To be confirmed
- Event time: 1:00pm
- Event date: 25th May 2009
- Speaker: Toni Collis (Formerly School of Physics & Astronomy, University of Edinburgh)
- Location: Room 2511, James Clerk Maxwell Building (JCMB) James Clerk Maxwell Building Peter Guthrie Tait Road Edinburgh EH9 3FD GB
I will present the analysis of a Molecular Dynamics study on solvated glutamate, one of the 20 proteinogenic amino acids. Glutamate has gained media interest in recent years due to the use of mono sodium glutamate as a flavour enhancer in food and the associated health risks. Although it is essential for proteins and is the most abundant excitory neurotransmitter, an extra-cellular build up of glutamate has been associated with various neuroendocrine and neurological disorders, although much of this is poorly understood. Thus a combination of experimental and computer simulation is needed to understand glutamate so that we can build a better picture of why glutamate outside proteins can be dangerous. A recent study (E.J.M. Leenders et al., J. Chem. Theory Comput. 4, 898 (2008)) discussed the water-glutamate interactions, however no work has been done on glutamate-glutamate interactions in solution. Our work aims to build on this, focusing on the glu-glu interactions instead of the solute-solvent effects. We found a marked difference in the behaviour of the two carboxylate groups on glutamate, particularly with the side-chain showing a greater propensity to form bifurcated bonds. I will therefore present a discussion of the structural properties of the two carboxylate groups of glutamate molecules in aqueous solution.
This is a weekly series of informal talks given primarily by members of the soft condensed matter and statistical mechanics groups, but is also open to members of other groups and external visitors. The aim of the series is to promote discussion and learning of various topics at a level suitable to the broad background of the group. Everyone is welcome to attend..