Quantitative analysis with pulsed NMR and the CONTIN computer program

Abstract

Various substances have been analyzed by pulsed NMR at 0.47 T in order to extract quantitative information from the CPMG spin-echo signal. This signal can be considered to show the true T2 relaxation of the analyte/s. In most cases the relaxation is a first order process and the FID will be a sum of several exponentially decreasing signals. This can be resolved into its components by an inverse Laplace transform. To achieve this the CONTIN computer program has been our tool. The result is a spectrum-like graph with the peaks of the individual FIDs as functions of the time constants T2. By calculating the peak areas and divide them with the T2 of the peaks one can find the total number of protons relaxing in a T2-range. This may also bee done by drawing the graph with a logarithmic abscissa. Then the peak areas, now integrals of f(T2) with respect to lg T2, will directly show the relative amounts of protons at each T2 The spectrum will also be better resolved over a broader range of various relaxation times. However, as the peaks are assumed to have Gaussian shapes, they will be slightly distorted on a logarithmic abscissa. Thus, with an inverse Laplace transform it is possible to make calculations of the relative amount of protons in a sample without any chemical pretreatment. The result is not a full analysis of the sample but can be regarded as a characterization of its main components.