Kinetics of zinc(II) cloride extraction with tributyl phosphate

The equilibrium and rate of solvent extraction of zinc chloride complexes from HCl solutions into benzene solutions of tributyl phosphate (TBP) have been studied. The extracted species are discussed in the light of the results. The extraction was found to be first order with respect to both Zn(II) and TBP, and zero order for HCl. The rate-controlling steps are discussed and the rate constants for these reactions are calculated.     

Frontiers in 2D NMR of paramagnetic metalloproteins

The possibilities and the limitations of 2D NMR for the structural characterization of paramagnetic metalloproteins are reviewed. We survey the general strategies for 2D¹H NMR investigations of hyperfine shifted signals. Careful adaptation of classical 2D NMR experiments to fast relaxing systems results in the detection of previously not observed scalar and dipolar connectivities, thus leading to the specific assignment of selected resonances. The approach is of general applicability for paramagnetic metalloproteins. We report here on the application of the application of the method to an iron sulfur protein and a heme protein. In both cases specific assignment of several hyperfine shifted signals, corresponding to active site protons, were obtained; this allowed significant insight into the structure-function relationships of these metalloproteins.     

Wave scattering from dielectric-coated cylinder

The high frequency scattering of TE wave from a dielectric-coated conducting cylinder is obtained via the geometrical theory of diffraction. The high frequency ray solution is computed numerically by the methods of residue series, Taylor series and stationary phase in shadow, transition and illuminated region, respectively. The numerical results of the high frequency ray solution show good agreement with the eigenfunction results.     

Some inverse problems of internal-diffusion kinetics of adsorption

Methods are proposed for determining the diffusion coefficients of adsorbed molecules and the adsorption isotherms from given concentrations of the solutes in the external solution. The methods are based on a comparison of experimental data with the numerical results produced by a mathematical model of internal-diffusion kinetics of adsorption from a constant bounded volume.Translated from Vychislitel'naya i Prikladnaya Matematika, No. 66, pp. 41–46, 1988.     

Sprouting side chain conformations in X-PLOR simulations of peptides

A scheme for sprouting peptide side chains using X-PLOR is introduced using an example from the collagen system to show how reasonable starting structures for minimization studies may be created. © 1993 John Wiley & Sons, Inc.     

Optimal convex hull algorithms on enhanced meshes

In this paper we propose time-optimal convex hull algorithms for two classes of enhanced meshes. Our first algorithm computes the convex hull of an arbitrary set ofn points in the plane inO (logn) time on a mesh with multiple broadcasting of sizen×n. The second algorithm shows that the same problem can be solved inO (1) time on a reconfigurable mesh of sizen×n. Both algorithms achieve time lower bounds for their respective model of computation.This work was supported by NASA under grant NCCI-99.Additional support by the National Science Foundation under grant CCR-8909996 is gratefully acknowledged.     

The star chromatic number of a graph

We study a generalization of the notion of the chromatic number of a graph in which the colors assigned to adjacent vertices are required to be, in a certain sense, far apart. © 1993 John Wiley & Sons, Inc.     

H2S·HOH or H2O·HSH, which is more stable in the water-hydrogen sulfide complex?

High-level ab initio calculations are carried out to study the relative stability of the two hydrogen bonded structures of water-hydrogen sulfide complex, one with water as the proton donor (A) and the other with hydrogen sulfide as the proton donor (B). The results show that structure A is considerably more stable than B at the correlated level, which is in contrast with previous results obtained from Hartree-Fock calculations.     

Synthesis, thermal treatment and characterization of cobalt ferrite-based nanocomposites

We have used time-differential perturbed angular correlation (PAC) spectroscopy with ¹⁸¹Ta-probes to study the electric field gradient at Zr-sites in synthetic zircon and hafnon between room temperature and 1,200°C. PAC spectra are similar to those obtained from naturally occurring zircons. In particular, a change in slope of the quadrupole coupling vs. temperature is observed in the synthetic zircon at the same temperature as seen in natural zircons from the Mud Tank carbonatite (Australia). The synthetic hafnon data also shows this feature but at somewhat higher temperature. Low-temperature PAC spectra of both synthetic zircon and hafnon have a clearly reduced anisotropy. We believe that the cause for this is a electronic defect, possibly created during the β-decay of the probe parent nucleus.     

Calorimeter energy calibration using the energy conservation law

A new calorimeter energy calibration method was developed for the proposed ILC detectors. The method uses the center-of-mass energy of the accelerator as the reference. It has been shown that using the energy conservation law it is possible to make ECAL and HCAL cross calibration to reach a good energy resolution for the simple calorimeter energy sum.