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Details of Grant 

EPSRC Reference: GR/M69036/01
Title: DECONVOLUTION OF PROTON LCNMR BY MULTIVARIATE METHODS
Principal Investigator: Brereton, Professor RG
Other Investigators:
Researcher Co-Investigators:
Project Partners:
GlaxoSmithKline plc (GSK)
Department: Chemistry
Organisation: University of Bristol
Scheme: Standard Research (Pre-FEC)
Starts: 01 October 2000 Ends: 30 September 2002 Value (£): 104,952
EPSRC Research Topic Classifications:
Analytical Science
EPSRC Industrial Sector Classifications:
Chemicals Pharmaceuticals and Biotechnology
Information Technologies No relevance to Underpinning Sectors
Related Grants:
Panel History:  
Summary on Grant Application Form
A case study of two closely similar compounds will be chosen in collaboration with industry. LCNMR methods will be developed to balance chromatographic resolution with spectroscopic quality. Chromatographic method development will be required to establish suitable conditions, with special attention paid to economic use of deuterated solvents. A small package will be implemented on a powerful PC to process LC-FTNMR data, inclusive of the problems of data storage. New multivariate methods for deconvolution of LCNMR of mixtures will be established, involving identifying the characteristic NMR peaks, establishing characteristic peaks for each component in the mixture and then, by regression, establishing elution profiles and full spectra for each component in the mixture. Further case studies will be found to obtain a range of quality of chromatograms and spectra.
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Organisation Website: http://www.bris.ac.uk