Estudo computacional de líquidos iônicos do tipo dialquilimidazólio

Neste trabalho foram desenvolvidos parâmetros de campo de força dos ânions tetrafenilborato (BPh4 -) e hexafluorfosfato (PF6 -) dentro da metodologia AMBER para a simulação computacional por dinâmica molecular de Líquidos Iônicos formados por estes ânions e cátions do tipo dialquilimidazólio, o 1-n-butil-3-metilimidazólio (BMI+), o 1-etil-3-metilimidazólio (EMI+) e o 1,3-dimetilimidazólio (MMI+). A validação destes parâmetros foi realizada por comparação entre as freqüências dos modos normais obtido por cálculo ab initio com aquelas obtidas por mecânica molecular, juntamente com uma comparação entre as estruturas moleculares e momentos multipolares obtidos pelas duas metodologias. Seguiu-se então a validação por comparação dos resultados dos cálculos de dinâmica molecular com dados experimentais, como densidades, entalpias de vaporização, condutividade elétrica, estrutura radial e espacial e também dados de difração de nêutrons. Foi atingida uma concordância bastante grande entre dados experimentais e cálculo teórico principalmente no que diz respeito à estrutura dos Líquidos Iônicos e foi possível racionalizar em termos de tamanho do grupo alquila do cátion (n-butil, metil ou etil) e do tamanho do ânion tanto propriedades estruturais deste líquidos quanto características dinâmicas dos mesmos.

Detecção e caracterização de biomarcadores voláteis em indivíduos com patologias oncológicas

Com a realização deste trabalho, pretendeu-se traçar o perfil padrão da composição volátil típico de fluidos biológicos (urina) de indivíduos sem patologia oncológica (grupo de controlo) comparando-os com os de pacientes (grupo com patologia oncológica). As amostras de urina de ambos os grupos foram analisadas por microextracção em fase sólida em modo de headspace acoplada à espectrometria de massa (HS-SPME-GC/qMS). Com o intuito de aumentar a eficiência de extracção da SPME, foram optimizados alguns parâmetros com influência no processo extractivo, nomeadamente o tipo de fibra, o tempo e a temperatura de extracção. Assim sendo, foram testadas e comparadas seis fibras comercialmente disponíveis, polidimetilsiloxano (PDMS, 100 m), poliacrilato (PA, 85 m), carboxeno-polidimetilsiloxano (CAR/PDMS, 75 m), carbowax-divinilbenzeno (CW/DVB, 65 m), divinilbenzeno-carboxen-polidimetilsiloxano (DVB/CAR/PDMS, 50/30 m) e polidimetilsiloxano-divinilbenzeno (PDMS/DVB, 65 m). A influência do tempo (30, 45, 60 e 75 min) e temperatura (30, 50 e 60 ºC) de extracção foram optimizados de modo a obter uma melhor eficiência de extracção dos compostos voláteis presentes nas amostras de urina. Os melhores resultados foram obtidos usando a fibra carboxeno-polidimetilsiloxano (CAR/PDMS, 75 m), com uma velocidade de agitação de 800 rpm durante 75 min a uma temperatura de 50 ºC. Para os dois grupos em estudo, foram identificados 80 compostos voláteis pertencentes a diversas famílias químicas, nomeadamente, aldeídos, cetonas, derivados benzénicos, compostos terpénicos, ácidos orgânicos, compostos furânicos, compostos sulfurados, fenóis voláteis, ésteres, álcoois superiores e derivados do naftaleno. Os compostos maioritários pertencentes aos grupos analisados foram a 4-heptanona, a 2-pentanona, a acetona, a 2-butanona, o 1(2- furanil)etanona, o 3-metil-3-fenil-2-propenal, o 3,4-dimetilbenzaldeído, o decanal, o dissulfureto de dimetilo, o metanotiol, o 2-metoxitiofeno, o 4-metil-fenol, o p-tert-butil-fenol, o 2,4-bis(1,1- dimetiletil)fenol, o fenol, o m-cimeno, o p-cimeno, o tolueno, o 1-etil-3,5-diisopropilbenzeno, o 2,6-dimetil-7-octen-2-ol, a D-carvona, o vitispirano I e o vitispirano II. O teste One-Way ANOVA foi aplicado aos resultados com o intuito de verificar se existiam diferenças significativas entre os grupos avaliados (Controlo e Oncológico), sendo o dissulfureto de dimetilo, o 2-metoxitiofeno, e o p-cimeno estatisticamente significativos. A aplicação da análise multivariável às amostras de urina das diferentes patologias permitiu diferenciá-las no qual se obteve 81,02% da variância total.A aplicação da análise multivariável às amostras de urina das diferentes patologias permitiu diferenciá-las no qual se obteve 81,02% da variância total. A patologia de Hodgkin é influenciada pelas variáveis heptanal e o 2-metil-3-fenil-2-propenal. O Controlo é afectado essencialmente pelas variáveis p-cimeno, 1,4,5-trimetilnaftaleno e o dissulfureto de dimetilo. O Cólon é influenciado pelo 4-metilfenol, anisole e 1,2-dihidro-1,1,6-trimetil-naftaleno. O 1-octanol e a 3-heptanona influenciam, essencialmente as patologias da Mama e Leucemia.

Vermiculitas tratadas quimicamente na obtenção de sólidos microporosos como precursores para híbridos inorgânico-orgânicos com aplicações adsortivas

ALVES, Ana paula Melo. Vermiculitas tratadas quimicamente na obtenção de sólidos microporosos como precursores para híbridos inorgânico-orgânicos com aplicações adsortivas. 2009. 124 f. Tese (Doutorado em Quimica) - Centro de Ciências Exatas e da Natureza, Universidade Federal da Paraíba, João Pessoa, PB, 2009.

Effects of ethyl-cyanoacrylate and octyl-cyanoacrylate on experimental corneal lesions in rabbits

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Desenvolvimento e análise de material compósito a base de penas de frango (fibras de queratina-KF) e matriz de poliéster insaturado

Use of natural fibres as a reinforcement material in the manufacture of composites show a series of advantages: availability, biodegradability, low weight and regeneration in relation to synthetic fibres, thus justifying its utilization. In the present research work, composites were developed with chicken feathers (KF), using unsaturated polyester resin as matrix, for diversified applications, mainly in the furniture/timber industry.At present, in Brazil the chicken feathers are used as part of the animal feed, even though this material possesses low aggregated value. The chicken feathers are hollow, light and resistant. After washing with water at room temperature, a part of the chicken feathers were treated with 2% NaOH. Composites were manufactured using treated and untreated chicken feathers with unsaturated orthothalic polyester resin and 1% peroxide as catalyser, obtained in the commerce. Samples with size 150x25x3 mm for mechanical tests were cut by laser in the composite plate. Mechanical analyses were carried out in the Laboratório de Metais e Ensaios Mecânicos UFRN. All the analyses were in accordance with ASTM standards. SEM analyses were also carried out on the samples.In the analyses of the results obtained, it was observed that the composites made with untreated chicken feathers showed better results (Traction 11.406 MPa and 9.107 MPa Bending 34.947 and 20.918 MPa for samples with and without treatment respectively) compared to the composite with treated feathers. Very low values of the water absorption results, evidenced the impermeability characteristic of the feathers. From the SEM images, the structure, fracture and the fibre/matrix adsorption can be evidenced. In the flammability test, it was observed that despite the feathers having sulfur as a constituent, natural inhibitor of flame, no burning support of the composites, because the manufacturing process of the composite

Estudo comparativo das propriedades mecânicas em compósitos da fibra modal e poliester

In the present work, three composites with distinct reinforcements (polyester, modal e polyester + modal), all if a unsaturated orthophthalic polyester resin as matrix were used, in order to conduct a comparative study by mechanical tests and water absorption. The fibre mats were prepared in a mat preparatory by immersion developed in the Textile Engineering Laboratory. The composites were manufactured using a closed mould process by compression using an unsaturated orthophthalic polyester resin as matrix and 1% MEK (methyl ethyl ketone peroxide) as an initiator. In each composite twelve samples with the dimensions of 150x25x3 mm were cut randomly for the mechanical analysis (tension x extension, three points bending and water absorption and Scanning Electron Micsroscopy). The mechanical tests were carried out in the Laboratório de Metais e Ensaios Mecânicos UFRN . All the analyses were carried out according to the ASTM norms. The resultant samples from the mechanical analysis were subjected for the Scanning Electron Microscopy analysis. Based on the results obtained, it was observed that the reinforced composite with two fibres (modal + polyester) presented better results in comparison to the other two composites both in the tension/extension as well on the three point bending tests. In the water absorption test, it was possible to observe an equilibrium in the water absorption by the modal and polyester composite, due to the union of the two fibres. In the SEM images, the regions of rupture in the composites as well as the adsorption between the fiber and the matrix could be observed

Fabricação de eco-composito com a fibra de lã canina

The Sustainability has been evidence in the world today; organizations have sought to be more and more into this philosophy in their processes, whether products or attendance. In the present work were manufactured eco-composites with animal fiber (dog wool) that is currently discarded into the environment without any use. The fibers were characterized and made matting (non-woven). The phases of the project were consisted to develop methods and to convert these fibers (booster) blended with polyester resin (matrix) in different proportions (10%, 20% and 30%) at the composite. Were studied fiber characteristics, mechanical properties of the composites, water absorption and scanning electron microscopy. Initially, the fibers were treated with solution of sodium hydroxide of 0.05 mols, and then taken to matting preparing at the textile engineering laboratory - UFRN. The composites were made by compression molding, using an orthophthalic polyester resin as matrix and 1% MEK (methyl ethyl ketone peroxide) as initiator (catalyst). To evaluate the mechanical tests (tensile and flexural) and water absorption were made twelve specimens with dimensions 150x25x3 mm were cut randomly. According to the standard method, tensile tests (ASTM 3039) bending tests (ASTM D790) were performed at the mechanical testing of metals at laboratory UFRN. The results of these tests showed that the composite reinforced with 30% had a better behavior when exposed to tension charge; while on the three points bending test showed that the composite reinforced with 10% had a better behavior. In the water absorption test it was possible to see that the highest absorption happened on the composite reinforced with 30%. In the micrographs, it was possible to see the regions of rupture and behavior of the composite (booster / matrix)

Desenvolvimento e produtividade da cana-de-açúcar após aplicação de reguladores vegetais em meio de safra

The supply of technological quality raw material for providing economical return is the most important necessity of sugar and alcohol industry. The objective of this work was to evaluate the development and productivity of sugarcane stalks due to plant regulators application at half crop. The experiment was carried out in a randomized block design with five replications. The treatments consisted of four plant regulators of the class of the growth retainers (Ethephon, Ehyl-trinexapac, Potassium nitrate, Potassium nitrate + Boron) application and a control (natural ripening). Ethyl-trinexapac and Ethephon treatments were efficient to hold up growth process regarding height of plants, but had no effect on diameter of stalks. The maintenance of bud top integrity made possible the increase in diameter of stalks, without interrupting the growth process regarding height of plants. According to application time the ripeners provided improvement on technological quality of raw material. The ripeners did not affect the number of plants per meter at harvest and did not cause quantitative alterations in the mass of stalks per hectare. The ripeners did not affect the regrowth of the ratoon cane.

Adesivos à base de cianoacrilato para síntese de tecido mole

FUNDAMENTOS - Adesivos teciduais têm sido muito usados para síntese de ferida, em função de ser um método indolor, rápido e de fácil execução. OBJETIVOS -Analisar e comparar compatibilidade dos adesivos, etil- cianoacrilato (Super Bonder) e butilcianoacrilato (Histoacryl), e a reparação de incisões em dorso de ratos entre o fio de sutura e os respectivos adesivos. MÉTODOS - Foram usados 15 ratos. Realizaram-se duas lojas cirúrgicas no dorso. em cada uma, foi implantado um tubo de polietileno (10mm x 1mm), os quais foram preenchidos com os adesivos Super Bonder (lado direito) e Histoacryl (lado esquerdo). As incisões, do lado esquerdo, foram coaptadas com Super Bonder, e as do lado direito, com Histoacryl. Uma incisão mediana, entre as duas incisões,foi realizada e suturada com fio de seda. Os animais foram mortos, depois de 7(sete), 35(trinta) e 120 (cento e vinte dia) dias. RESULTADOS: Os adesivos usados, no presente estudo, não promoveram reação inflamatória, quando usados para síntese das incisões. Porém, estes adesivos, quando implantados no subcutâneo, promoveram reação inflamatória até 120 (cento e vinte dia) dias, no entanto, a reação é mais intensa com Histoacryl. CONCLUSÕES: Super Bonder e Histoacryl permitem o processo cicatricial dos tecidos incisados; facilitam a sutura das incisões. Desta forma, estes podem ser utilizados para sínteses de feridas, lacerações ou incisões cutâneas.

Controle do crescimento vegetativo e floração de mangueiras cv. Kent com reguladores de crescimento vegetal

Paclobutrazol applied to the soil is used for the production management of mangoes in most of the orchards, but it presents as disadvantage the greater persistence in plant and soil. Three growth regulators (prohexadione-Ca, trinexapac-ethyl and chlormequat chloride) were foliar applied, at two dosages and compared to paclobutrazol applied as soil-drench. The experiment was conducted in the region of the Sao Francisco Valley, Petrolina, PE, from December 2007 to July 2008, in a mango orchard that has a spacing of 8 m between lines and 5 m between plants. In order to compare the effects of the treatment, data were evaluated regarding to vegetative growth (number, length and leaf number of vegetative branches) and flowering (percentage and panicles length). The combination of PBZ, soil applied with ProCa, foliar applied was the most efficient in controlling vegetative growth of branches of the mango 'Kent', but not regarding to flowering, where there were no differences between treatments.

Purification of an antibacterial compound from Lantana lilacina

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

MISTURAS DE HERBICIDAS: EFEITOS DE ADJUVANTES NO CONTROLE DE PLANTAS INFESTANTES NA CULTURA da SOJA

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Efeito da aplicação de maturadores químicos na cultura da cana de açúcar (Saccharum spp.) variedade SP81-3250

Sugarcane is one of the most important grass crops. This study evaluated the effects of chemical ripeners on the sugarcane variety SP81-3250 in terms of technological quality. The experiment was arranged in randomized blocks with split split-plots. Main treatments were: 1) Control; 2) Aminolon Maduracion, at a rate of 0.7 L of commercial product (c.p.) ha -1; 3) Aminolon Maduracion, at a rate of 1.0 liter of c.p. ha -1; 4) Aminolon Maduracion, at a rate of 1.3 liter of c.p. ha -1; 5) Trinexapac-ethyl (Moddus), at a rate of 0.8 liter of c.p. ha -1. Secondary treatments were the sampling dates: 10 days before application (- 10 d.a.a.); 11; 46; 71; 100 and 117 d.a.a. (days after application). Ripeners differently affected the technological parameters, and trinexapac-ethyl showed the best behavior, followed by Aminolon (0.7 L of c.p. ha -1). The best results were found at the 3rd and 4th sampling dates, 46 and 71 days after application, respectively.

Mango flower induction in the brazilian northeast Semi-arid with gibberellin synthesis inhibitors

Mangoes in the Brazilian semi-arid stands out in the national scenario due to high yields and fruit quality, and also to the possibility of all-year production taking advantage of the climatic conditions as well as management technique (irrigation, pruning and growth regulators application) for plant growth and blossom control. Paclobutrazol soil drench applied is normally used for production management of mangoes. This research deals with the evaluation of the effect of foliar applied growth regulators to mango, cultivar 'Kent', as regard to their efficiency for blossom management, in order to allow off season mango production. Three growth regulators (prohexadione-Ca, trinexapac-ethyl and chlormequat chloride) were foliar applied, at two dosages and compared to paclobutrazol applied as soil-drench. In order to compare the effects of the treatment, data were recorded related to panicle emission (percentage and length), period of time until blossom and production, yield (number and plant weight) and post-harvest quality of the fruit (total soluble solids, titratable acidity, pH, firmness, flesh and skin color and appearance). The results showed that prohexadione-Ca and chlormequat chloride induced a 15-day early harvest, while paclobutrazol, alone or combined with prohexadione-Ca, allow to harvest 25 days in advance, when compared to trinexapac-ethyl and control trees. Growth regulators foliar applied and paclobutrazol applied as soil-drench delayed mangoes fruit ripening in post-harvest.

Efeito da densidade de semeadura e de reguladores vegetais sobre os caracteres morfofisiológicos da folha bandeira do trigo

The objective of this work was to study the morphological and physiological characteristics of the wheat flag leaf as affected by increasing sowing densities and plant growth regulators application. The experimental design was a split-plot with completely randomized blocks and four replications. Plots were consisted by four sowing densities (30, 50 70 and 90 plants m-1) and the split-plots by plant growth regulators: a product composed by auxin+gebberellin+cytokinin (Ax+GA+CK), Trinexapac-Ethyl e (Ax+GA+CK) + Trinexapac-Ethyl, and a control without application. Dry mass accumulation, plant height, morphological characteristics, SPAD index, nitrogen and photosynthetic pigments contents in the flag leaf were determined. The increase in the sowing density resulted in lower dry mass accumulation and SPAD index of the flag leaves. Trinexapac-Ethyl caused increase in the SPAD index, but the chlorophyll content of the flag leaf was reduced. The SPAD index values were more correlated with the nitrogen than the chlorophyll contents. Ax+GA+CK did not affect flag leaf characteristics in wheat plants.