Liquid crystalline cellulosic elastomers: free standing anisotropic films under stretching

The structure and local ordering of 1,6-hexamethylenediisocyanate-(acetoxypropy1) cellulose (HDI-APC) liquid crystalline elastomer thin films are investigated by using X-ray diffraction and scattering techniques. Optical microscopy and mechanical essays are performed to complement the investigation. The study is performed in films subjected or not to an uniaxial stress. Our results indicate that the film is constituted by a bundle of helicoidal fiber-like structure, where the cellobiose block spins around the axis of the fiber, like a string-structure in a smectic-like packing, with the pitch defined by a smectic-like layer. The fibers are in average perpendicular to the smectic-like planes. Without the stretch, these bundles are warped, only with a residual orientation along the casting direction. The stretch orients the bundles along it, increasing the smectic-like and the nematic-like ordering of the fibers. Under stress, the network of molecules which connects the cellobiose blocs and forms the cellulosic matrix tends to organize their links in a hexagonal-like structure with lattice parameter commensurate to the smectic-like structure.

A New Approach to the Prediction of Partition Coefficients in Water/Organic Interfaces

In the present work, a new approach for the determination of the partition coefficient in different interfaces based on the density function theory is proposed. Our results for log P(ow) considering a n-octanol/water interface for a large super cell for acetone -0.30 (-0.24) and methane 0.95 (0.78) are comparable with the experimental data given in parenthesis. We believe that these differences are mainly related to the absence of van der Walls interactions and the limited number of molecules considered in the super cell. The numerical deviations are smaller than that observed for interpolation based tools. As the proposed model is parameter free, it is not limited to the n-octanol/water interface.

Detailed analysis of the charge transfer complex N,N-dimethylaniline-SO(2) by Raman spectroscopy and density functional theory calculations

Although the amine sulfur dioxide chemistry was well characterized in the past both experimentally and theoretically, no systematic Raman spectroscopic study describes the interaction between N,N-dimethylaniline (DMA) and sulfur dioxide (SO(2)). The formation of a deep red oil by the reaction of SO(2) with DMA is an evidence of the charge transfer (CT) nature of the DMA-SO(2) interaction. The DMA -SO(2) normal Raman spectrum shows the appearance of two intense bands at 1110 and 1151 cm(-1), which are enhanced when resonance is approached. These bands are assigned to nu(s)(SO(2)) and nu(phi-N) vibrational modes, respectively, confirming the interaction between SO(2) and the amine via the nitrogen atom. The dimethyl group steric effect favors the interaction of SO(2) with the ring pi electrons, which gives rise to a pi-pi* low-energy CT electronic transition, as confirmed by time-dependent density functional theory (TDDFT) calculations. In addition, the calculated Raman DMA-SO(2) spectrum at the B3LYP/6-311++g(3df,3pd) level shows good agreement with the experimental results (vibrational wavenumbers and relative intensities), allowing a complete assignment of the vibrational modes. A better understanding of the intermolecular interactions in this model system can be extremely useful in designing new materials to absorb, detect, or even quantify SO(2). Copyright (C) 2009 John Wiley & Sons, Ltd.

Type 11 Design G Starboard Side; SS Itasca

; Initials Lower Left: CO; Initials Lower Left: NH; Initials Lower Left: WR

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Este modelo é parte de um conjunto de modelos 3D produzidos pela equipe de audiovisual da SEaD/UFSCar para o jogo de realidade virtual “O Laboratório de Química”.

New bacterial cellulose nanocomposites prepared by in situ radical polymerization of methacrylate monomers

Bacterial cellulose/polymethacrylate nanocomposites have received attention in numerous areas of study and in a variety of applications. The attractive properties of methacrylate polymers and bacterial cellulose, BC, allow the synthesis of new nanocomposites with distinct characteristics. In this study, BC/poly(glycidylmethacrylate) (BC/PGMA) and BC/poly(ethyleneglycol)methacrylate (BC/PPEGMA) nanocomposites were prepared through in situ free radical polymerization of GMA and PEGMA, respectively. Ammonium persulphate (APS) was used as an initiator and N,N’methylenebisacrilamide (MBA) was used as a crosslinker in BC/PGMA. Chemical composition, morphology, thermal stability, water absorption, mechanic and surface properties were determined through specific characterization techniques. The optimal polymerization was obtained at (1:2) for BC/PGMA, (1:2:0.2) ratio for BC/GMA/MBA and (1:20) for BC/PPEGMA, with 0.5% of initiator at 60 ºC during 6 h. A maximum of 67% and 87% of incorporation percentage was obtained, respectively, for the nanocomposites BC/PGMA/MBA and BC/PPEGMA. BC/PGMA nanocomposites exhibited an increase of roughness and compactation of the three-dimensional structure, an improvement in the thermal and mechanical properties, and a decrease in their swelling ability and crystallinity. On the other hand, BC/PPEGMA showed a decrease of stiffness of three-dimensional structure, improvement in thermal and mechanical properties, an increase in their swelling ability and a decrease the crystallinity. Both BC/polymethacrylate nanocomposites exhibited a basic surface character. The acid treatment showed to be a suitable strategy to modifiy BC/PGMA nanocomposites through epoxide ring-opening reaction mechanism. Nanocomposites became more compact, smooth and with more water retention ability. A decrease in the thermal and mechanical proprieties was observed. The new nanocomposites acquired properties useful to biomedical applications or/and removal of heavy metals due to the presence of functional groups.

Fitossociologia de comunidades de plantas daninhas em agroecossistema cana-crua

Objetivou-se neste trabalho estudar a fitossociologia de comunidades de plantas daninhas de canaviais colhidos no sistema mecanizado, sem queima prévia da palha, e a similaridade entre talhões quanto à composição de espécies. Os levantamentos foram realizados em 28 talhões comerciais na região de Ribeirão Preto-SP. em cada talhão foram demarcadas áreas de coleta e avaliação, na proporção de duas por hectare, mantidas sem controle, e que serviram de local para as amostragens de plantas daninhas. As amostragens foram feitas com quadrados vazados (0,5 x 0,5 m), lançados aleatoriamente duas vezes em cada uma das áreas. Essas amostragens foram realizadas determinando-se a densidade e a biomassa específica aos 120 dias após o corte da cana. Cyperus rotundus foi a principal espécie, destacando-se quanto aos valores de importância relativa (IR). As plantas dicotiledôneas anuais de propagação por sementes também se destacaram, dentre as quais diversas espécies das famílias Euphorbiaceae e Convolvulaceae. em contrapartida, as gramíneas tradicionais de áreas de cana colhida queimada tiveram pouco destaque. O índice de Shannon (H) de diversidade de espécies das comunidades variou de 0 a 1,61, e o índice de similaridade entre os talhões (S) foi muito variável. A maioria das espécies ou grupo de espécies apresentou padrão agregado (V/m > 1,00), com valores relativamente altos de índice de agregação (V/m). Entretanto, na maioria dos casos, Cyperus rotundus e as Convolvulaceas apresentaram os maiores índices.

Energia metabolizável do óleo de soja em diferentes níveis de inclusão para frangos de corte nas fases de crescimento e final

Foram conduzidos dois ensaios de metabolismo utilizando-se frangos de corte machos, com o objetivo de determinar o valor de energia metabolizável aparente (EMA) do óleo de soja, o coeficiente de metabolização da matéria seca (CMMS) e a retenção de nitrogênio (RN) em rações isocalóricas, em função de duas idades das aves: crescimento (22 30 dias) e final (42 50 dias) e quatro níveis de inclusão do óleo de soja: 0; 3,3; 6,6 e 9,9%.Os experimentos tiveram duração de oito dias, sendo três dias para adaptação das aves às rações experimentais e cinco dias para coleta de excretas. O valor energético do óleo de soja foi determinado por diferença. O delineamento utilizado nos dois ensaios foi o inteiramente casualizado, com quatro tratamentos e quatro repetições de seis aves cada. Os valores de EMA do óleo de soja, de RN e do CMMS das rações obtidos para os níveis de 3,3; 6,6 e 9,9% de óleo de soja no período de crescimento foram, respectivamente, de 9.437 kcal/kg, 68,22 g e 75,47%; 9307 kcal/kg, 74,80 g e 74,69%; e 8.701 kcal/kg, 69,98 g e 74,93% e para o período final, de 9.558 kcal/kg, 54,03 g e 79,33%; 8.659 kcal/kg, 48,18 g e 77,92%; e 8307 kcal/kg, 52,88 g e 76,28%. Os níveis de inclusão do óleo de soja não influenciaram os valores de EMA, de RN e o do CMMS. A RN foi maior para aves no período de crescimento e o CMMS foi maior para as aves no período final. A EMA do óleo de soja não foi influenciada pelas idades.

Atmospheric Models Applied to DGPS and RTK Network in Brazil: Preliminary Results

Several positioning techniques have been developed to explore the GPS capability to provide precise coordinates in real time. However, a significant problem to all techniques is the ionosphere effect and the troposphere refraction. Recent researches in Brazil, at São Paulo State University (UNESP), have been trying to tackle these problems. In relation to the ionosphere effects it has been developed a model named Mod_Ion. Concerning tropospheric refraction, a model of Numerical Weather Prediction(NWP) has been used to compute the zenithal tropospheric delay (ZTD). These two models have been integrated with two positioning methods: DGPS (Differential GPS) and network RTK (Real Time Kinematic). These two positioning techniques are being investigated at São Paulo State University (UNESP), Brazil. The in-house DGPS software was already finalized and has provided very good results. The network RTK software is still under development. Therefore, only preliminary results from this method using the VRS (Virtual Reference Station) concept are presented.

On the zeros of polynomials: An extension of the Enestrom-Kakeya theorem

This paper presents an extension of the Enestrom-Kakeya theorem concerning the roots of a polynomial that arises from the analysis of the stability of Brown (K, L) methods. The generalization relates to relaxing one of the inequalities on the coefficients of the polynomial. Two results concerning the zeros of polynomials will be proved, one of them providing a partial answer to a conjecture by Meneguette (1994)[6]. (C) 2011 Elsevier B.V. All rights reserved.

Changes in sodium, potassium-ATPase induced by repeated fencamfamine: the roles of cyclic AMP-dependent protein kinase and the nitric oxide-cyclic GMP pathway

Fencamfamine (FCF) is an indirect dopamine agent with effects similar to amphetamine and cocaine. In the present study, we investigate changes in Na,K-ATPase, cyclic AMP-dependent protein kinase (PKA) and nitric oxide synthase (NOS) activity and cyclic GMP levels in the nucleus accumbens (NAc) and striatum (ST) of animals acutely or repeatedly treated with FCF (3.5 mg/kg). Na,K-ATPase had a similar activity in control and repeatedly treated animals, but was reduced in the NAc of the acute group. This enzyme was reduced in the ST in acute and repeatedly treated animals, compared to the control group. Expression of the alpha(1,2,3)-Na,K-ATPase isoforms in the NAc and the ST was not altered in all groups studied. Acute FCF induced a significant increase in PKA activity in both the ST and the NAc. Repeatedly treated animals showed a higher increase in PKA activity in the NAc, but not in the ST, when compared to the acute group. There was also an increase in both NOS activity and cyclic GMP levels only in the NAc of FCF repeatedly treated animals compared to the acute and control groups. We suggest that chronic FCF treatment is linked to a modification in Na,K-ATPase activity through the PKA and NO-cyclic GMP pathway. (C) 2003 Elsevier Ltd. All rights reserved.

Dermatophyte-host relationship of a murine model of experimental invasive dermatophytosis

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)