The site-selective H/D exchange reaction of phenol in sub- and supercritical water is studied without added catalysts. In subcritical water in equilibrium with steam at 210-240 degrees C, the H/D exchange proceeds both at the ortho and para sites in the phenyl ring, with no exchange observed at the meta site. The pseudo-first-order rate constants are of the order of 10(-4) s(-1); 50% larger for...

where CH and C are species of ferricytochrome c which exhibit a 69.5 nm absorbance band, and NC (no color) is a form without this band; the oxidation-reduction potentials of CH and NC differ significantly. The values of the constants in this scheme were determined at 25” except for the oxidation and reduction rate constants, which were determined at 22”. The pH dependence of the observed rate c...

A fundamental reworking of pharmacokinetic theory for the use of contrast reagents (CRs) in T(1)-weighted MRI studies is presented. Unlike the standard model in common use, this derivation starts with the quantities measured, the intravascular, interstitial, and intracellular (1)H(2)O signals. The time dependences of CR concentrations are introduced as perturbations of the T(1) values of these....

Based on the non-equilibrium Green’s function formalism the performance of carbon nanotube field-effect transistors has been studied. The effects of elastic scattering and the impact of parameters of inelastic scattering, such as electron-phonon coupling strength and phonon energy, on the device performance are analyzed.

the performance of nanoscale field effect diodes as a function of the spacer length between two gates is investigated. our numerical results show that the ion/ioff ratio which is a significant parameter in digital application can be varied from 101 to 104 for s-fed as the spacer length between two gates increases whereas this ratio is approximately constant for m-fed. the high-frequency perform...

We study techniques to incentivize self-interested agents to form socially desirable solutions in scenarios where they benefit from mutual coordination. Towards this end, we consider coordination games where agents have different intrinsic preferences but they stand to gain if others choose the same strategy as them. For non-trivial versions of our game, stable solutions like Nash Equilibrium m...

A general mechanism is proposed by which small intrinsic fluctuations in a system far from equilibrium can result in nearly deterministic dynamical behaviors which are markedly distinct from those realized in the meanfield limit. The mechanism is demonstrated for the kinetic MonteCarlo version of the Schnakenberg reaction where we identified a scaling limit in which the global deterministic bif...

A simple generative model of a foraging society generates significant wealth inequalities from identical agents on an equal opportunity landscape. These arise in both equilibrium and non-equilibrium regimes with some societies essentially never reaching equilibrium. Reproduction costs mitigate inequality beyond their affect intrinsic growth rate. The highest levels are found during regimes. Ine...

where r is the distance between covalently bonded atoms , a is the corresponding equilibrium distance, and ka is the spring constant. The equilibrium distance between atoms can be obtained from X-ray diffraction experiments or using ab initio quantum calculations. The spring constant can be determined using the results of infrared adsorption and Raman spectroscopy. The frequency of bond length ...

BACKGROUND Electroconvulsive therapy (ECT) is commonly used to treat depression in older adults. Despite its efficacy in this regard, an associated increase in the risk of falls in this population is a downside of treatment. ECT research has focused on the incidence of falls, but its effect on balance and gait - intrinsic factors in instability and falls - has not been studied. Our aim was to e...