Kinetics of Surfactant-induced Aggregation of Lysozyme Studied by Fluorescence Spectroscopy

The study of protein conformational changes in the presence of surfactants and lipids is important in the context of protein folding and misfolding. In the present study, we have investigated the mechanism of the protein conformational change coupled with aggregation leading to size growth of Hen Egg White Lysozyme (HEWL) in the presence of an anionic detergent such as sodium dodecyl sulphate (SDS) in alkaline pH. We have utilized intrinsic protein fluorescence (tryptophan) and extrinsic fluorescent reporters such as 8-anilinonaphthalene-1-sulfonic acid (ANS), dansyl and fluorescein to follow the protein conformational change in real-time. By analyzing the kinetics of fluorescence intensity and anisotropy of multiple fluorescent reporters, we have been able to delineate the mechanism of surfactant-induced aggregation of lysozyme. The kinetic parameters reveal that aggregation proceeds with an initial fast-phase (conformational change) followed by a slow-phase (self-assembly). Our results indicate that SDS, below critical micelle concentration, induces conformational expansion that triggers the aggregation process at a micromolar protein concentration range.     

A High-Order Immersed Boundary Method for Acoustic Wave Scattering and Low-Mach Number Flow-Induced Sound in Complex Geometries

A new sharp-interface immersed boundary method based approach for the computation of low-Mach number flow-induced sound around complex geometries is described. The underlying approach is based on a hydrodynamic/acoustic splitting technique where the incompressible flow is first computed using a second-order accurate immersed boundary solver. This is followed by the computation of sound using the linearized perturbed compressible equations (LPCE). The primary contribution of the current work is the development of a versatile, high-order accurate immersed boundary method for solving the LPCE in complex domains. This new method applies the boundary condition on the immersed boundary to a high-order by combining the ghost-cell approach with a weighted least-squares error method based on a high-order approximating polynomial. The method is validated for canonical acoustic wave scattering and flow-induced noise problems. Applications of this technique to relatively complex cases of practical interest are also presented.     

On simplifying ‘incremental remap’–based transport schemes

The flux-form incremental remapping transport scheme introduced by Dukowicz and Baumgardner [1] converts the transport problem into a remapping problem. This involves identifying overlap areas between quadrilateral flux-areas and regular square grid cells which is non-trivial and leads to some algorithm complexity. In the simpler swept area approach (originally introduced by Hirt et al. [2]) the search for overlap areas is eliminated even if the flux-areas overlap several regular grid cells. The resulting simplified scheme leads to a much simpler and robust algorithm.     

Fuel spray visualization and its impingement analysis on in-cylinder surfaces in a direct-injection spark-ignition engine

Abstract  

Experiments are performed to investigate the effects of fuel spray on in-cylinder mixture preparation and its impingement on cylinder walls and piston top inside a direct-injection spark-ignition engine with optical access to the cylinder. Novel image processing algorithms are developed to analyze the fuel impingement quantitatively on in-cylinder surfaces. The technique is useful to optimize the fuel pressure, injection timing and the number of injections to minimize the fuel impingement on in-cylinder surfaces. E85, which represents a blend of 85% ethanol and 15% gasoline (by volume) is used in this study. Two types of fuel injectors are used; (i) low-pressure production-intent injector with fuel pressure of 3 MPa, and (ii) high-pressure production injector with fuel pressures of 5 and 10 MPa. In addition, the effects of split injection are also presented by maintaining the same amount of fuel used in single injection. It is found that the split injection is an effective way to reduce the overall fuel impingement on in-cylinder surfaces while maintaining a reasonably good air–fuel mixture in the cylinder.     

The temperature evolution of the magnetic correlations in pure and diluted spin ice Ho2−xYxTi2O7

Diffuse polarized neutron scattering studies have been carried out on single crystals of pyrochlore spin ice Ho_2−xY_xTi₂O₇ (x=0, 0.3, and 1) to investigate the effects of doping and anisotropy on spin correlations in the system. The crystals were aligned with the (1 −1 0) orientation coincident with the direction of neutron polarization. For all the samples studied the spin flip (SF) diffuse scattering (i.e. the in-plane component) reveals that the spin correlations can be described using a nearest-neighbour spin ice model (NNSM) at higher temperatures (T=3.6 K) and a dipolar spin ice model (DSM) as the temperature is reduced (T=30 mK). In the non-spin flip (NSF) channel (i.e. the out-of-plane component), the signature of strong antiferromagnetic correlations is observed for all the samples at the same temperature as the dipolar spin ice behaviour appears in the SF channel. Our studies show that the non-magnetic dopant Y does not significantly alter SF or NSF scattering for the spin ice state, even when Y doping is as high as 50%. In this paper, we focus on the experimental results of the highly doped spin ice HoYTi₂O₇ and compare our results with pure spin ice Ho₂Ti₂O₇. The crossover from a dipolar to a nearest-neighbour spin ice behaviour and the doping insensitivity in spin ices are briefly discussed.     

Effect of mixed glass formers on the crystallization kinetics in AgI–Ag<Subscript>2</Subscript>O–V<Subscript>2</Subscript>O<Subscript>5</Subscript>–MoO<Subscript>3</Subscript> glassy superionic system

The crystallization and glass transition kinetics using differential scanning calorimetry (DSC) in 50AgI–33.33Ag₂O–16.67[(V₂O₅)_1−x –(MoO₃) _x ] superionic glassy system is discussed. Thermal stability of glass, studied using various criteria, does not vary significantly with glass former variation. However, the activation energies for structural relaxation (E _s) at glass transition temperature and crystallization (E _c) obtained using Moynihan and Kissinger, Matusita-Sakka formulations found to exhibit interesting trends with MoO₃ substitution in the glass matrix. It is noticed that the electrical conductivity (σ)–temperature (T) cycles obtained at a typical heating rate of 1 °C/min do exhibit significant thermal events. The conductivity after first heating cycle at room temperature is found to be increasing with MoO₃ content and maximum for x = 0.3 (~10⁻³ Ω⁻¹ cm⁻¹ at 30 °C) which is comparable to that of the host 50AgI–33.33Ag₂O–16.67V₂O₅ glassy system. The parameters obtained from σ–T plots and DSC scans do complement each other in a particular range of composition.     

The role of N dopant in inducing ferromagnetism in (ZnO)n clusters (n = 1-16)

The effect of nitrogen doping on the magnetic properties of (ZnO)(n) clusters (n = 1-16) has been investigated using spin polarized density functional theory. The total energy calculations suggest that N is more stable at the O site than at the Zn site in (ZnO)(n) clusters and induces a magnetic moment of 1 μ(B)/N atom. The N-Zn-N configuration is more stable than isolated N for 3D structures. The N dopants do not show any tendency for clustering. The binding energy is found to decrease with the increase in the number of N dopants. The magnetic moment increases gradually with the increase in the number of atoms with 1 μ(B)/N atom for n ≤ 4 and less than 1 μ(B)/N for n > 4. The local magnetic moment is mainly localized at the N site with a small magnetic moment induced at the O site. The presence of a Zn vacancy (V(Zn)) induced an additional magnetic moment of 2 μ(B) on the nearest O atoms. The N dopant prefers to form a N-V(Zn) pair. The combination of N and V(Zn) in 3D structures leads to a total magnetic moment of 3 μB. The Mulliken charge transfers from Zn to N and O in all N doped (ZnO)(n) clusters. The calculated results are consistent with existing experimental and theoretical results.     

A multicriteria optimization model of portfolio rebalancing with transaction costs in fuzzy environment

In this paper we propose multicriteria credibilistic framework for portfolio rebalancing (adjusting) problem with fuzzy parameters considering return, risk and liquidity as key financial criteria. The portfolio risk is characterized by a risk curve that represents each likely loss of the portfolio return and the corresponding chance of its occurrence rather than a single pre-set level of the loss. Furthermore, we consider an investment market scenario where, at the end of a typical time period, the investor would like to modify his existing portfolio by buying and/or selling assets in response to changing market conditions. We assume that the investor pays transaction costs based on incremental discount schemes associated with the buying and/or selling of assets, which are adjusted in the net return of the portfolio. A hybrid intelligent algorithm that integrates fuzzy simulation with a real-coded genetic algorithm is developed to solve the portfolio rebalancing (adjusting) problem. The proposed solution approach is useful particularly for the cases where fuzzy parameters of the problem are characterized by general functional forms.     

Quantitative Analysis of Flavonoids in Annona squamosa Leaf Extracts and Its Pellet Formulation by Validated High-Performance Thin-Layer Chromatographic Technique

JPC – Journal of Planar Chromatography – Modern TLC - Annona squamosa, commonly known as custard apple, possesses various medicinal properties such as antimicrobial, insecticidal,...     

Numerical solution of a viscous incompressible flow problem through an orifice

A steady flow problem of a viscous, incompressible fluid through an orifice is widely applicable to many physical phenomena and has been studied previously by many researchers. A problem of such type has been solved by applying LAD method given by Roache [1]. The resulting system of linear equations is solved by Hockney's method [2].