Diode laser spectroscopy of the HO2ν2 band

The vibration-rotation spectrum of the HO₂ν₂ bending fundamental band was observed by a semiconductor diode laser spectrometer with a Zeeman modulation technique. The wavelength of the laser was measured by a high-precision λ meter. Of 153 lines which were observed by Zeeman modulation, 137 lines were assigned. A least-squares analysis was carried out on 131 observed lines with 1 ≦ N ≦ 13 and 0 ≦ K_a ≦ 4, to determine the rotational constants, the centrifugal distortion constants, and the spin-rotation interaction constants in the ν₂ state. The band origin, which was also derived, is 1391.7540 (2) cm^?1 [the value in the parenthesis denotes the standard error]. The force field of the HO₂ molecule is briefly discussed using molecular constants obtained in previous works and in the present work.     

Spectroscopy of Ar-SH and Ar-SD. II. Determination of the three-dimensional intermolecular potential-energy surface

All the pure rotational transitions reported in the previous studies [J. Chem. Phys. 113, 10121 (2000); J. Mol. Spectrosc. 222, 22 (2003)] and newly observed rotation-vibration transitions, P = 1/2 <-- 3/2, for Ar-SH and Ar-SD [J. Chem. Phys. (2005), the preceding paper] have been simultaneously analyzed to determine a new intermolecular potential-energy surface of Ar-SH in the ground state. A Schrodinger equation considering the three-dimensional freedom of motion for an atom-diatom complex in the Jacobi coordinate, R, theta, and r, was numerically solved to obtain energies of the rovibrational levels using the discrete variable representation method. A three-dimensional potential-energy surface is determined by a least-squares fitting with initial values of the parameters for the potential obtained by ab initio calculations at the RCCSD(T)/aug-cc-pVTZ level of theory. The potential well reproduces all the observed data in the microwave and millimeter wave regions with parity doublings and hyperfine splittings. Several low-lying rovibrational energies are calculated using the new potential-energy surface. The dependence of the interaction energy between Ar and SH(2pi(i)) on the bond length of the SH monomer is discussed.     

Novel Phenomena of Crystallization and Emulsification of Hydrophobic Solute in Aqueous Solution

Emulsification of lauric acid in an aqueous ethanol solution including lauric acid solute has been observed during cooling before crystallization of lauric acid occurs. The nature of two different solubility curves was explained for the system of lauric acid and aqueous ethanol solution. The mutual solubility of the two liquid phases controls emulsification; the solid solubility of lauric acid controls crystallization. The mutual solubility curve appears at relatively high temperature, and the solid solubility curve at relatively low temperature. Crystallization essentially generates a solid metastable zone under the solid solubility curve. A supersaturated solution can be obtained in the metastable zone. However, no nucleation occurs in the metastable zone. The metastable zone, therefore, still caused emulsification at low temperature before crystallization of lauric acid occurred. The hypothetical mutual solubility curve for the aqueous solution including hydrophobic solutes appeared invariably even at low temperature in the metastable zone under the solid solubility. Copyright 2001 Academic Press.     

Development of a novel nucleoside analogue with S-type sugar conformation: 2′-deoxy-trans-3′,4′-bridged nucleic acids

Two novel trans-3′,4′-bridged nucleic acid (trans-3′,4′-BNA) monomers, one with a 3,5,8-trioxabicyclo[5.3.0]decane structure and the other with a 4,7-dioxabicyclo[4.3.0]nonane structure, were successfully synthesized from thymidine. The locked trans-fused ring structures of the nucleoside analogues were confirmed by X-ray crystallography, which also indicated that their furanose rings had a typical S-type conformation involving C_2′-endo or C_3′-exo sugar puckering, respectively, and the same ring conformation as that observed in the B-type helical structure of the DNA duplex.     

Colloidal stability of aqueous polymeric dispersions: effect of pH and salt concentration

Aqueous film coatings often contain some electrolytes, organic acids, and pigments to give functions of sustained release, time-controlled release, or protection against light. Additions of some electrolytes or organic acids into latex dispersion for an aqueous film coating affect its colloidal stability. We characterized the aqueous polymeric latexes used in the pharmaceutical industry by measuring zeta potential and particle size, and evaluated this colloidal stability using DLVO theory. Three polymethacrylate-based aqueous polymeric latexes, Eudragit L30D-55, Eudragit RS30D and Eudragit NE30D, having anionic, cationic, and neutral polymer, respectively, were used in this study. The Hamaker constant of the polymethacrylate-based latex was determined to be 6.35 x 10(-21) J, and the total potential energy of the latex dispersion was calculated. The total potential energy of interaction between pairs of latex particles changes by altering the salt concentration and pH. The experimental results of stability in the anionic and the cationic latex dispersions can be explained by the total interaction energies. However, the stabilization of the neutral latex did not match the calculated result. The steric interaction produced by the surfactant likely resulted in the stable dispersion of this latex.     

A note on node packing polytopes on hypergraphs

A facial structure of the node packing polytope, i.e., of the convex hull of integer solutions of the node packing problem, on hypergraphs is studied. First, the results extracted by Chvàtal and by Balas and Zemel on canonical facets of the node packing polytopes on graphs are generalized to derive some specific hypergraphs having canonical facets. Second, it is shown that the facial structure of the node packing polytope on a hypergraph, named a fat graph, has a very close relationship to the facial structures of the node packing polytope and also of the convex hull of integer solutions of an integer linear program, which are defined on a specific graph corresponding to the fat graph.     

Quantitative determination of propranolol in plasma and plasma water from normal subjects and patients with angina pectoris by high-performance liquid chromatography

A precise and sensitive high-performance liquid chromatographic method using a column packed with porous polystyrene gel is described for the determination of propranolol in plasma and plasma water from normal subjects and patients with angina pectoris. Propranolol in the samples was extracted with an n-heptane-isoamylalcohol (98.5:1.5) mixture after addition of penbutolol used as an internal standard. The extracts were chromatographed and detected with a spectrofluorophotometer. The quantitative limit of propranolol was 1 ng using 1 ml of plasma or 0.5 ml of plasma water. The present method should be useful for monitoring propranolol concentrations in plasma and plasma water during drug therapy and for pharmacokinetic study of propranolol.     

Simultaneous multi-element analysis of total As, Se and Sb on titanium dioxide by slurry sampling-graphite furnace atomic absorption spectrometry

A simple and rapid method for simultaneous determination of As, Se and Sb was studied by graphite furnace atomic absorption spectrometry (GFAAS). Titanium dioxide adsorbing As, Se and Sb was separated from sample solution (100 ml) with a membrane filtration (0.45 μm), and then prepared to be slurry (5.0 ml) by adding ultrapure water. The behavior and influence of titanium dioxide on determination of As, Se and Sb were investigated in this experiment. The optimal conditions of a furnace for these elements were chosen as follows: pyrolysis temperature was 150 °C, and atomization temperature was 2300 °C. The optimal conditions of adsorption for As, Se and Sb on titanium dioxide were listed: pH 2.0 in sample solution; 10 min of stirring time; and 20.0 mg titanium dioxide. The difference of the chemical valence of each element had no effect on the recovery of each element at the same optimal conditions. Limits of detection (3σ) for As, Se and Sb were found to be 0.21 μg l⁻¹, 0.15 μg l⁻¹ and 0.15 μg l⁻¹, respectively, with enrichment rate of 20, when 20 μl of slurry was injected into a Zr-coating tube. The proposed method was applied to tap water and river water.     

Large scale production of 64Cu and 67Cu via the 64Zn(n,p)64Cu and 68Zn(n,np/d)67Cu reactions using accelerator neutrons

Journal of Radioanalytical and Nuclear Chemistry - Both 64Cu and 67Cu are promising radionuclides in nuclear medicine. Production yields of these radionuclides were quantified by irradiating...