One‐Pot Synthesis of Hydrophobically Modified Iminosugar C‐Alkynylglycosides: Facile Synthesis of Polyhydroxy Tetrahydroindolizines

A mild and efficient one‐pot method has been developed for the stereoselective synthesis of structurally diverse novel iminosugar C‐alkynylglycosides. The generality of this methodology has been demonstrated with a wide variety of amines and copper acetylides. This one‐pot method has been exploited in the synthesis of new class of DNA cross‐linking agents, polyhydroxy 1‐vinyl‐tetrahydroindolizine derivatives.     

Effect of Temperature and Discharge Rate on Electrochemical Performance of Fiber Nickel–Cadmium Cell

Russian Journal of Electrochemistry - The effect of temperature and discharge rate on the discharge capacity of nickel–cadmium (Ni?Cd) cell is investigated quantitatively. Ni–Cd...     

Synthesis of Active Metabolites of Carvedilol,an Antihypertensive Drug

A simple synthetic route for active metabolites of carvedilol is reported. The metabolites 4′-hydroxycarvedilol and 5′-hydroxycarvedilol have exhibited high activity for β-blockade. We have disclosed syntheses of 4′-hydroxycarvedilol and 5′-hydroxycarvedilol from commercially available vanillin and isovanillin, respectively.     

Elucidation of Binding Mechanism of Photodynamic Therapeutic Agent Toluidine Blue O with Chicken Egg White Lysozyme by Spectroscopic and Molecular Dynamics Studies

The nature of binding mechanism of toluidine blue O (TBO) with chicken egg white lysozyme was studied comprehensively by various spectroscopic and computational methods. Both steady state and time‐resolved fluorescence studies unambiguously point to the prevalence of static quenching mechanism in lysozyme–TBO system. Thermodynamic parameters revealed that the association of TBO with lysozyme was a spontaneous process in which hydrophobic and hydrogen bond interactions played a pivotal role in the binding process. The secondary and tertiary conformational changes of lysozyme in the presence of TBO were unraveled using absorption, Fourier transform infrared spectroscopy (FT‐IR) and circular dichroism (CD) techniques. Molecular docking studies of lysozyme–TBO system substantiated the findings of site marker experiment and revealed TBO adjacent to Trp‐63 and Trp‐108 residues of lysozyme. Molecular dynamics (MD) simulation studies of lysozyme–TBO system indicate a stable and effective complexation of TBO with lysozyme. It is hoped that the results presented here will enable further understanding of TBO toxicity.     

Comparative study on heat pipe performance using aqueous solutions of alcohols

This paper deals with the performance characterization of heat pipes using an aqueous solution of long chain alcohols like n-Butanol, n-Pentanol, n-Hexanol and n-Heptanol as working mediums. These solutions are called as self-rewetting fluids, since these fluid mixtures possess a non-linear dependence of the surface tension with temperature. A cylindrical heat pipe made up of copper with two layers of wrapped screen is used as a wick material and partially filled with the self-rewetting fluid water mixture and tested for its heat transport capability like thermal efficiency and thermal resistance at different inclinations and input power levels. A number of tests have been performed with heat pipes, filled with various aqueous solutions of alcohols with a concentration of 2?ml/l in de-ionized water (DI water) on volume basis. The results obtained for heat pipes using self rewetting fluids show improved performances, when compared to DI water heat pipes.     

The effect of the VOF–CSF static contact angle boundary condition on the dynamics of sliding and bouncing ellipsoidal bubbles

The static contact angle is the only empiricism introduced in a Volume of Fluid–Continuum Surface Force (VOF–CSF) model of bubbly flow. Although it has previously been shown to have a relatively limited effect on the accuracy of velocity and shape predictions in the case of large gas bubbles sliding under inclined walls (e.g. Cook and Behnia, 2001), it may have a more determining influence on the numerical prediction of the dynamics of smaller ellipsoidal bubbles which were shown by Tsao and Koch (1997) to bounce repeatedly when sliding under inclined walls at certain wall inclinations. The present paper reports on the influence of surface tension and the static contact angle on the dynamics of an ellipsoidal air bubble of equivalent diameter D_e = 3.4 mm. The bubble Eötvös and Morton numbers are Eo = 1.56 and Mo = 2 × 10⁻¹¹ respectively. The computational results are achieved with a Piecewise Linear Construction (PLIC) of the interface and are reviewed with reference to experimental measurements of bubble velocity and interface shape oscillations recorded using a high speed digital camera. Tests are performed at plate inclination angles θ ∈ {10°, 20°, 30°, 45°} to the horizontal and computational models consider three static contact angles θ_c ∈ {10°, 20°, 30°}. The static contact angle has been found to have a significant effect on the bubble dynamics but to varying degree depending on the plate inclination. It is shown to promote lift off and bouncing when the plate inclination angle reaches 30° in a way that does not necessarily reflect experimental observations.     

Improved results on robust stability of neutral systems with mixed time-varying delays and nonlinear perturbations

This paper considers the problem of robust stability of neutral systems with mixed time-varying delays and nonlinear perturbations. Two type uncertainties such as nonlinear time-varying parameter perturbations and norm-bounded uncertainties have been discussed. Based on the new Lyapunov–Krasovskii functional with triple integral terms, some integral inequalities and convex combination technique, a new delay-dependent stability criterion for the system is established in terms of linear matrix inequalities (LMIs). Finally, four numerical examples are given to illustrate the effectiveness and an improvement over some existing results in the literature with the proposed results.     

Structural properties and the effect of 2,6‐diaminoanthraquinone on G‐tetrad,non‐G‐tetrads,and mixed tetrads—A density functional theory study

Telomerase inhibitor causes the attrition of telomere length and consequently leading to senescence which require a lag period for cancer cells to stop proliferating. Telomeric sequences form quadruplex structures stabilized by tetrads. The structural and electronic properties related with interaction of 2,6‐diaminoanthraquinone and tetrads are the key step to elucidate the anticancer activity. The present study has been focused on the stability of the isolated tetrads and the effect of interaction of 2,6‐diaminoanthraquinone with G‐tetrad, non‐G‐tetrads, and mixed tetrads using density functional theory method in both gas and aqueous phases. The solvent interaction with the molecular systems has increased the stability of the isolated tetrads and complexes. The sharing of electron density between the interacting molecules is shown through electron density difference maps. The atoms in molecules theory and natural bond orbital analysis have been performed to study the nature of hydrogen bonds in the inhibitor interacting complexes. The linear correlation is shown between electron density [ρ(r)], and its Laplacian [(²ρ(r)] at the bond critical points. The strong binding nature of 2,6‐diaminoanthraquinone with studied tetrads reveals that this inhibitor is suitable to stabilize the above tetrads and inhibit the telomerase activity. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011