A classical but new kinetic equation to estimate activation energies of various hydride transfer reactions was developed according to transition state theory using the Morse-type free energy curves of hydride donors to release a hydride anion and hydride acceptors to capture a hydride anion and by which the activation energies of 187 typical hydride self-exchange reactions and more than thirty ...

BACKGROUND Cycles of covalent modification are ubiquitous motifs in cellular signalling. Although such signalling cycles are implemented via a highly concise set of chemical reactions, they have been shown to be capable of producing multiple distinct input-output mapping behaviours - ultrasensitive, hyperbolic, signal-transducing and threshold-hyperbolic. RESULTS In this paper, we show how th...

Translators' Note This article is an English translation of a paper by Robert Luther on his discovery. investigation. and analysis d chemical waves. The source of the translation is a transcript of a lecture and the following discussion at the Main Meeting of the Deutsche Bunsengesellschafl fur Angewandte Physikalische Chemie held in Dresden. Germany, from May 21 to 24. 1906. It was published b...

In this letter we analyse an amazing variational approach to chemical reactions. Our results clearly show that the variational expressions are unsuitable for the analysis of empirical data obtained from chemical reactions. Some time ago Liu and He [1] proposed the application of a variational approach to chemical reactions. Their method consisted of the transformation of the differential equati...

A kinetic description of lattice-gas automaton models for reaction-diffusion systems is presented. It provides corrections to the mean field rate equations in the diffusion-limited regime. When applied to the two-species Maginu model, the theory gives an excellent quantitative prediction of the effect of slow diffusion on the periodic oscillations of the average concentrations in a spatially ho...

Molecular simulation studies of chemical equilibrium for several reactions in pores of slit-like and cylindrical geometry have shown a significant effect of the confinement on the equilibrium compositions, with differences of several orders of magnitude with respect to the bulk fluid phase in some cases. As a first step towards the calculation of rate constants in confinement, we have studied t...

Abstract. The formal structure of geometrical thermodynamics is reviewed with particular emphasis on the geometry of equilibria submanifolds. On these submanifolds thermodynamic metrics are defined as the Hessian of thermodynamic potentials. Links between geometry and thermodynamics are explored for single and multiple component, closed and open systems. For single component, closed thermodynam...

Ultrafast laser spectroscopy has extended reaction-dynamic studies into the dcosecond and femtosecond time domain. allowing for experimintal observations of transitory fragments that occur during collision or half-collision. This ability to observe molecular reactions allows real-time viewing of energy redistributions, measurements of state-to-state rates, and tests of microscopic statistical t...

On this occasion of sharing the high honor of a Nobel Award with Edward L. Tatum for our" . . . discovery that genes act by regulating chemical events", and with Joshua Lederberg for his related" . . . discoveries concerning the organization of the genetic material of bacteria", it seems appropriate that I sketch briefly the background events that led to the work on Neurospora that Tatum and I ...

LIGAND is a composite database comprising three sections: ENZYME for the information of enzyme molecules and enzymatic reactions, COMPOUND for the information of metabolites and other chemical compounds, and REACTION for the collection of substrate-product relations. The current release includes 3390 enzymes, 5645 compounds and 5207 reactions. The database is indispensable for the reconstructio...