On Thursday February 24, 2022 the IVAN Group held a discussion on Advanced NMR Analysis Methods for Challenging Spectral Data Sets. Dr. Michael Bernstein, Amber Analytical will lead the panel that includes Prof. Daniel Holland, University of Canterbury, Christchurch, NZ, Prof. Erik von Harbou, Tech Univ. Kaiserlautern, Germany.
Quantitative analysis of NMR spectra is a challenging task when complex mixtures with many species are studied. This is especially true for process analysis e.g. in the chemical or food industry. Typically, the data sets are large and the concentration of the relevant species differ by orders of magnitude. Furthermore, since in this case usually only benchtop spectrometers can be used, the spectra usually show large peak overlap and low signal-to-noise ratio. In this talk, we will present an analysis method that is based on a quantum chemical model. Using examples – the analysis of wine and the monitoring of complex reactions – we demonstrate the strengths of this method.