Effect of chemical modifications on the electronic structure of poly(3-hexylthiophene)

The widespread use of poly(3-hexylthiophene) (P3HT) in the active layers of organic solar cells indicates that it possesses chemical stability and solubility suitable for such an application. However, it would be desirable to have a material that can maintain these properties but with a smaller bandgap, which would lead to more efficient energy harvesting of the solar spectrum. Fifteen P3HT derivatives were studied using the Density Functional Theory. The conclusion is that it is possible to obtain compounds with significantly smaller bandgaps and with solubility and stability similar to that of P3HT, mostly through the binding of oxygen atoms or conjugated organic groups to the thiophenic ring. © 2013 Wiley Periodicals, Inc.

Nutrição e produtividade de grãos da aveia-preta em função da aplicação de calcário e gesso em superfície na implantação do sistema plantio direto

A nutrição e produtividade das culturas podem ser afetadas pelas modificações químicas do solo causadas pela calagem e aplicação de gesso em superfície. Este trabalho objetivou avaliar o efeito da aplicação de calcário e gesso em superfície, na implantação do sistema plantio direto, sobre a nutrição e a produtividade de grãos da aveia-preta, em região de inverno seco, em área anteriormente utilizada com preparo convencional. O experimento foi realizado durante 2003 e 2004, em um Latossolo Vermelho distroférrico, em Botucatu (SP). O delineamento foi de blocos casualizados com parcelas subdivididas e quatro repetições. As parcelas (18,0 x 5,4 m) foram constituídas por quatro doses de calcário dolomítico (0, 1.100, 2.700 e 4.300 kg ha-1), com PRNT = 71,2 %, e as subparcelas (9,0 x 5,4 m) pela aplicação ou não de 2.100 kg ha-1 de gesso agrícola. O aumento no teor de Ca no solo, provocado pela aplicação de calcário e gesso, diminuiu o teor de Mg na folha bandeira da aveia-preta em ano com deficiência hídrica. A aplicação de calcário em superfície aumentou os teores de K e reduziu os de Cu e Fe, e a aplicação de gesso agrícola aumentou o teor de S na folha bandeira da aveia-preta. A calagem em superfície aumentou a produtividade de grãos da aveia-preta, em ano com deficiência hídrica, com efeitos mais pronunciados na presença de aplicação de gesso.

Physical properties of pectin-high amylose starch mixtures cross-linked with sodium trimetaphosphate

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Thin polymer films prepared by plasma immersion ion implantation and deposition

This work describes an investigation of the properties of polymer films prepared by plasma immersion ion implantation and deposition. Films were synthesized from low pressure benzene glow discharges, biasing the samples with 25 W negative pulses. The total energy deposited in the growing layer was varied tailoring simultaneously pulse frequency and duty cycle. The effect of the pulse characteristics on the chemical composition and mechanical properties of the films was studied by X-ray photoelectron spectroscopy (XPS) and nanoindentation, respectively. Analysis of the deconvoluted C 1s XPS peaks demonstrated that oxygen was incorporated in all the samples. The chemical modifications induced structural reorganization, characterized by chain cross-linking and unsaturation, affecting material properties. Hardness and plastic resistance parameter increased under certain bombardment conditions. An interpretation is proposed in terms of the total energy delivered to the growing layer. (C) 2004 Elsevier B.V. All rights reserved.

Surface modification of siloxane containing polyurethane polymer by dielectric barrier discharge at atmospheric pressure

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

Propriedades químicas de um latossolo vermelho distrófico de cerrado sob diferentes usos e manejos

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

Dissociation of enzymatic and pharmacological properties of piratoxins-I and -III, two myotoxic phospholipases A(2) from Bothrops pirajai snake venom

Piratoxins (PrTX) I and III are phospholipases A(2) (PLA(2)s) or PLA(2) homologue myotoxins isolated from Bothrops pirajai snake venom, which also induce myonecrosis, bactericidal activity against Escherichia coli, disruption of artificial membranes, and edema. PrTX-III is a catalytically active hemolytic and anticoagulant Asp49 PLA(2), while PrTX-I is a Lys49 PLA, homologue, which is catalytically inactive on artificial substrates, but promotes blockade of neuromuscular transmission. Chemical modifications of His, Lys, Tyr, and Trp residues of PrTX-I and PrTX-III were performed, together with cleavage of the N-terminal octapeptide by CNBr and inhibition by heparin and EDTA. The lethality, bactericidal activity, myotoxicity, neuromuscular effect, edema inducing effect, catalytic and anticoagulant activities, and the liposome-disruptive activity of the modified toxins were evaluated. A complex pattern of functional differences between the modified and native toxins was observed. However, in general, chemical modifications that significantly affected the diverse pharmacological effects of the toxins did not influence catalytic or membrane disrupting activities. Analysis of structural changes by circular dichroism spectroscopy demonstrated significant changes in the secondary structure only in the case of N-terminal octapeptide cleavage. These data indicate that PrTX-I and PrTX-III possess regions other than the catalytic site, which determine their toxic and pharmacological activities. (C) 2001 Academic Press.

Study of polypropylene surface modification by air dielectric barrier discharge operated at two different frequencies

In this work, air dielectric barrier discharge (DBD) operating at the line frequency (60 Hz) or at frequency of 17 kHz was used to improve the wetting properties of polypropylene (PP). The changes in the surface hydrophilicity were investigated by contact angle measurements. The plasma-induced chemical modifications of PP surface were studied by X-ray photoelectron spectroscopy (XPS) and Fourier-transformed infrared spectroscopy (FTIR). The polymer surface morphology and roughness before and after the DBD treatment were analyzed by atomic force microscopy (AFM). To compare the plasma treatment effect at different frequencies the variation of the contact angle is presented as a function of the deposited energy density. The results show that both DBD treatments leaded to formation of water-soluble low molecular weight oxidized material (LMWOM), which agglomerated into small mounts on the surface producing a complex globular structure. However, the 60 Hz DBD process produced higher amount of LMWOM on the PP surface comparing to the 17 kHz plasma treatment with the same energy dose. The hydrophilic LMWOM is weakly bounded to the surface and can be easily removed by polar solvents. After washing the DBD-treated samples in de-ionized water their surface roughness and oxygen content were reduced and the PP partially recovered its original wetting characteristics. This suggested that oxidation also occurred at deeper and more permanent levels of the PP samples. Comparing both DBD processes the 17 kHz treatment was found to be more efficient in introducing oxygen moieties on the surface and also in improving the PP wetting properties. © 2012 Elsevier B.V. All rights reserved.

Environmental ageing studies of chemically modified micro and nanofibril phenol formaldehyde composites

Cellulose micro and nano fibrils were extracted from banana macro fibres and chemically modified using sodium hydroxide, formic acid, 3-methacryloxy propyltrimethoxy silane. These untreated and chemically treated fibrils were incorporated into PF resin and the specimens were prepared. The composites were subjected to long-term water ageing, thermal ageing soil burial and outdoor weathering. The mechanical properties are reduced under all ageing conditions. The present study investigates the effects of different types of ageing on macro fibre, microfibril and nanofibril reinforced PF composites. The effect of chemical modifications of fibres on the degradability of the composites at different environments also has been analysed. © 2013 Elsevier B.V.

Estudo in vitro das alterações na superfície do titânio comercialmente puro e da liga de titânio Ti -6Al-4V submetida a diferentes tratamentos

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Latenciação de clorexidina para uso potencial em periodontites

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Avaliação da atividade antiinflamatória, antitumoral e antiangiogênica de compostos isolados da planta Alchornea glandulosa e de fungos endofíticos a ela relacionados

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Treatment of polycarbonate by dielectric barrier discharge (DBD) at atmospheric pressure

Generally most plastic materials are intrinsically hydrophobic, low surface energy materials, and thus do not adhere well to other substances. Surface treatment of polymers by discharge plasmas is of great and increasing industrial application because it can uniformly modify the surface of sample without changing the material bulk properties and is environmentally friendly. The plasma processes that can be conducted under ambient pressure and temperature conditions have attracted special attention because of their easy implementation in industrial processing. Present work deals with surface modification of polycarbonate (PC) by a dielectric barrier discharge (DBD) at atmospheric pressure. The treatment was performed in a parallel plate reactor driven by a 60Hz power supply. The DBD plasmas at atmospheric pressure were generated in air and nitrogen. Material characterization was carried out by contact angle measurements, and X-ray photoelectron spectroscopy (XPS). The surface energy of the polymer surface was calculated from contact angle data by Owens-Wendt method using distilled water and diiodomethane as test liquids. The plasma-induced chemical modifications are associated with incorporation of polar oxygen and nitrogen containing groups on the polymer surface. Due to these surface modifications the DBD-treated polymers become more hydrophilic. Aging behavior of the treated samples revealed that the polymer surfaces were prone to hydrophobic recovery although they did not completely recover their original wetting properties.

Effect of bleaching agents and soft drink on titanium surface topography

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

Síntese e caracterização de copolímeros de polietilenoglicol monometil éter em quitosana cationizada para futuras aplicações em biotecnologia

Pós-graduação em Química - IQ