pePC-SAFT: Modeling of polyelectrolyte systems: 1. Vapor–liquid equilibria

A molecular thermodynamic model for polyelectrolyte systems—called pePC-SAFT—is proposed. The effect of charged monomers within the polyelectrolyte chain is explicitly taken into account in the reference term by replacing the hard-chain contribution of the PC-SAFT model by a charged-hard-chain contribution. Moreover, counterion condensation is accounted for to determine the effective number of charges along the polyion as well as of free counterions. The electrostatic contribution of the free counterions is described by a Debye–Hückel term.     

Effect of substitution of K ions on the structural and electrical properties of nanocrystalline MgAl2O4 spinel oxide

Potassium substituted nanosized magnesium aluminates having a nominal composition Mg_1−xK_xAl₂O₄ where x=0.0, 0.25, 0.5, 0.75, 1.0 have been synthesized by the chemical co-precipitation method. The samples have been characterized by means of X-ray diffraction (XRD), scanning electron microscope (SEM), and dc electrical resistivity measurements. The XRD results reveal that the samples are spinel single phase cubic close packed crystalline materials. The calculated crystallite size ranges between 6 and 8 nm. The behaviour of the lattice constant seems to deviate from the Vegard's law. While X-ray density clearly increases, the bulk density and consequently, the percentage porosity do not exhibit a significant change on increasing the K⁺ content. The SEM micrographs suggest homogeneous distribution of the nanocrystallites in the samples. The dc electrical resistivity exhibits a typical semiconducting behaviour. Substitution of a Mg²⁺ ion by a K⁺ ion provides an extra hole to the system, which forms small polaron. Thermally activated hopping of these small polarons is believed to be the conduction mechanism in the Mg_1−xK_xAl₂O₄. The activation energy of hopping of small polarons has been calculated and found K⁺ ions content dependent.     

Adult survival in Partridge-Barton model of biological aging

A Monte Carlo simulation of the Partridge-Barton model is presented which in a limiting case gives extreme senescence in the sense of immediate death after sexual maturity.     

Bioconversion potential of Trichoderma viride HN1 cellulase for a lignocellulosic biomass Saccharum spontaneum

The industrialisation of lignocellulose conversion is impeded by expensive cellulase enzymes required for saccharification in bioethanol production. Current research undertakes cellulase production from pretreated Saccharum spontaneum through Trichoderma viride HN1 under submerged fermentation conditions. Pretreatment of substrate with 2% NaOH resulted in 88% delignification. Maximum cellulase production (2603 ± 16.39 U/mL/min carboxymethyl cellulase and 1393 ± 25.55 U/mL/min FPase) was achieved at 6% substrate at pH 5.0, with 5% inoculum, incubated at 35°C for 120 h of fermentation period. Addition of surfactant, Tween 80 and metal ion Mn⁺², significantly enhanced cellulase yield. This study accounts proficient cellulase yield through process optimisation by exploiting cheaper substrate to escalate their commercial endeavour.     

Effects of exponential volume fraction law on the natural frequencies of FGM cylindrical shells under various boundary conditions

In the present work, vibration characteristics of thin functionally graded cylindrical shells are studied under the influence of various boundary conditions. Fabrication of FGM cylindrical shell is carried out by using exponential volume fraction law. Strain- and curvature-displacements relationships are taken from Love’s thin shell theory. The frequency equation in the form of eigenvalue problem is obtained by adapting the Rayleigh-Ritz method. Characteristic beam functions are assumed to approximate the axial modal dependence. Effects of exponential volume fraction law on the natural frequencies of the FGM cylindrical shells for various boundary conditions are studied against circumferential wave number, length to radius ratio and thickness to radius ratio for different values of power law exponents. Results evaluated show good agreement with those available in the literature.     

Noether, partial Noether operators and first integrals for a linear system

We obtain Noether and partial Noether operators corresponding to a Lagrangian and a partial Lagrangian for a system of two linear second-order ordinary differential equations (ODEs) with variable coefficients. The canonical form for a system of two second-order ordinary differential equations is invoked and a special case of this system is studied for both Noether and partial Noether operators. Then the first integrals with respect to Noether and partial Noether operators are obtained for the linear system under consideration. We show that the first integrals for both the Noether and partial Noether operators are the same. This can give rise to further studies on systems from a partial Lagrangian viewpoint as systems in general do not admit Lagrangians.     

Kawasaki dynamics with infinite-range spin exchange

The essential feature of the Kawasaki model is the conserved order parameter, which places the model in class B of the Halperin, Hoheberg, and Ma classification. We have studied the energy relaxation of this model in one and two dimensions with the added feature that spin exchange may take place between any pair of sites within the system. Our results for the dynamic exponentz are indistinguishable from those for class A models, in which the order parameter is not conserved.     

Mechanism and substrate stereochemistry of 2-amino-3-oxobutyrate CoA ligase: implications for 5-aminolevulinate synthase and related enzymes

The condensation process catalysed by 2-amino-3-oxobutyrate CoA ligase (KBL; also known as 2-amino-3-ketobutyrate ligase) involves the loss of the pro-R hydrogen atom of glycine and occurs with the inversion of stereochemistry; a similar scenario is envisaged for the condensation step of other alpha-oxoamine synthases.