Struktura a dynamika v komplexech solvatovaných biomolekul
Public support
Provider
Academy of Sciences of the Czech Republic
Programme
Grants of distinctly investigative character focused on the sphere of research pursued at present particularly in the Academy of Sciences of the Czech Republic
Call for proposals
Výzkumné granty 7 (SAV02007-A)
Main participants
—
Contest type
VS - Public tender
Contract ID
IAA400550701
Alternative language
Project name in Czech
Structure and dynamics in complexes of solvated biomolecules
Annotation in Czech
This project integrates calculation methods of quantum chemistry with experimental methods of molecular spectroscopy for solving the structural descriptors and dynamic features that characterise nature of solvated biologically important molecules. Main focus will be paid to the complexes of metals and metal cations with fragments of nucleic acids and short model peptides. The research will be focused on structural behaviour of molecular spectroscopy parameters, NMR, VCD and Raman that will be confrontedwith experiment with the following goals: a) detected structural motifs of metal complexes via change of spectroscopy parameters, b) to gain insight into the correspondence of spectroscopy parameters and local molecular structure, c) study relevance andapplicability of investigated "spectroscopy probes", d) study impact of metal specificity, effect of hydration/solvation on local properties of studied complexes.
Scientific branches
R&D category
ZV - Basic research
CEP classification - main branch
CF - Physical chemistry and theoretical chemistry
CEP - secondary branch
—
CEP - another secondary branch
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OECD FORD - equivalent branches <br>(according to the <a href="http://www.vyzkum.cz/storage/att/E6EF7938F0E854BAE520AC119FB22E8D/Prevodnik_oboru_Frascati.pdf">converter</a>)
10403 - Physical chemistry
Completed project evaluation
Provider evaluation
V - Vynikající výsledky projektu (s mezinárodním významem atd.)
Project results evaluation
NMR parameters determining structure of nucleic acid backbone depends on pH and metal ion coordination. Modeling hyper conjugation in the backbone requires the dynamic el. correlation. Mechanism of reactions in the ruthenium complexes was elucidated.
Solution timeline
Realization period - beginning
Jan 1, 2007
Realization period - end
Dec 31, 2009
Project status
U - Finished project
Latest support payment
Apr 28, 2009
Data delivery to CEP
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data delivery code
CEP10-AV0-IA-U/01:1
Data delivery date
Jun 8, 2010
Finance
Total approved costs
4,171 thou. CZK
Public financial support
4,171 thou. CZK
Other public sources
0 thou. CZK
Non public and foreign sources
0 thou. CZK