Entropy minimization and spectral dissimilarity curve resolution technique applied to nuclear magnetic resonance data sets |
| |
Authors: | Widjaja Effendi Garland Marc |
| |
Affiliation: | Department of Chemical and Biomolecular Engineering, National University of Singapore, 4 Engineering Drive 4, 117576, Singapore. |
| |
Abstract: | The use of entropy minimization and spectral dissimilarity is applied to three nuclear magnetic resonance (NMR) data sets. The data sets contain 2, 2, and 3 observables each. It was found that without any a priori information the sets of pure component spectra underlying the NMR spectroscopic observations could be extracted. These successful spectral resolutions suggest that a combined entropy minimization and spectral dissimilarity approach can be further developed for even larger NMR data sets containing a larger number of observables. Brief comparison to DECRA and PMF curve resolution results is also presented. |
| |
Keywords: | |
本文献已被 PubMed 等数据库收录! |
|