Blending chitosan with polycaprolactone: porous scaffolds and toxicity

The preparation and characterization of porous scaffolds from chitosan-PCL blends by freeze extraction, freeze gelation and freeze drying is reported. Using freeze extraction, stable structures were obtained only from PCL, but these were not porous. No stable scaffolds were obtained using the freeze gelation process. Stable scaffolds of chitosan/PCL mixtures could not be obtained using 77% acetic acid by any of these techniques. With 25% aqueous acetic acid, stable scaffolds of chitosan/PCL mixtures were obtained by the freeze drying technique. The stability and pore morphology of freeze dried scaffolds were dependent on the relative mass ratio of chitosan and PCL. A chorioallantoic membrane assay showed that formed 3D chitosan/PCL mixtures were not toxic to vasculature.     

Comparative study of temperature dependent orientational relaxation in a model thermotropic liquid crystal and in a model supercooled liquid

Recent optical Kerr effect experiments have revealed a power law decay of the measured signal with a temperature independent exponent at short-to-intermediate times for a number of liquid crystals in the isotropic phase near the isotropic-nematic transition and supercooled molecular liquids above the mode coupling theory critical temperature. In this work, the authors investigate the temperature dependence of short-to-intermediate time orientational relaxation in a model thermotropic liquid crystal across the isotropic-nematic transition and in a binary mixture across the supercooled liquid regime in molecular dynamics simulations. The measure of the experimentally observable optical Kerr effect signal is found to follow a power law decay at short-to-intermediate times for both systems in agreement with recent experiments. In addition, the temperature dependence of the power law exponent is found to be rather weak. As the model liquid crystalline system settles into the nematic phase upon cooling, the decay of the single-particle second-rank orientational time correlation function exhibits a pattern that is similar to what has been observed for supercooled liquids.     

Parallel synthesis of indolylquinones and their cell-based insulin mimicry

A synthetic route to bis-indolyldihydroxybenzoquinones was adapted for parallel organic synthesis. The route involves selective conjugate addition of an indole to dichlorobenzoquinone promoted by Br?nsted acid, followed by a Lewis acid-promoted conjugate addition of a second indole and a final hydrolysis. Methods for high-throughput purification of the products of this synthesis were also developed. Using these methods, we prepared a library whose structures are based on asterriquinone natural products, which have a wide range of biological activities. In this report, the activities of the library members in activation of the insulin receptor on mammalian cells were examined. Novel compounds were discovered that fall outside earlier developed structure-activity relationships for insulin mimics, supporting the value of systematic investigation (inspired by Nature) for the discovery of novel biologically active molecules.     

Statistical mechanics of money: how saving propensity affects its distribution

We consider a simple model of a closed economic system where the total money is conserved and the number of economic agents is fixed. Analogous to statistical systems in equilibrium, money and the average money per economic agent are equivalent to energy and temperature, respectively. We investigate the effect of the saving propensity of the agents on the stationary or equilibrium probability distribution of money. When the agents do not save, the equilibrium money distribution becomes the usual Gibb's distribution, characteristic of non-interacting agents. However with saving, even for individual self-interest, the dynamics becomes cooperative and the resulting asymmetric Gaussian-like stationary distribution acquires global ordering properties. Intriguing singularities are observed in the stationary money distribution in the market, as functions of the marginal saving propensity of the agents. Received 2 May 2000     

A numerical experiment in DLCQ: microcausality, continuum limit and all that

Issues related with microcausality violation and continuum limit in the context of (1+1) dimensional scalar field theory in discretized light-cone quantization (DLCQ) are addressed in parallel with discretized equal time quantization (DETQ) and the fact that Lorentz invariance and microcausality are restored if one can take the continuum limit properly is emphasized. In the free case, it is shown with numerical evidence that the continuum results can be reproduced from DLCQ results for the Pauli–Jordan function and the real part of Feynman propagator. The contributions coming from k⁺ near zero region in these cases are found to be very small. In the interacting case, aspects related to the continuum limit of DLCQ results in perturbation theory in momentum space are discussed.     

Ring currents in condensed ring systems

We have studied magnetism and aromaticity of polycyclic ring systems by analyzing ring currents for different circulations in these molecules. The technique employed for calculating ring currents uses correction vectors which implicitly includes all the eigenstates of the Hamiltonian in the space of the chosen configurations. We have employed the Pariser–Parr–Pople Hamiltonian and have carried out full configuration interaction (CI) calculations for small systems and approximate CI calculations for large systems. The systems studied include polyacenes, nonaromatic ring systems including the C₆₀ fragments pyracylene, fluoranthene, and corannulene, and heteroatomic systems with upto two six-membered rings. We find that in polyacenes, the aromaticity of the extreme phenyl rings reduces with increasing number of phenyl rings in the system, and it saturates at ≈⅔ the benzene value. In systems containing nonaromatic rings, we find paramagnetic or diamagnetic behavior for different circulations depending upon the number of atoms in the chosen ring cycle, in agreement with the 4n+2 rule. In corannulene, the largest fragment of C₆₀ we have studied, the five-membered ring is weakly diamagnetic while the six-membered ring is more diamagnetic, although much less than in isolated benzene. The ring structures with heteroatoms studied are pyridine, pyrimidine, and its isomers, s-triazine, quinoline and its isomer, and quinazoline and its isomers. All these have similar ring currents as in their purely carbon counterparts, although ions of these molecules show interesting behavior. © 1998 John Wiley & Sons, Inc. Int J Quant Chem 70: 503–513, 1998     

An unusual synthesis of 3-(2-(arylamino)thiazol-4-yl)-2H-chromen-2-ones from ethyl 2-(chloromethyl)-2-hydroxy-2H-chromene-3-carboxylate via benzopyran ring opening

An unusual and unexpected synthesis of 3-(2-(arylamino)thiazol-4-yl)-2H-chromen-2-ones has been observed by the reaction of ethyl 2-(chloromethyl)-2-hydroxy-2H-chromene-3-carboxylate with various arylthioureas in ethanol under mild reaction conditions with excellent yields. The ambiguity in the structure of the obtained products has been solved by recording its single-crystal X-ray analysis. This protocol has been found to be a novel approach for the preparation of title compounds via benzopyran ring opening. A systematic plausible mechanism has been proposed for the formation of the product. Also, an efficient one-pot three-component method has been demonstrated for the formation of title compounds starting from salicylaldehyde.

     

Influence of container material on the heat transfer characteristics of nanofluids

The average and local thermal conductivity measurements of water-based Ag-nanofluid held in polypropylene and metallic containers using transient hot-wire method revealed a new phenomenon. The local thermal conductivity of water-based Ag nanofluid measured at different locations of containers was found to depend strongly upon the metallic container, but not on the polypropylene container. Similar observations have been found in water-based NiAl nanofluid, but not in water-based Al₂O₃ nanofluid. In contrast, this phenomenon was not observed for ethylene glycol-based Ag nanofluid, possibly due to the insignificant charge on the container wall, which partly explains the diversity in thermal conductivity by different researchers.     

The Kolkata Paise Restaurant problem and resource utilization

We study the dynamics of the “Kolkata Paise Restaurant problem”. The problem is the following: In each period, N agents have to choose between N restaurants. Agents have a common ranking of the restaurants. Restaurants can only serve one customer. When more than one customer arrives at the same restaurant, one customer is chosen at random and is served; the others do not get the service. We first introduce the one-shot versions of the Kolkata Paise Restaurant problem which we call one-shot KPR games. We then study the dynamics of the Kolkata Paise Restaurant problem (which is a repeated game version of any given one shot KPR game) for large N. For statistical analysis, we explore the long time steady state behavior. In many such models with myopic agents we get under-utilization of resources, that is, we get a lower aggregate payoff compared to the social optimum. We study a number of myopic strategies, focusing on the average occupation fraction of restaurants.     

Stacking of multilayer InAs quantum dots with combination capping of InAlGaAs and high temperature grown GaAs

We are reporting the growth of multilayer stacks of quantum dots (10 periods) with a combination capping of In_0.21Al_0.21Ga_0.58As (30 Å) and GaAs (70–180 Å) grown by solid source molecular beam epitaxy (MBE). Reflection high energy electron diffraction (RHEED) has been used for the insitu monitoring of quantum dot (QD) formation in heterostructure samples. The samples were also characterized by other exsitu techniques like cross sectional transmission electron microscopy (XTEM) and photoluminescence measurements (PL). For a heterostructure sample with thin barrier thickness (<100 Å), an XTEM image showed the stacking of QDs only up to the 5th layer and in the upper layers there was hardly any formation of dots. We presume the stoppage of dot formation is due to the uneven surface of the InAlGaAs alloy overgrown on the InAs QDs, as a result of the local compositional deviations of the Group-III atoms. Samples grown with thicker barriers (>100 Å of GaAs) showed good stacking of islands until the tenth layer. The thick GaAs layer overgrown on the InAlGaAs at 590 ^°C is believed to remove the surface modifications of the quaternary layer thereby creating a smoother surface front for the growth of subsequent QD layers.