QCEXVAL: QUANTUM CHEMISTRY OF THE EXCITED STATE
COST Action P9: Radiation Damage in Biomolecular
Systems. A European Network
A COST network on radiation damage is initiated in early 2004. Four
working groups (WG) are currently formed:
-WG1: Electron and biomolecular interactions (Chair: D Field )
-WG2: Ions and biomolecular interactions (Chair: T Schlathölter)
-WG3: Radiation in physiological environments (Chair: K McGuigan)
-WG4: Theoretical developments for radiation damage (Chair: M. C.
Bacchus)
-WG5: Track Structure in cells (Chair: H Paretzke)
Our group is integrated within the Task Group 4: Theoretical
Developments for Radiation Damage.
Local coordinator: Luis Serrano-Andrés
Other group participants: Manuela Merchán
Remedios González-Luque
Mercedes
Rubio
Teresa
Climent
Daniel Roca
Sanjuán
Juan José Serrano
Pérez
Gloria Olaso González
Israel González Ramírez
Coordinator of Working Group 4: Prof. Marie-Christine Bacchus,
Université de Lyon, France
Coordinator of the COST Action: Prof. Nigel
Mason Open Universty,
United Kingdom
Webpage: http://www.isa.au.dk/cost/ho
me.html
The main objective of this COST Action is to obtain a detailed
understanding of the fundamental interaction processes for
different types of incident radiation that occur from the initial
deposition of radiative energy to the formation of radiation
damage in biological material. This will be achieved by combining
the wide range of complementary experimental and theoretical expertise
available within the affiliated groups. A few selected
prototypical bio-molecules will be used as relatively simple model
systems in order to achieve the highest level of coherence in
this joint venture. The information, expertise and new theoretical
insights that will be obtained will then be applied to the study of
more complex systems such as composite mixed clusters containing
bio-molecules or e.g. plasmid DNA. The elucidation of fundamental
energy transfer and coupling mechanisms, ionisation, charge transport
and reaction behaviour that will be determined in this Action
will in turn be used to develop models of the track structures in
irradiated media. Such models can be used to determine a more reliable
quantification of human epidemiological experience when humans
are subject to low radiation doses in homes (e.g. local radon
levels), in the workplace, in diagnostic medicine, or in transport (as
caused e.g. by natural background radiation, primary and secondary
cosmic rays in airplanes) or even by mobile phone use where
currently there are no reliable experimental or epidemiological data
available.
Our contribution falls within goal B of the network, a joint
experimental/theoretical investigation to determine the role
played by excited electronic states and non-adiabatic couplings on the
dynamics of biomolecules interacting with ionizing radiation.
This will involve the calculation of potential energy surfaces
and of the coupling between electronic states, the analysis of the
coordination space and the study of quantum dynamics using wave
packet propagation methods.
1st COST P9 Meeting: Lyon, 24th to 27th June, 2004.
2nd COST P9 Meeting: Postdam, 16th to 20th March, 2005.
3rd COST P9 Meeting: Gröningen, 6th to 9th June, 2006.
4th COST P9 Meeting: Dublin, 19th to 22th June, 2007.
1st COST P9 Working Group 4 Meeting: Brussels, 28th October, 2004.
2nd COST P9 Working Group 4 Meeting: Lyon, spring 2007.
COST meeting:
Symposium on Radiation Effects of Biomedical Interest
Madrid, 22snd-25th February, 2007