Isoconversional kinetic analysis of stoichiometric and off-stoichiometric epoxy-amine cures

The curing reaction of stoichiometric and off-stoichiometric diglycidyl ether of bisphenol A (DGEBA) and 1,3-phenylene diamine (m-PDA) mixtures was studied by differential scanning calorimetry, thermogravimetric analysis and rheological measurements. In order to highlight the side reactions such as etherification and homopolymerization, the neat DGEBA and DGEBA/DMBA (N,N-dimethylbenzylamine) mixture were examined. The classical model-fitting and the advanced isoconversional methods were used to determine the activation energy of the different reactions. The advanced isoconversional method leads to a good agreement between isothermal, nonisothermal and rheological results. The effective activation energies of primary amine epoxy reaction, etherification and homopolymerization were estimated to about 55-60, 104 and 170 kJ mol⁻¹, respectively.     

Hereditarily Optimal Realizations of Consistent Metrics

One of the main problems in phylogenetics is to find good approximations of metrics by weighted trees. As an aid to solving this problem, it could be tempting to consider optimal realizations of metrics—the guiding principle being that, the (necessarily unique) optimal realization of a tree metric is the weighted tree that realizes this metric. And, although optimal realizations of arbitrary metrics are, in general, not trees, but rather weighted networks, one could still hope to obtain a phylogenetically informative representation of a given metric, maybe even more informative than the best approximating tree. However, optimal realizations are not only difficult to compute, they may also be non-unique. Here we focus on one possible way out of this dilemma: hereditarily optimal realizations. These are essentially unique, and can be described in a rather explicit way. In this paper, we recall what a hereditarily optimal realization of a metric is and how it is related to the 1-skeleton of the tight span of that metric, and we investigate under what conditions it coincides with this 1-skeleton. As a consequence, we will show that hereditarily optimal realizations for consistent metrics, a large class of phylogentically relevant metrics, can be computed in a straight-forward fashion. Received August 26, 2004     

A new mixed integer programming formulation for facility layout design using flexible bays

This paper presents a mixed-integer programming formulation to find optimal solutions for the block layout problem with unequal departmental areas arranged in flexible bays. The nonlinear department area constraints are modeled in a continuous plane without using any surrogate constraints. The formulation is extensively tested on problems from the literature.     

Antifungal copyrine alkaloids: crystal structure of 3-methylsampangine

3-Methylsampangine, C₁₆H₁₀N₂O, crystallizes in the monoclinic space group P2₁/c witha=7.260(3),b=10.697(5),c=15.342(6) Å, and =102.69(4). All nonhydrogen atoms of this potent antifungal agent are planar to within 0.082 Å. The title compound exhibits potentin vitro antifungal activity againstC. neoformans, C. albicans andA. fumigatus.     

Comparison of irradiated foil measurements with activation calculations and HPGe simulations

Theoretical activation calculations for Fe, Ni, and stainless steel foils were compared against irradiated foil measurements from a critical assembly. Calculated/experiment values spanning 0.62–1.31 showed that the restricted approach used here is insufficient for experiment planning, with the collapsed cross-section being the primary source of error. The effect of decay time on gamma-ray spectroscopy measurement reliability was investigated using a Monte Carlo HPGe detector model. Simulations showed no correlation with decay time, absent interferences. Specific interferences for Fe-59 (Ni) and Co-60 (stainless steel) activation product ratios suggested optimal measurement windows having respective decay times of 9–11 days and 4–7 days.     

Optimizing Antimicrobial Peptide Dendrimers in Chemical Space

We used nearest‐neighbor searches in chemical space to improve the activity of the antimicrobial peptide dendrimer (AMPD) G3KL and identified dendrimer T7 , which has an expanded activity range against Gram‐negative pathogenic bacteria including Klebsiellae pneumoniae, increased serum stability, and promising activity in an in vivo infection model against a multidrug‐resistant strain of Acinetobacter baumannii. Imaging, spectroscopic studies, and a structural model from molecular dynamics simulations suggest that T7 acts through membrane disruption. These experiments provide the first example of using virtual screening in the field of dendrimers and show that dendrimer size does not limit the activity of AMPDs.     

Preparation and Properties of Elastomer Composites Containing “Graphene”-Based Fillers: A Review

Elastomers are materials showing exceptional elasticity and are used for numerous applications. However, their low stiffness as well as their insulating behavior can be limiting so the incorporation of graphene-based materials can help and improve drastically their properties. With high Young's modulus, high electrical and thermal conductivities, graphene and graphene-like fillers seem ideal fillers to effectively tune elastomers properties. With low graphene-like loadings, most elasticity properties of elastomers could be preserved while increasing or adding new properties to the composites to enable new applications. Herein, we focus on the effects of “graphene” incorporation into elastomers and we will highlight the key parameters to effectively monitor the changes.