Information in Business and Management Systems

Journal of the Operational Research Society -     

Inelastic scattering of He atoms from a Cu(110) surface

A He beam has been used to measure inelastic scattering from a Cu(110) surface. The scattering was a result of predominantly single phonon events and both energy gain and loss processes were observed. This was in contrast to Cu(001) where only energy loss was observed. For Cu(110), aligned in the [001] azimuth, partial dispersion relations have been measured which meant that phonons with ΔQ values up to the zone boundary value have not been detected under the present experimental conditions. The elastic incoherent component varied with azimuthal angle for Cu(110).     

Shear-induced configurations of confined colloidal suspensions

We show that geometric confinement dramatically affects the shear-induced configurations of dense monodisperse colloidal suspensions; a new structure emerges, where layers of particles buckle to stack in a more efficient packing. The volume fraction in the shear zone is controlled by a balance between the viscous stresses and the osmotic pressure of a contacting reservoir of unsheared particles. We present a model that accounts for our observations and helps elucidate the complex interplay between particle packing and shear stress for confined suspensions.     

Potential for the use of ultrasound in the extraction of antioxidants from Rosmarinus officinalis for the food and pharmaceutical industry

Ultrasound was used to increase the extraction efficiency of carnosic acid from the herb Rosmarinus officinalis using butanone, ethyl acetate and ethanol as solvents. Both dried and fresh leaves of the herb were extracted and, when performed at the same temperature, sonication improved the yields of carnosic acid for all three solvents and shortened the extraction times. Sonication also reduced the solvent effect so that ethanol, which is a poor solvent under conventional conditions, reached a similar level of extraction efficiency to the other two when sonicated. The extraction of dried herb with ethanol proved to be more efficient than that of fresh material, probably due to the water present in the latter.     

Binding constant determination of drugs toward subdomain IIIA of human serum albumin by near-infrared dye-displacement capillary electrophoresis

Drug binding to serum albumin influences several important pharmacological properties such as toxicity, solubility, activity, distribution, and excretion. It is therefore of interest to have methodologies that allow for the determination of drug-albumin affinity constants while simultaneously providing information on the location of the drug binding site. In the present work we describe a method for the determination of binding constants of drugs known to bind to subdomain IIIA of serum albumin. Drugs used in the study were ketoprofen, ibuprofen, quinidine, naproxen, imipramine, and clofibrate. Binding constants of the drugs were determined by near-infrared dye-displacement capillary electrophoresis. The dye-displacement technique uses a competitive-type interaction between the drug of interest and a dye probe to arrive at a binding constant. A heptamethine cyanine dye was used as a probe for drug binding at subdomain IIIA of serum albumin. The utility of the dye as a noncovalent label for serum albumin was investigated. Additionally, the ability of the method to illustrate enantioselective binding is shown. The dye displacement technique has advantages over current electrophoresis-based techniques in that it is faster and uses less reagent.     

Hindered axial-equatorial carbonyl exchange in an Fe(CO)(4)(PR(3)) complex of a rigid bicyclic phosphine

Variable-temperature (13)C NMR spectra for a series of Fe(CO)(4)(PR(3)) complexes ligated by phosphatri(3-methylindolyl)methane (1), phosphatri(pyrrolyl)methane (2), P(N-3-methylindolyl)(3) (3), and P(N-pyrrolyl)(3) (4) are reported. Ligand 2 was prepared by reaction of tri(pyrrolyl)methane with PCl(3) in THF and Et(3)N. Compound 2 is stable to methanolysis, hydrolysis, and aerial oxidation at room temperature. Reactions of 2 with selenium powder and Rh(acac)(CO)(2) yield phosphatri(pyrrolyl)methane selenide (5) and Rh(acac)(CO)(2) (6), respectively. The carbonyl stretching frequency in the IR spectrum of 6 and the magnitude of (1)J(Se)(-)(P) in the (31)P NMR spectrum of 5 indicate that 2 is a strong pi-acid and a weak sigma-base, commensurate with its lack of reactivity with CH(3)I. The trend in the decreasing basicity of 2 and related phosphines and phosphites was determined to be P(NMe(2))(3) > 3 > 4 > 1 > P(OPh)(3) > 2. IR data for a series of Rh(acac)(CO)(PR(3)) complexes indicate the trend in decreasing pi-acceptor ability to be 2 approximately 1 > 4 > P(OPh)(3) > 3 > PPh(3). Phosphines 1-4 were reacted with Fe(2)(CO)(9) to yield Fe(CO)(4)(1) (7), Fe(CO)(4)(2) (8), Fe(CO)(4)(3) (9), and Fe(CO)(4)(4) (10), respectively. IR data for 7-10 support the trend in pi-acidity listed above. Variable-temperature (13)C NMR spectra for compounds 8-10 show a single doublet resonance for the carbonyls in the temperature range from -80 to 20 degrees C indicative of rapid intramolecular rearrangement of carbonyls between axial and equatorial sites. However, the (13)C NMR spectrum for 7 shows slowed axial-equatorial carbonyl exchange at 20 degrees C. The limiting slow-exchange spectrum is observed at -20 degrees C. Hindered carbonyl exchange in 7 is attributed to the rigid 3-fold symmetry and steric bulk of 1. In addition to characterization of the new compounds by NMR ((1)H, (13)C, and (31)P) spectroscopy, IR spectroscopy, mass spectrometry, and elemental analysis, compounds 2, 7, 9, and 10 were further characterized by X-ray crystallography.     

Theoretical total ionization cross-sections of CH x,CF x,SiH x,SiF x ( ) and CCl 4 targets by electron impact

Total ionization cross-sections of electron impact are calculated for the molecular targets CH_x, CF_x, SiH_x, SiF_x (x = 1-4) and CCl₄ at incident energies 20-3 000 eV. The calculation is based on Complex Scattering Potential approach, as developed by us recently. This leads to total inelastic cross-sections, from which the total ionization cross-sections are extracted by reasonable physical arguments. Extensive comparisons are made here with the previous theoretical and experimental data. The present results are satisfactory except for the CF_x and SiF_x (x = 1-3) radicals, for which the experimental data are lower than most of the theories by more than 50%. Received 23 May 2002 / Received in final form 24 October 2002 Published online 21 January 2003 RID="a" ID="a"e-mail: knjoshipura@yahoo.com     

Serre's generalization of Nagao's theorem: An elementary approach

Let be a smooth projective curve over a field . For each closed point of let be the coordinate ring of the affine curve obtained by removing from . Serre has proved that is isomorphic to the fundamental group, , of a graph of groups , where is a tree with at most one non-terminal vertex. Moreover the subgroups of attached to the terminal vertices of are in one-one correspondence with the elements of , the ideal class group of . This extends an earlier result of Nagao for the simplest case .

Serre's proof is based on applying the theory of groups acting on trees to the quotient graph , where is the associated Bruhat-Tits building. To determine he makes extensive use of the theory of vector bundles (of rank 2) over . In this paper we determine using a more elementary approach which involves substantially less algebraic geometry.

The subgroups attached to the edges of are determined (in part) by a set of positive integers , say. In this paper we prove that is bounded, even when Cl is infinite. This leads, for example, to new free product decomposition results for certain principal congruence subgroups of , involving unipotent and elementary matrices.