Perturbation theory for nematic liquid crystals of axially symmetric molecules: Numerical results at high pressures including second- and fourth rank orientational order parameters

Abstract

A statistical mechanical perturbation theory is applied to study the thermo-dynamic properties of nematic liquid crystals at the nematic-isotropic (N-I) phase transition under pressure, retaining second- and fourth-rank long-range orientational order parameters. We report calculations for a hard ellipsoidal system superposed with an attractive interaction and subjected to different external pressures. The repulsive interaction is represented by a repulsion between hard ellipsoids characterized by a length-to-width ratio and the interaction arising from the dispersion interaction between two asymmetric molecules represents the attractive interaction. The inclusion of the fourth-rank order parameter in the effective one-body potential ψ(Ω) does not lead to a significant overall improvement. The influence of pressure on the stability, ordering and thermodynamic functions at the N-I transition is analysed. We find that our theoretical predictions are in accordance with experimental observations.     

ASSOCIATION STRUCTURES IN A W/O MICROEMULSION FROM FLUORESCENCE MEASUREMENTS

Fluorescence probing was combined with light scattering measurements to determine association structures in W/O microemulsion. The results showed the microemulsions at low water content to contain aggregates with only one surfactant while association to inverse micelles took place first at higher water content. Adding different hydrocarbons showed a change of the association concentration with the nature of the hydrocarbon. An aromatic hydrocarbon significantly reduced the water concentration for association while aliphatic hydrocarbons showed less influence.     

Kinetics and Mechanism of the Oxidation of Some Aldoses by Cerium(IV)

Abstract

The kinetics of oxidation of some aldoses by cerium(IV) have been studied spectrophotometrically in sulphuric acid medium. The reactions are second order; first order with respect to both cerium(IV) and aldose concentration. The reaction rate decreases with increase in sulphuric acid concentration. The mechanisms for the reactions are discussed.     

Density functional and molecular docking studies towards investigating the role of single-wall carbon nanotubes as nanocarrier for loading and delivery of pyrazinamide antitubercular drug onto pncA protein

The potential biomedical application of carbon nanotubes (CNTs) pertinent to drug delivery is highly manifested considering the remarkable electronic and structural properties exhibited by CNT. To simulate the interaction of nanomaterials with biomolecular systems, we have performed density functional calculations on the interaction of pyrazinamide (PZA) drug with functionalized single-wall CNT (fSWCNT) as a function of nanotube chirality and length using two different approaches of covalent functionalization, followed by docking simulation of fSWCNT with pncA protein. The functionalization of pristine SWCNT facilitates in enhancing the reactivity of the nanotubes and formation of such type of nanotube-drug conjugate is thermodynamically feasible. Docking studies predict the plausible binding mechanism and suggests that PZA loaded fSWCNT facilitates in the target specific binding of PZA within the protein following a lock and key mechanism. Interestingly, no major structural deformation in the protein was observed after binding with CNT and the interaction between ligand and receptor is mainly hydrophobic in nature. We anticipate that these findings may provide new routes towards the drug delivery mechanism by CNTs with long term practical implications in tuberculosis chemotherapy.     

Noise removal in three-fringe photoelasticity by adaptive colour difference estimation

Three-fringe photoelasticity (TFP) can give the total fringe order from a single-colour isochromatic fringe field. In TFP, the total fringe order is obtained by comparing the colour of the unknown photoelastic fringe pattern with a calibration specimen. Comparison is conventionally done by minimising the colour difference error. This leads to misidentification of fringe order in some regions. A new colour difference formula is proposed with an additional term, which ensures continuity of fringe order data over the domain. Fringe order data obtained by conventional TFP is used as base data and the new method is termed as refined TFP. To enable applicability of the technique to arbitrary geometries, a new boundary identification technique is developed. The new method is demonstrated with some example problems.     

High-performance zig-zag and meander inductors embedded in ferrite material

This paper describes the design, modeling, simulation and fabrication of zig-zag and meander inductors embedded in low- or high-permeability soft ferrite material. These microinductors have been developed with ceramic coprocessing technology. We compare the electrical properties of zig-zag and meander inductors structures installed as surface-mount devices. The equivalent model of the new structures is presented, suitable for design, circuit simulations and for prediction of the performance of proposed inductors. The relatively high impedance values allow these microinductors to be used in high-frequency suppressors. The components were tested in the frequency range of 1 MHz–3 GHz using an Agilent 4287A RF LCR meter. The measurements confirm the validity of the analytical model.     

Mangana(iii/iv)electro-catalyzed C(sp3)–H azidation

Manganaelectro-catalyzed azidation of otherwise inert C(sp³)–H bonds was accomplished using most user-friendly sodium azide as the nitrogen-source. The operationally simple, resource-economic C–H azidation strategy was characterized by mild reaction conditions, no directing group, traceless electrons as the sole redox-reagent, Earth-abundant manganese as the catalyst, high functional-group compatibility and high chemoselectivity, setting the stage for late-stage azidation of bioactive compounds. Detailed mechanistic studies by experiment, spectrophotometry and cyclic voltammetry provided strong support for metal-catalyzed aliphatic radical formation, along with subsequent azidyl radical transfer within a manganese(iii/iv) manifold.

The merger of manganese-catalyzed C–H functionalization with electrosynthesis enabled C(sp³)–H azidation devoid of chemical oxidants or photochemical irradiation. Detailed mechanistic studies are supportive of a manganese(iii/iv) electrocatalysis.     

Point and Interval Estimation of P(X < Y): The Normal Case with Common Coefficient of Variation

The problem of estimating R = P(X < Y) originated in the context of reliability where Y represents the strength subjected to a stress X. In this paper we consider the problem of estimating R when X and Y have independent normal distributions with equal coefficient of variation. The maximum likelihood estimation of R when the coefficient of variation is known and when it is unknown is studied. The asymptotic variance of the estimators are obtained and asymptotic confidence intervals are provided. An example is presented to illustrate the procedure. Finally some simulation studies are carried out to study the coverage probability and the lengths of the confidence interval. In particular, lengths of the confidence intervals are compared with and without the assumption of common coefficient of variation. It is observed that the assumption of common coefficient of variation results in considerably tighter intervals.