Abstract
NMR diffusometry and its flagship layout, diffusion-ordered spectroscopy (DOSY), are versatile for studying mixtures of bioorganic and synthetic molecules, but a limiting factor of its applicability is the requirement of a mathematical treatment capable of distinguishing molecules with similar spectra or diffusion constants. We present here a processing strategy for DOSY, a synergy of two high-performance blind source separation (BSS) techniques: non-negative matrix factorization (NMF) using additional sparse conditioning (SC), and the JADE (joint approximate diagonalization of eigenmatrices) declination of independent component analysis (ICA). While the first approach has an intrinsic affinity for NMR data, the latter one can be orders of magnitude computationally faster and can be used to simplify the parametrization of the former.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
