty to understand fundamental concepts and technical language used in atomic spectroscopy and quantum mechanics. An easy approach is shown in the treatment of the emission spectrum of the sodium atom without any involved calculations. In a previous article, the hydrogen spectrum was considered and the energy degeneracy of the angular momentum quantum number was observed. For the sodium spectrum, due to the valence electron penetration into internal shells, a breakdown of this degeneracy occurs and a dependence of this penetration on the angular momentum quantum number is observed. The eigenvalues are determined introducing the quantum defect correction (Rydberg correction) in the denominator of the Balmer equation, and the energy diagram is obtained. The intensity ratio for the observed doublets is explained by introducing new wave functions, containing the magnetic quantum number of the total angular momentum.
Assuntos gerais
Medicinal bioinorganic chemistry Benite, Anna Maria Canavarro Machado, Sérgio de Paula Barreiro, Eliezer J.

Abstract in English:

Metals play a vital role in human and plant physiology and important research is directed towards exploring the interrelated mechanisms that govern their interactions with biomolecules. Bioinorganic medicinal chemistry studies the functions, processing, storage and applications of metal ions and their complexes in biological systems. This paper presents a brief discussion about on interactions of metals with biomolecules that determine their intracellular accumulation, where metal ions may fulfill essential functions in cellular metabolism or, in certain cases, exert toxic effects towards cells.
Assuntos gerais
70th anniversary of biodiesel in 2007: historical evolution and current situation in Brazil Suarez, Paulo A. Z. Meneghetti, Simoni M. Plentz

Abstract in English:

Periodically, during petroleum shortages, vegetable oils and their derivatives have been proposed as alternatives to petroleum diesel fuel. Different approaches have been proposed, including the use of pure vegetable oils (or blends) or their derivatives. Indeed, the use of fatty-acid methyl or ethyl esters (usually known as "biodiesel") produced by alcoholysis of triacylglycerides or esterification of fatty acids was initially proposed in Belgium 70 years ago, when the first world patent was deposited. Recently, foreign dependence on diesel fuel and the petroleum crisis have increased the discussion in Brazil on starting to use alternatives to diesel fuel, being biodiesel the alternative of choice for a large petroleum diesel substitution program.
location_on
Sociedade Brasileira de Química Instituto de Química, Universidade Estadual de Campinas (Unicamp), CP6154, 13083-0970 - Campinas - SP - Brazil
E-mail: quimicanova@sbq.org.br
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