A Bayesian approach for the alignment of high-resolution NMR spectra

: The rapid progresses in human genome project and biotechnologies result in the sheer volume of datasets associated with in-depth scientific knowledge. Metabolomics is defined as the study for understanding metabolic process in living systems. Metabolomics approaches that used high-resolution nuclear magnetic resonance (NMR) spectroscopy have been used to characterize metabolic variations in response to physiological alternation, disease states, genetic modification, and nutrition intake. An NMR spectrum usually involves tens of thousands of variables and the comparison of multiple spectra lead to a huge number of data points and a situation that poses a great challenge to analytical and computational capabilities. When considering multiple spectra, small variations due to concentration, pH, and temperature, influence the spectral alignment and thus can interfere with direct comparisons between samples. Thus, it is crucial to align spectra before applying any subsequent statistical an...

• Type: Journal
• Year: 2010
• Where: ANOR
• Authors: Seoung Bum Kim, Zhou Wang, Basavaraj Hiremath
• Keywords: ANOR 2010, Human Genome Project, In-depth Scientific Knowledge, Multiple Spectra