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Towards Rapid and Unique Curve Resolution of Low-Field NMR Relaxation Data: Trilinear SLICING versus Two-Dimensional Curve Fitting by Henrik Toft Pedersen; Rasmus Bro; Søren Balling Engelsen is a Chemistry article available to read on EtoBox.

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In this work an alternative method, named SLICING, for two-dimensional and noniterative T(2) decomposition of low-field pulsed NMR data (LF-NMR) is proposed and examined. The method is based on the Direct Exponential Curve Resolution Algorithm (DECRA) proposed by W. Windig and A. Antalek (1997, Chemom. Intell. Lab. Syst.37, 241-254) and takes advantage of the fact that exponential decay functions, when translated in time, retain their characteristic relaxation times while only their relative amounts or concentrations change. By such simple translations (slicing) it is possible to create a new "pseudo" direction in the relaxation data and thus facilitate application of trilinear (multiway) data-analytical methods. For the application on LF-NMR relaxation data, the method has two basic requirements in practice: (1) two or more samples must be analyzed simultaneously and (2) all samples must contain the same qualities (i.e., identical sets of distinct T(2) values). In return, if these requirements are fulfilled, the SLICING (trilinear decomposition) method provides very fast and unique curve-resolution of multiexponential LF-NMR relaxation curves and, as a spin-off, calibrations to re

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Author

Henrik Toft Pedersen; Rasmus Bro; Søren Balling Engelsen

Publisher

Elsevier Science; Elsevier ; Elsevier Inc.; Elsevier BV (ISSN 1090-7807)

Published

2002

Language

EN

Field

Chemistry (Physical Sciences)