High Resolution NMR Spectroscopic Study of Complexation of Hydroxyzine Hydrochloride with β‐Cyclodextrin in Aqueous Solution

Hydroxyzine hydrochloride forms two 1:1 inclusion complexes with β‐cyclodextrin in aqueous solution as confirmed by the ¹H NMR titration and ROESY studies. One complex is formed by the deep penetration of the chlorophenyl ring from the wider rim side, while the mode of entry of the phenyl ring into the β‐CD cavity is not clear. The stoichiometry and overall association constant of the complexes have been determined by the treatment of ¹H NMR shift data. Some chiral discrimination by the host between the two enantiomers of hydroxyzine hydrochloride is also indicated.     

Non-paraxial Split-step Finite-difference Method for Beam Propagation

A method based on symmetrized splitting of the propagation operator in the finite difference scheme for non-paraxial beam propagation is presented. The formulation allows the solution of the second order scalar wave equation without having to make the slowly varying envelope and one-way propagation approximations. The method is highly accurate and numerically efficient. Unlike most Padé approximant based methods, it is non-iterative in nature and requires less computation. The method can be used for bi-directional propagation as well.     

Study of108–112Ru in non-axial microscopic framework

The yrast spectra, intrinsic quadrupole moments and root mean square radii for each angular momentum state, calculated for^108–112Ru isotopes by carrying out Cranked-Hartree-Fock-Bogoliubov (CHFB) calculations. These calculations have been performed by employing pairing-plus-quadrupole-quadrupole effective interaction operating in a reasonably large valence space outside⁷⁶Sr core. The experimentally available spectra upto 10⁺ is reasonably well reproduced. Our results indicate that there is a possibility for observing backbending phenomenon in^108,110,112Ru at spins 12⁺, 20⁺ and 14⁺, respectively, which remains yet to be confirmed experimentally.     

Single-molecule enzyme kinetics in the presence of inhibitors

Recent studies in single-molecule enzyme kinetics reveal that the turnover statistics of a single enzyme is governed by the waiting time distribution that decays as mono-exponential at low substrate concentration and multi-exponential at high substrate concentration. The multi-exponentiality arises due to protein conformational fluctuations, which act on the time scale longer than or comparable to the catalytic reaction step, thereby inducing temporal fluctuations in the catalytic rate resulting in dynamic disorder. In this work, we study the turnover statistics of a single enzyme in the presence of inhibitors to show that the multi-exponentiality in the waiting time distribution can arise even when protein conformational fluctuations do not influence the catalytic rate. From the Michaelis-Menten mechanism of inhibited enzymes, we derive exact expressions for the waiting time distribution for competitive, uncompetitive, and mixed inhibitions to quantitatively show that the presence of inhibitors can induce dynamic disorder in all three modes of inhibitions resulting in temporal fluctuations in the reaction rate. In the presence of inhibitors, dynamic disorder arises due to transitions between active and inhibited states of enzymes, which occur on time scale longer than or comparable to the catalytic step. In this limit, the randomness parameter (dimensionless variance) is greater than unity indicating the presence of dynamic disorder in all three modes of inhibitions. In the opposite limit, when the time scale of the catalytic step is longer than the time scale of transitions between active and inhibited enzymatic states, the randomness parameter is unity, implying no dynamic disorder in the reaction pathway.     

Efficient synthesis of protected l-phosphonophenylalanine (Ppa) derivatives suitable for solid phase peptide synthesis

l-Phosphonophenylalanine (Ppa) derivatives were synthesized from l-4-iodophenylalanine and suitably protected phosphites using Michaelis-Arbuzov reaction conditions in the presence of Pd(0) and triethylamine at 70 ± 2 °C.     

Luminescence from copper nanoparticles

The presence of copper nanoparticles in alumina and silica modifies their luminescence, and the changes in spectra are influenced by variations in the nanoparticle size distributions. Luminescence signals are sensitive to the total defect population. Thus the luminescence not only reflects changes caused by thermal annealing, which can modify both intrinsic defects and the copper nanoparticles, but also responds to the method of preparation of thin film layers. Copper nanoparticle influence on luminescence is reported both for ion-implanted bulk silica and for copper in pulsed laser deposition within alumina. Luminescence thus potentially offers a non-destructive monitor of the layer quality, reproducibility and growth conditions, as well as the state and size of the copper nanoparticles. Received: 29 June 2001 / Published online: 10 October 2001     

Influence of double stratification on MHD free convection with Soret and Dufour effects in a Darcian porous media

The heat and mass transfer characteristics of natural convection about a vertical surface embedded in a doubly stratified saturated porous medium subjected to a magnetic field is studied, taking into account the Dufour and Soret effects. It is found that the similarity solution exists for the case of uniform surface heat and mass flux conditions when the thermal and solutal stratification of the medium are assumed to have power function form x^1/3. The resulting set of ordinary coupled nonlinear differential equations is solved numerically using shooting technique. Nusselt and Sherwood numbers are tabulated for various values of the involved parameters. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)