Enthalpic efficiency

Ladbury, J. (2007) Enthalpic efficiency and the role of thermodynamic data in drug development possibility or a pipeline dream . European Pharmaceutical Review, 12, 59-62. 

Monte Carlo simulations are an efficient way of predicting liquid structure, including the preferred orientation of liquid molecules near a surface. This is an efficient method because it is not necessary to compute energy derivatives, thus reducing the time required for each iteration. The statistical nature of these simulations ensures that both enthalpic and entropic effects are included. 

Flory-Huggins interaction parameter (-) enthalpic contribution to x ( ) entropic contribution to x ( ) efficiency factor for sorption (-)... 

SAs, e.g. A -acetyl phenylalanine, have been resolved with purely aqueous buffered mobile phases however, with lower efficiency than under aqueous-organic conditions. Most enantioseparations investigated so far are enthalpically driven as exemplified in Fig. 9.34d) for DNS-valine. 

The thermochemical aspect of the reactions producing glass from the batch is of particular significance from the point of view of technology, as its knowledge allows to determine the thermal efficiency of the melting process. Although the individual reactions may be exothermic, the total enthalpic effect is an endothermic one. The... 

Intramolecular reactions are faster because AS - the entropy of activation (the probability of the reactant groups meeting) - is high and fastest when the reaction is a cyclisation (corresponding to intramolecular nucleophilic catalysis), which may be particularly favorable enthalpically. The simple measure of efficiency is the effective molarity (EM), the (often hypothetical) concentration of the neighboring group needed to make the corresponding intermolecular process go at the same rate [36]. It is simply measured, as the ratio of the first order rate constant of the intramolecular reaction and the second order rate constant for the (as far as possible identical) intermolecular process. In some convenient cases both reactions can be observed simultaneously, (Scheme 2.15) [37], and EM = ki/k2 measured di-... 

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