| EPSRC Reference: |
GR/R98662/01 |
| Title: |
Biological Molecules in the Gas Phase: Conformers, Clusters, Hydrates and Ions |
| Principal Investigator: |
Simons, Professor JP |
| Other Investigators: |
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| Department: |
Oxford Chemistry |
| Organisation: |
University of Oxford |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 April 2003 |
Ends: |
31 July 2006 |
Value (£): |
332,188
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| EPSRC Research Topic Classifications: |
| Chemical Biology |
Chemical Structure |
| Gas & Solution Phase Reactions |
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| EPSRC Industrial Sector Classifications: |
| Pharmaceuticals and Biotechnology |
No relevance to Underpinning Sectors |
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Summary on Grant Application Form |
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Biomolecular conformational landscapes are strongly influenced by both intramolecular interactions between neighbouring groups or charges, and interactions with the surrounding environment e.g., nearby water molecules, metal ions, and other bio-active molecules. During the last few years, through a kind of technology transfer that exploits strategies 'borrowed' from chemical physics and quantum chemistry, it has become possible to explore the architectures of individual blo-active molecules in the gas phase, e.g. neurotransmitters, amino acids, amides and small peptides, nucleic acid bases, and their protonated ions - the building blocks of larger biomolecular systems - and the supramolecular structures of their molecular complexes and hydrated clusters. Their 'structural images' are encoded in their vibrationally, and in favourable cases, rotationally resolved (or partially resolved) spectra. Conversion of the images into structural assignments depends crucially on the support provided by high-level quantum chemical calculation. Theory provides the '8 la carte' menu - experimental observation and analysis indicates which ones are actually chosen. The new methods will be developed and exploited to determine the absolute structures of a wide range of neutral, ionised and protonated biomolecules, and of their molecular and hydrated clusters. They will also be used to generate direct, bond-specific information about local interactions, particularly those involving hydrogen bonding.
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Key Findings |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Potential use in non-academic contexts |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Impacts |
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| Description |
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk |
| Summary |
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| Date Materialised |
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Sectors submitted by the Researcher |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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| Project URL: |
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| Further Information: |
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| Organisation Website: |
http://www.ox.ac.uk |