The second Grüneisen constant of CsCl and CsI

The first order volume dependence of the Grüneisen constant, commonly known as the second Grüneisen constant, has been obtained in a quasi-harmonic approximation as a function of temperature for CsCl and CsI. The calculations are performed using a volume dependent modified rigid ion model of lattice dynamics. The variation of the microscopic second mode-Grüneisen parameter as a function of wave vector in various directions of high symmetry is also calculated. The theoretically calculated second Grüneisen constants are compared to the values calculated using available thermodynamic data.     

Carbon-13 NMR spectral studies on some labdane diterpenoids

Carbon-13 NMR signal assignments of the labdane diterpenoids andrographolide and 14-deoxyandrographolide, along with their acetates, and isodeoxyandrographolide have been made. This study indicates that the C-6 and C-11 resonance assignments of isovirescenol-B, made earlier, should be interchanged.     

Melting at alkyl side chain comb polymer interfaces

Infrared visible sum frequency generation (SFG) spectroscopy has been used to study structure and melting transition temperatures of alkyl-side chain-acrylate comb polymers at air and solid interfaces. At the air interface, the SFG spectra show methyl bands and two transitions are observed: the first, near the bulk melting temperature, T(m), and the second 10-20 degrees C higher than T(m). The shorter the alkyl side chain, the larger the difference between the two transition temperatures. In contrast, methylene bands are observed at sapphire interface with a single transition near T(m) (C18).     

A rationally designed genotoxin that selectively destroys estrogen receptor-positive breast cancer cells

We describe a novel strategy to increase the selective toxicity of genotoxic compounds. The strategy involves the synthesis of bifunctional molecules capable of forming DNA adducts that have high affinity for specific proteins in target cells. It is proposed that the association of such proteins with damaged sites in DNA can compromise protein function and/or DNA repair resulting in increased toxicity. We describe the synthesis of a bifunctional compound consisting of an aniline mustard linked to the 7alpha position of estradiol. This novel compound can form covalent DNA adducts that have high affinity for the estrogen receptor. Breast cancer cells that express high levels of the estrogen receptor showed increased sensitivity to the cytotoxic effects of the new compound.     

Experimentelle Untersuchung des Wärmeüberganges durch freie Konvektion an waagerechten Rippenrohren in einem zylindrischen Behälter

Experimental measurements of heat transfer by free convection in a cylindrical waterfilled enclosure from a horizontal finned tube of small fin height is reported. The measured heat transfers are presented in form of correlation equationsNu=f(Ra). The Rayleigh numbers have been alternatively defined with the annulus height, core diameter and an equivalent diameter defined for the finned tube. The correlation equations have been formulated for heat transfer (i) in an infinite medium and (ii) in an annulus. Results show that for the experimental annulus gap/enclosure diameter ratio of 24.66 and 40.74, the heat transfer analysis based on infinite medium assumption shows a somewhat better correlation although the influence of the enclosure cannot be completely neglected. Defining the Rayleigh number with an equivalent diameter makes it possible to compare the experimental measurements with those from a smooth tube.     

Kinetics of oxidative coupling of phenols: Oxidation of naphthols by alkaline hexacyanoferrate (III)

The oxidation of naphthols by alkaline hexacyanoferrate(III), at constant ionic strength, gave coupled products. The rate of the reaction was dependent on the first powers of the concentrations of substrate, oxidant, and alkali. The activation energies were 31.8 and 34.5 kJ/mol for α naphthol and β naphthol, respectively. The reaction pathway was via the formation of a radical intermediate, which was detected by electron spin resonance spectroscopy.     

Investigation of some branch and bound strategies for the solution of mixed integer linear programs

The branch and bound method of solving the mixed integer linear programming problem is summarized. The flexibility of this technique is examined through experiments with different branching and subproblem selection strategies, and the efficacy of these various heuristics is assessed.