Dye-Sensitized Solar Cell Based on a Blend of Hyperbranched Poly(aryl-ether-urethane) Electrolyte with TiO2 Nanoparticles

Hyperbranched poly(aryl-ether-urethane) is reported in this work as an efficient polymer electrolyte for photovoltaic application. Along with KI and I₂ as redox carriers in nanocrystalline dye-sensitized solar cell (DSC), this polymer yielded an overall conversion efficiency of 4.1%, upon illumination with visible light. The fabricated cell results in stable device performing under thermal stress maintaining about 70% of its initial value for 2 days in the direct atmosphere without sealing.     

Differential geometry of the quantum 3-dimensional space

A Hopf algebra structure of the extended three-dimensional quantum space is defined. A differential algebra of the extended three-dimensional quantum space is introduced and its Hopf algebra structure is explicitly given. The (undeformed) Lie algebra of three dimensional quantum space is obtained.     

Patterns with high rhythmicity levels in multicomponent Liesegang systems.

Liesegang banding is the display of rhythmic strata of precipitate as co-precipitate ions interdiffuse in a gel medium. Complex periodic patterns as well as aperiodic structures could emerge, notably in systems where more than one salt is precipitated. The use of three cations (Co2+) Ni2+, and Mg2+) in the banded precipitation of their hydroxides resulted in an unusual pattern with a consistently increasing rhythmicity. A periodic structure marked by the succession of band multiplets with increasing number of bands (from singlets to doublets to triplets to quadruplets, consistently) was observed. Such rhythmic patterns are obtained as the initial Mg2+ concentration ([Mg2+]0), chosen as a control parameter, increases through a critical value. At high [Mg2+]0, the trend breaks after a long time elapses. Two types of bifurcation are therefore experienced by such a system: concentration bifurcation and diffusive (time/space) bifurcation. The dynamics is elucidated on the basis of an analysis of the bands in certain groups, and gel regions between these groups, as well as between group blocs (here, a bloc denotes a succession of multiplet groups, with repetitively the same number of bands). Finally, similarities between our system and naturally occurring rhythmic patterns are emphasized and discussed.     

Synthesis and deblocking of cardanol‐ and anacardate‐blocked toluene diisocyanates

Methyl anacardate and secondary butyl anacardate were prepared from anacardic acid and corresponding alcohols and were used, in addition to cardanol, as blocking agents for 2,4‐toluene diisocyanate (TDI). Blocked diisocyanate adducts were characterized via nitrogen estimation, Fourier transform infrared spectroscopy, and proton nuclear magnetic resonance spectroscopy. The deblocking temperatures of the adducts were determined using an FTIR spectrophotometer in conjunction with the carbon dioxide evolution method. The gel times of hydroxyl‐terminated polybutadiene–TDI adducts also were determined. Deblocking temperature and gel time analyses revealed that cardanol‐blocked 2,4‐TDI deblocks at a lower temperature and at a higher rate compared with anacardate‐blocked adducts. In addition, it was found that the electron‐withdrawing ester group reduces the deblocking temperature of the adduct only when it is in solvated form. All adducts were waxy solids that were found to be soluble in polyether polyol, polyester polyol, and polyhydrocarbon polyols. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 4047–4055, 2004     

New antifungal cholestane and aldehyde derivatives from the red alga Laurencia papillosa

The chloroform/methanol extract of the red alga, Laurencia papillosa, collected from the Red Sea in Saudi Arabia, was found to contain two cholestane derivatives: 3alpha, 6alpha-dihydroxy-5beta-cholestan-12-one (1) and the known, 6beta-hydroxycholest-4-en-3-one (2), which was isolated separately in a pure form for the first time. In addition to these compounds, a new aldehyde derivative, (E)-2-{(E) tridec-2-en-2-yl} heptadec-2-enal (3), was isolated. The structures of all compounds were established based on extensive spectroscopic (1D and 2D NMR, UV, IR) and mass spectrometric studies. All compounds, except 2, were tested for their antifungal activity. Significant activities were associated with 1 and 3 against Candida albicans, Aspergillus fumigatus, and A. flavus.     

Rhythmic precipitate patterns and fractal structure

Liesegang patterns of parallel precipitate bands are obtained when solutions containing co-precipitate ions interdiffuse in a 1D gel matrix.The sparingly soluble salt formed,displays a beautiful stratification of discs of precipitate perpendicular to the 1D tube axis.The Liesegang structures are analyzed from the viewpoint of their fractal nature.Geometric Liesegang patterns are constructed in conformity with the well-known empirical laws such as the time,band spacing and band width laws.The dependence of the band spacing on the initial concentrations of diffusing(outer)and immobile(inner)electrolytes(A0 and B0,respectively)is taken to follow the Matalon-Packter law.Both mathematical fractal dimensions and box-count dimensions are calculated.The fractal dimension is found to increase with increasing A0 and decreasing B0.We also analyze mosaic patterns with random distribution of crystallites,grown under different conditions than the classical Liesegang gel method,and report on their fractal properties.Finally,complex Liesegang patterns wherein the bands are grouped in multiplets are studied,and it is shown that the fractal nature increases with the multiplicity.     

Optimization of a quarter-car suspension model coupled with the driver biomechanical effects

In this paper a Human-Vehicle-Road (HVR) model, comprising a quarter-car and a biomechanical representation of the driver, is employed for the analysis. Differential equations are provided to describe the motions of various masses under the influence of a harmonic road excitation. These equations are, subsequently, solved to obtain a closed form mathematical expression for the steady-state vertical acceleration measurable at the vehicle-human interface. The solution makes it possible to find optimal parameters for the vehicle suspension system with respect to a specified ride comfort level. The quantitative definition given in the ISO 2631 standard for the ride comfort level is adopted in this paper for the optimization procedure. Numerical examples, based on actually measured road profiles, are presented to prove the validity of the proposed approach and its suitability for the problem at hand.     

esfMRI of the upper STS: further evidence for the lack of electrically induced polysynaptic propagation of activity in the neocortex

Combining electrical stimulation with fMRI (esfMRI) has proven to be an important tool to study the global effects of electrical stimulation on neural networks in the brain. Here we extend our previous studies to stimulating the upper superior temporal sulcus (STS) in the anesthetized monkey. Our results show that stimulating area V5/MT and surrounding areas leads to positive BOLD responses in the majority of cortical areas known to receive direct/monosynaptic connections from the stimulation site. We confirm our previous results from stimulating primary visual cortex that the propagation of electrically induced activity is limited in its transsynaptic propagation to the first synapse also for extrastriate areas.     

Quantum chemical calculation,topological analysis,biological evaluation and molecular docking of allo-ocimenol against breast cancer

The main aim of this study is to identify the structural stability of allo-ocimenol and its molecular reactivity against breast cancer-associated proteins to confirm its anti-cancer capability using density function theory and molecular docking analysis. The structural optimization was carried out via the DFT/B3LYP technique with a 6-311++G (d,p) basis set. The molecular geometry and vibrational assignments of the Allo-Ocimenol molecule were analyzed through density functional theory (DFT). Through optimized molecular structure, the vibrational frequencies (FT-IR and FT-Raman) were assigned and related with experimentally observed vibrational frequencies and the UV spectrum was computed and experimentally confirmed. The allo-ocimenol's reactive activity was further analyzed through a computed molecular electrostatic potential surface. Utilizing the HOMO-LUMO energies and molecular electrostatic potential energy gap, the reactivity and molecular stability of the allo-ocimenol molecule was calculated. Mulliken and natural population analyses were used to determine the charge distribution across the allo-ocimenol atoms. The natural bond orbitals were used to demonstrate the bioactivity of the titled molecule. RDG evaluation was used to examine the weak interactions of the allo-ocimenol molecule. ELF and LOL analyses were utilized to investigate the topology of the allo-ocimenol molecule. Thermodynamic evaluation has been utilized to acquire values and asses the thermodynamic parameters that reveal the thermal stability of the title molecule. Allo-Ocimenol's anti-microbial activity was assessed through an in-vitro disc diffusion method, and its tumor inhibitory and pharmacokinetic properties were evaluated through an in-silico approach using molecular docking and ADMET investigation. Zones of clearance were seen in anti-microbial analyses at various concentrations, and the breast cancer target protein NAMPT established the greatest binding potential, with a docking value of −7.4 Kcal mol⁻¹.