Interactions between polymer-grafted particles and bare particles for biocompatibility applications

We use self-consistent field theory (SCFT) to study the interactions between a polymer-grafted spherical particle and a bare spherical particle and explore how these interaction energies depend on the radii of the two particles and the grafting density. We find that the magnitude of the interaction energies increases with the radii of both the grafted and bare particles and with increasing grafting density. We also find a universal scaling law for the interaction potential which exhibits a power-law dependence on both particle sizes, a linear dependence on grafting density, and a logarithmic dependence on interparticle distance with a range of interaction that scales with brush height. We compare our numerical results to those obtained using the Derjaguin approximation. © 2009 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 47: 2566–2577, 2009     

An accurate finite element scheme with moving meshes for computing 3D‐axisymmetric interface flows

An accurate finite element scheme for computing 3D‐axisymmetric incompressible free surface and interface flows is proposed. It is based on the arbitrary Lagrangian Eulerian (ALE) approach using free surface/interface‐resolved moving meshes. Key features like the surface force, consisting of surface tension and the local curvature, and jumps in the density and viscosity over different fluid phases are precisely incorporated in the finite element formulation. The local curvature is approximated by using the Laplace–Beltrami operator technique combined with a boundary approximation by isoparametric finite elements. A new approach is used to derive the 3D‐axisymmetric form from the variational form in 3D‐Cartesian coordinates. Several test examples show the high accuracy and the robustness of the proposed scheme. Copyright © 2007 John Wiley & Sons, Ltd.     

Extended metal-organic solids based on benzenepolycarboxylic and aminobenzoic acids

This article describes the recent results obtained in our laboratory on the interaction of polyfunctional ligands with divalent alkaline earth metal ions and a few divalent transition metal ions. Treatment of MC1₂·nH₂O (M = Mg, Ca, Sr or Ba) with 2-amino benzoic acid leads to the formation of complexes [Mg(2-aba)₂] (1), [Ca(2-aba)₂(OH₂)₃]∞ (2), [Sr(2-aba)₂(OH₂)_{2 2}·H₂O)]∞ (3), [Ba(2-aba)₂(OH₂)]∞ (4), respectively. While the calcium ions in2 are hepta-coordinated, the strontium and barium ions in3 and4 reveal a coordination number of nine apart from additional metal-metal interactions. Apart from the carboxylate functionality, the amino group also binds to the metal centres in the case of strontium and barium complexes3 and4. Complexes [Mg(H₂O)₆(4-aba)₂·2H₂O] (5), [Ca(4-aba)₂(H₂O)₂] (6) prepared from 4-aminobenzoic acid reveal more open or layered structures. Interaction of 2-mercaptobenzoic acid with MCl₂·6H₂O (M = Mg, Ca), however, leads to the oxidation of the thiol group resulting in the disulphide 2,2′ -dithiobis(benzoic acid). New metal-organic framework based hydrogen-bonded porous solids [M(btec) (OH₂)_{4 n}·n(C₄H₁₂N₂)·4nH₂O] (btec = 1,2,4,5-benzene tetracarboxylate) (M = Co9; Ni10; Zn11) have been synthesized from 1,2,4,5-benzene tetracarboxylic acid in the presence of piperazine. These compounds are made up of extensively hydrogen-bonded alternating layers of anionic M-btec co-ordination polymer and piperazinium cations. Compounds2- 11 described herein form polymeric networks in the solid-state with the aid of different coordinating capabilities of the carboxylate anions hydrogen bonding interactions.     

233Pa(2nth, f ) cross-section determination using a fission track technique

The νp process is a primary nucleosynthesis process which occurs in core-collapse supernovae. An essential role in this process is being played by electron antineutrinos. They generate, by absorption on protons, a supply of neutrons which, by (n, p) reactions, allow to overcome waiting point nuclei with rather long beta-decay and proton-capture lifetimes. The synthesis of heavy elements by the νp process depends sensitively on the $\bar \nu _e$ luminosity and spectrum. As has been shown recently, the latter are affected by collective neutrino flavor oscillations which can swap the $\bar \nu _e$ and $\bar \nu _{\mu ,\tau }$ spectra above a certain split energy. Assuming such a swap scenario, we have studied the impact of collective neutrino flavor oscillations on the νp-process nucleosynthesis. Our results show that the production of light p-nuclei up to mass number A = 108 is very sensitive to collective neutrino oscillations.     

Nafion-multi-walled Carbon Nanotubes Supported Tris(bipyridyl)iron(II) for Nicotine Detection

This work reports an electrochemical sensing framework for nicotine determination based on glassy carbon electrode (GC) immobilized with Fe(bpy)₃²⁺ (where bpy is 2,2’-bipyridyl) supported by Nafion and multi-walled carbon nanotubes (Nf-MWCNTs). Fe(bpy)₃²⁺ immobilized Nf-MWCNTs modified GC (GC/Nf-MWCNTs/Fe(bpy)₃²⁺) manifests stable redox peaks, characteristics of Fe(bpy)₃²⁺. The GC/Nf-MWCNTs/Fe(bpy)₃²⁺ exhibits effective electrochemical oxidation of nicotine, diminishing the overpotential relative to GC/Nf-MWCNTs. The limit of detection is 0.1 μM (experimentally observed) with two different linear calibration ranges between 0.1 to 600 μM and 600 to 3000 μM. Electrocatalytic responses observed at GC/Nf-MWCNTs/Fe(bpy)₃²⁺ indicate superior performance for nicotine determination with acceptable selectivity, stability, and reproducibility. Additionally, the nicotine present in real samples such as beedi and tobacco are also analyzed with satisfactory recovery percentages.     

2J,(3)J-HMBC: A new long-range heteronuclear shift correlation technique capable of differentiating (2)J(CH) from (3)J(CH) correlations to protonated carbons

The development of a series of new, accordion-optimized long-range heteronuclear shift correlation techniques has been reported. A further derivative of the constant time variable delay introduced in the IMPEACH-MBC experiment, a STAR (Selectively Tailored Accordion F(1) Refocusing) operator is described in the present report. Incorporation of the STAR operator with the capability of user-selected homonuclear modulation scaling as in the CIGAR-HMBC experiment, into a long-range heteronuclear shift correlation pulse sequence, (2)J,(3)J-HMBC, affords for the first time in a proton-detected experiment the means of unequivocally differentiating two-bond ((2)J(CH)) from three-bond ((3)J(CH)) long-range correlations to protonated carbons. Copyright 2000 Academic Press.     

Studies on the growth,structural, optical,SHG and thermal properties of γ-glycine single crystal: An organic nonlinear optical crystal

Single crystals of the organic nonlinear optical material γ-glycine have been grown in the presence of Zinc sulphate by slow evaporation technique at ambient temperature for the first time. Bulk growth of γ-glycine single crystals was grown by Top-seeded solution growth method. The γ-phase of glycine was confirmed by powder X-ray diffraction and the FTIR analysis. Elemental analysis CHN was performed to confirm the non-inclusion of zinc sulphate species into the solution. Inductively coupled plasma optical emission spectrometry study (ICP-OES) was employed to quantify the concentration of Zinc element in the grown γ-glycine single crystals. The optical transmission was ascertained from UV–Vis–NIR spectrum. The optical band gap was estimated for γ-glycine single crystal using UV–Vis–NIR study. Differential scanning calorimetry analysis was employed to explore information about thermal stability, phase transition and melting point of the grown crystal. The second harmonic generation relative efficiency was measured by Kurtz and Perry powder technique.     

Turbulent flow inside the cylinder of a Diesel engine — an experimental investigation using hot wire anemometer

This paper describes the measurement of mean velocity and turbulence intensity using hot-wire anemometry inside the cylinder of a Diesel engine under motoring (non-firing) conditions. The effects of engine speed and compression ratio on mean velocity and turbulence intensity have been studied. In addition, turbulence scales have also been evaluated using auto-correlation function and power spectrum which are obtained from fluctuating velocity. The measurements were carried out at 4 different locations inside the piston cavity. Mean velocity and turbulence intensity are found to increase with speed. Increase in compression ratio has significantly increased the mean velocity at all crank angles. The main feature of this investigation is that the experiments have been conducted at higher compression ratios and a relatively high speed using a single high temperature straight wire probe.List of symbols A constant - B constant - D hot-wire diameter - F(f) normalized one-dimensional energy spectral density function - f frequency - i current through the hot-wire - k thermal conductivity of air at any temperature - k ₀ thermal conductivity of air at reference temperature - L hot-wire length - L _t macro or integral time scale of turbulence - L _x macro or integral length scale of turbulence - N number of cycles - Nu Nusselt number - n constant - R hot-wire resistance - Re Reynolds number - R () auto-correlation coefficient - T period of measurement and temperature - T ₀ reference temperature - T _g cylinder gas temperature - T _w hot-wire temperature - U instantaneous velocity - U mean velocity - u _I fluctuating velocity - u turbulence intensity - _t absolute viscosity of air at any temperature - ₀ absolute viscosity of air at reference temperature - engine crank angle - correlation time - _t micro-time scale of turbulence - _x micro-length scale of turbulence     

Simulation of oscillatory flow in an aortic bifurcation using FVM and FEM: A comparative study of implementation strategies

Cardiovascular diseases are one of the major causes of long‐term morbidity and mortality in human beings. The nearly epidemic increase in prevalence of such diseases poses a serious threat to public health and calls for efficient methods of diagnosis and treatment. Non‐invasive diagnostic procedures such as MRI are often used in this context; however, these are limited in terms of spatial and temporal resolution and do not provide information on time‐dependent pressures and wall shear stresses—key quantities considered to be partially responsible for the formation and development of related pathologies. The present study is concerned with the numerical simulation of oscillatory flow through the abdominal aortic bifurcation. Computational fluid dynamics simulation of oscillatory flow in a branched geometry at high Reynolds numbers poses considerable challenges. The present study reports a detailed comparison of simulations performed with a finite volume and a finite element method, two approaches with significant differences in their discretization strategy, treatment of boundary conditions and other numerical aspects. Both solvers were parallelized, using loop parallelization of the BiCGStab linear solver for the finite volume and domain decomposition based on the Schur complement method for the finite element technique. The experience gained with these two approaches for the solution of flow in a bifurcation forms the focus of this study. Although similar results were obtained for both methods, the computation time required for convergence was found to be significantly smaller for the finite element approach. Copyright © 2010 John Wiley & Sons, Ltd.     

Flow past an impulsively started vertical plate with variable surface temperature and mass flux

Finite-difference solution of the transient natural convection flow of an incompressible viscous fluid past an impulsively started semi-infinite vertical plate with variable surface temperature and mass flux is presented here. The Velocity profiles are compared with exact solution and are found to be in good agreement. The steady-state velocity, temperature and concentration profiles are shown graphically. It is observed that there is a rise in the velocity due to the presence of a mass diffusion. The local as well as average skin-friction, Nusselt number and Sherwood number are shown graphically. Received on 27 May 1998