Objective
As complex processes that they are, the knowledge about the chemiluminescence and bioluminescence phenomena is still being built up. Although much progress was done during the past decades, many mysteries remain unsolved. The mechanism of the complete luciferin-luciferase complex of the firefly is to date not understood in all its details, particularly, the light emitting species is still not conclusively determined. The chemiluminescence mechanism of the luminol molecule is unknown. The aim of this proposal is to apply the unique QM(SA-CASSCF/MS-CASPT2)/MM methodology as recently implemented in the MOLCAS program to understand these processes. Initially, the study of the luciferin-luciferase bioluminescence will be carried out to characterise the mechanism of this process. In a subsequent step the chemical origin of the multicolour bioluminescence will be analysed by applying the QM/MM approach to the wild-type and different mutant luciferin-luciferases. The chemiluminescence mechanism of luminol will be studied after that, by using the multiconfigurational methodology. The results will allow to establish the molecular basis of these processes and characterise them with accuracy, and will be a great impact for accurate studies of photochemical and biochemical processes of biological interest, also contributing to the future development of energy saving technologies and novel analysis processed as in medical applications. By means of the proposed project, the fellow will reach a great expertise in the field of Theoretical and Computational Photochemistry by strengthening his skills in the use of the CASSCF/CASPT2 methodology, acquiring much more experience with the employment of the QM/MM approach, and learning about the MOLCAS source code. The fellowship will allow the applicant to develop a promising scientific career to the European level.
Fields of science (EuroSciVoc)
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.
- natural sciences chemical sciences physical chemistry photochemistry
- social sciences economics and business business and management employment
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Programme(s)
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Topic(s)
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Call for proposal
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
FP7-PEOPLE-2009-IEF
See other projects for this call
Funding Scheme
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
Coordinator
751 05 Uppsala
Sweden
The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.