A class of generalized Lévy Laplacians in infinite dimensional calculus

A class of generalized Lévy Laplacians which contain as a special case the ordinary Lévy Laplacian are considered. Topics such as limit average of the second order functional derivative with respect to a certain equally dense (uniformly bounded) orthonormal base, the relations with Kuo’s Fourier transform and other infinite dimensional Laplacians are studied.

Kappa calculus and evidential strength: A note on Åqvist's logical theory of legal evidence

Lennart Åqvist (1992) proposed a logical theory of legal evidence, based on the Bolding-Ekelöf of degrees of evidential strength. This paper reformulates Åqvist's model in terms of the probabilistic version of the kappa calculus. Proving its acceptability in the legal context is beyond the present scope, but the epistemological debate about Bayesian Law isclearly relevant. While the present model is a possible link to that lineof inquiry, we offer some considerations about the broader picture of thepotential of AI & Law in the evidentiary context. Whereas probabilisticreasoning is well-researched in AI, calculations about the threshold ofpersuasion in litigation, whatever their value, are just the tip of theiceberg. The bulk of the modeling desiderata is arguably elsewhere, if one isto ideally make the most of AI's distinctive contribution as envisaged forlegal evidence research.

[Performance review] Carl Djerassi, Calculus

Review of a semi-staged performance of Calculus by Carl Djerassi at the Royal Institution, London on 30 September 2002.

Can density functional theory (DFT) be used as an aid to a deeper understanding of tandem mass spectrometric fragmentation pathways?

Prediction of tandem mass spectrometric (MS/MS) fragmentation for non-peptidic molecules based on structure is of immense interest to the mass spectrometrist. If a reliable approach to MS/MS prediction could be achieved its impact within the pharmaceutical industry could be immense. Many publications have stressed that the fragmentation of a molecular ion or protonated molecule is a complex process that depends on many parameters, making prediction difficult. Commercial prediction software relies on a collection of general heuristic rules of fragmentation, which involve cleaving every bond in the structure to produce a list of 'expected' masses which can be compared with the experimental data. These approaches do not take into account the thermodynamic or molecular orbital effects that impact on the molecule at the point of protonation which could influence the potential sites of bond cleavage based on the structural motif. A series of compounds have been studied by examining the experimentally derived high-resolution MS/MS data and comparing it with the in silico modelling of the neutral and protonated structures. The effect that protonation at specific sites can have on the bond lengths has also been determined. We have calculated the thermodynamically most stable protonated species and have observed how that information can help predict the cleavage site for that ion. The data have shown that this use of in silico techniques could be a possible way to predict MS/MS spectra. Copyright (C) 2009 John Wiley & Sons, Ltd.