Exact solution (within a double-zeta basis set) of the schrodinger electronic equation for water

Using recently developed theoretical techniques it has been possible to achieve an exact variational solution of the Schrödinger equation within a modest basis set or one-eleltron functions. The full configuration interaction for this system included a total of 256473 ¹A₁ spin-and space-adapted configurations. Comparison with many-body perturbation theory proves to be quite interesting.     

The flame photometric determination of calcium in phosphate,carbonate, and silicate rocks

A flame photometric method of determining calcium in phosphate, carbonate, and silicate locks has been developed Aluminum and phosphate interference was overcome by the addition of a large excess of magnesium. The method is rapid and suitable for routine analysis Results obtained are within ± 2% of the calcium oxide content.     

Min-max theory for the Yang-Mills-Higgs equations

In each monopole sector there exist an infinite number of finite energy solutions to the Prasad-Sommerfield limit of the SU(2) Yang-Mills-Higgs equations on ³ whose energy is greater than any finite number.National Science Foundation Postdoctoral Fellow in Mathematics     

Studies of pyrolysis and air heating of rayon by inverse gas chromatography

Inverse gas chromatography using water probing at 110°C was carried out to characterize rayon yarns after prior heating at 200 and 250°C in both inert (nitrogen) and oxidative (dry air) atmospheres for successively longer time intervals. During the early stages of heating in either atmosphere, the affinity of the rayon for water drops rapidly. However, whereas continued heating in N₂ results in a further loss of activity, data have been obtained showing that after an initial period yarns heated in air at 250°C exhibit an increasing attraction for water even while losing more weight.     

Colorimetric determination of osmium (VI) with 1-naphthylamine-3,5,7-trisulfonic acid

An investigation has been made of the organic compound, 1-naphthylamine-3,5,7-trisulfonic acid, for use as a colorimetric reagent for the determination of trace quantities of osniiun(Vl). When this compound is added to an osmium (OsO₄^-2) solution, a violet colored organo-osmium complex is formed which has highest sensitivity at wavelength 560 mμ. The complex reaches maximum color intensity after four hours. The solution should be brought to pH 1.5 and maintained at tins pH with a buffer, after maximum color development. The colored complex conforms to Beer's law over an osmium concentration range of 0 to 6 p.p.m. Its absorbance is not affected by either excess reagent (up to a 7 : 1 ratio) or by temperature variation over the range 15° to 35° C. Many metallic ions interfere with the color reaction and hence require a separation, of osmium from these ions.The nature of the complex in solution was studied by the following three methods: (1) mole ratio, (2) continuous variations and (3) slope ratio. All three methods indicate a ratio of reagent to osmium of 2 to 1.A procedure for the colorimetric determination of osmium(VI) has been developed; it has a sensitivity of 1 part osmium in 15,000,000 parts of solution, with good precision.     

A chemical inhibitor reveals the role of Raf kinase inhibitor protein in cell migration

Raf kinase inhibitor protein (RKIP) is a modulator of cell signaling that functions as an endogenous inhibitor of multiple kinases. We demonstrate here a positive role for RKIP in the regulation of cell locomotion. We discovered that RKIP is the relevant cellular target of locostatin, a cell migration inhibitor. Locostatin abrogates RKIP's ability to bind and inhibit Raf-1 kinase, and it acts by disrupting a protein-protein interaction, an uncommon mode of action for a small molecule. Small interfering RNA-mediated silencing of RKIP expression also reduces cell migration rate. Overexpression of RKIP converts epithelial cells to a highly migratory fibroblast-like phenotype, with dramatic reduction in the sensitivity of cells to locostatin. RKIP is therefore the compound's valid target and a key regulator of cell motility.     

Intermolecular perturbation of CH-stretching diagonal local-mode anharmonicity in 3-methylpentane

CH-stretching overtone spectra of 3-methylpentane are measured for both liquid and low temperature (77 K) solid phases. A local-mode analysis is used to extract the diagonal local-mode anharmonicity constant. The results show that the local vibrational potential is more harmonic at high viscosity.     

Geometry of optimality conditions and constraint qualifications: The convex case

The cones of directions of constancy are used to derive: new as well as known optimality conditions; weakest constraint qualifications; and regularization techniques, for the convex programming problem. In addition, the badly behaved set of constraints, i.e. the set of constraints which causes problems in the Kuhn—Tucker theory, is isolated and a computational procedure for checking whether a feasible point is regular or not is presented.This research was supported by the National Research Council of Canada and le Gouvernement du Quebec and is part of the author's Ph.D. Dissertation done at McGill University, Montreal, Que., under the guidance of Professor S. Zlobec.     

Information Entropy and Uncertainty Relations

Information entropy is introduced as a measure of quantum mechanical uncertainty. An uncertainty relation based on information entropy is obtained as an alternative to the Heisenberg inequality. In two typical examples, the entropic uncertainty relation is shown to be bounded in situations where the Heisenberg inequality diverges or grows too large to be useful.