Effect of the Terminal Acceptor Unit on the Performance of Non-Fullerene Indacenodithiophene Acceptors in Organic Solar Cells

Four acceptor–donor–acceptor (A–D–A)-type molecules bearing indacenodithiophene as donating central core and various end-capping acceptor units have been designed and synthesised as n-type materials suitable for organic solar cells (OSCs). The studied optical and electrochemical properties supported by theoretical calculations revealed that the nature and the strength of the terminal groups exert a decisive influence on the polymer bulk-heterojunction OSC performance.     

Synthetic UDP-furanoses as potent inhibitors of mycobacterial galactan biogenesis

UDP-galactofuranose (UDP-Galf) is a substrate for two types of enzymes, UDP-galactopyranose mutase and galactofuranosyltransferases, which are present in many pathogenic organisms but absent from mammals. In particular, these enzymes are involved in the biosynthesis of cell wall galactan, a polymer essential for the survival of the causative agent of tuberculosis, Mycobacterium tuberculosis. We describe here the synthesis of derivatives of UDP-Galf modified at C-5 and C-6 using a chemoenzymatic route. In cell-free assays, these compounds prevented the formation of mycobacterial galactan, via the production of short "dead-end" intermediates resulting from their incorporation into the growing oligosaccharide chain. Modified UDP-furanoses thus constitute novel probes for the study of the two classes of enzymes involved in mycobacterial galactan assembly, and studies with these compounds may ultimately facilitate the future development of new therapeutic agents against tuberculosis.     

Ab initio calculations of electronic interactions in inclusion complexes of calix- and thiacalix[n]arenes and block s cations

Ab initio calculations at the HF/6-31G(d) level of theory were performed on a series of thiacalix[4]arenes and calix[6]arenes in presence and in absence of monovalent (Li⁺, Na⁺ and Cs⁺) and divalent cations (Ca²⁺ and Ba²⁺) respectively, in order to evaluate their particular bonding properties as host systems towards electrically charged species. NBO, as well as NBO deletion calculations were undertaken to evaluate the energy difference in the circular hydrogen bonding at the lower rim once an ion was placed inside the cavity. Disruption of this H-bonded system is dependent on the position of the ion within the guest and not on its ionic ratio. The basis set superposition error and the NBO deletion energy between the host and guest species were calculated in order to assess the interaction energy between them.     

Characterization of PVA and Chitosan/PVA Blends Prepared from Aqueous Solutions of Various Na2SO4 Concentrations

Uniplaner orientation of a particular crystal plane along the surface of a film was investigated for poly (vinyl alcohol) (PVA) film prepared by a coagulation bath with concentrated aqueous solution containing 100 ∼ 300g of Na₂SO₄ against 1 ℓ of water. The orientation distribution functions of the three crystallographic principal axes of the dried films were obtained by the X-ray diffraction technique. The same treatment was carried out for the films prepared by stretching biaxially of the fresh gel and then by drying the resultant fresh gel. The very high preferential orientation of the crystal chain axes and amorphous chain segments could be realized by the biaxially elongation. Accordingly, the techniques were applied to the biaxially stretching of chitosan and PVA blend films with high Young's modulus. The planer orientation of the chain axes of chitosan and PVA crystallites could be confirmed. The morphology of the film surface was estimated by measurements of contact angle and electron spectroscopy for chemical analysis. The results suggested that the admixture of chitosan decreases wet ability of the specimen and this tendency was slightly enhanced by the biaxially elongation.     

Strong solutions for semilinear wave equations with damping and source terms

This article deals with local existence of strong solutions for semilinear wave equations with power-like interior damping and source terms. A long-standing restriction on the range of exponents for the two nonlinearities governs the literature on wellposedness of weak solutions of finite energy. We show that this restriction may be eliminated for the existence of higher regularity solutions by employing natural methods that use the physics of the problem. This approach applies to the Cauchy problem posed on the entire ? ⁿ as well as for initial boundary problems with homogeneous Dirichlet boundary conditions.     

Diffusion phenomenon in Hilbert spaces and applications

We prove an abstract version of the striking diffusion phenomenon that offers a strong connection between the asymptotic behavior of abstract parabolic and dissipative hyperbolic equations. An important aspect of our approach is that we use in a natural way spectral analysis without involving complicated resolvent estimates. Our proof of the diffusion phenomenon does not use the individual behavior of solutions; instead we show that only their difference matters. We estimate the Hilbert norm of the difference in terms of the Hilbert norm of solutions to the parabolic problems, which allows us to transfer the decay from the parabolic to the hyperbolic problem. The application of these estimates to operators with Markov property combined with a weighted Nash inequality yields explicit and sharp decay rates for hyperbolic problems with variable (x-dependent) coefficients in exterior domains. Our method provides new insight in this area of extensive research which was not well understood until now.     

Electronic and Optical Properties of Some Polysulfone-Polydimethylsiloxane Copolymers in Thin Films

Polysulfone (PSF)-polydimethylsiloxane (PDMS) block copolymers (PSF-b-PDMS) with various compositions were prepared by condensing chloro-terminated polysulfone oligomers with α, ω -dihydrogensilyl-polydimethylsiloxane in refluxing chlorobenzene solution in the presence of urea as a hydrogen chloride acceptor. The temperature dependences of the electrical conductivity and thermoelectric power (Seebeck coefficient) of copolymers were studied using thin films deposited from a dimethylformamide solution (spin coating method) onto glass substrates. It was established that the various copolymers showed typical semiconducting properties. Some correlations between these properties (activation energy, ratio of carrier mobilities, etc) and molecular structure of the copolymers were found. A model based on band gap representation was found to be suitable for explanation of the electronic transport mechanism through the studied copolymers in thin films. The study of the transmission and absorption spectra (in the spectral range from 300 nm to 1400 nm) evidenced that the indirect allowed optical transitions were predominant. The values of the optical energy band gap (ranged between 1.50 eV and 1.70 eV) are in agreement with values of width of the forbidden band calculated from the temperature dependence of the electrical conductivity.     

Synthesis,properties, and fungal degradation of castor-oil-based polyurethane composites with different cellulose contents

Different contents of bonded cellulose were dispersed in a matrix of castor-oil-based polyurethane to produce composites with high susceptibility to fungal attack. We chose to bond the cellulose filler with free diisocyanate, to increase the crosslinking density. Measurements indicated physical and chemical interactions between the polyurethane matrix and cellulose filler. The cellulose network significantly enhanced the interfacial adhesion and thus improved the thermal stability and Young’s modulus of the composites. The influences of the amount of cellulose on the surface chemical structure, surface morphology, and mechanical properties after fungal attack were also investigated. The tensile strength and elongation at break of these composites substantially decreased after exposure to fungus. These composites with high content of renewable raw materials present an optimal balance of physical properties and biodegradability, with potential applications as ecofriendly biomaterials.     

On the Electrical and Optical Properties of Some Poly(Azomethine Sulfone)s in Thin Films

Poly(azomethine sulfone)s were synthesized by reacting 4,4′-sulfonyl bis(4-chlorophenyl) with 2,2-bis(4-hydroxyphenyl)propane and azomethine bisphenol in different molar ratios. Thin films were deposited from solution onto glass substrates. Study of the temperature dependences of the electrical conductivity, σ, and Seebeck coefficient, S, were performed in the temperature range 300 K–500 K. Thermal activation energies of electrical conduction, E_a , calculated from these dependences, ranged between 1.50 eV and 1.85 eV. The values of E_a were smaller for polymers with extended conjugation systems. The possibility to use the polymers in thermistor technology is discussed. The aspect of the temperature dependences of σ and S shows that a model based on the energy band-gap representation can be successfully used for explaining the electronic transport mechanism in the higher temperature range. In the lower temperature range, the mechanism of the electrical conduction is discussed in terms of the Mott variable range hopping conduction. The values of some optical parameters (absorption coefficient, optical band gap, etc.) were determined from transmission spectra.