Work

A Comparative Assessment of Several Deconvolution Methods Used for Fourier Transform Nuclear Magnetic Resonance Spectroscopy

Year: 2026

Type: article

Abstract: Based on our deconvolution result of the Tetraphenyl porphyrin nuclear magnetic resonance (NMR) spectrum, we initiated a goodness-of-fitting evaluation by overlaying the third-order derivatives of the native NMR spectrum and the entire reconstructed spectrum to appraise the accuracy of the reverse curve fitting method. Then, the same NMR overlapping band was deconvoluted by even-order derivatives and Fourier self-deconvolution, respectively. The reverse curve fitting demonstrated its superior achievements to the other two methods in the comparative assessment. Meanwhile, three traditional window functions (Bessel, Hamming, and 3-term Blackman–Harris) were examined for their apodization effects which will benefit reverse curve fitting performance.

Source: Magnetochemistry

DOI: 10.3390/magnetochemistry12010015

Authors: Shu-Ping Chen, Sandra M. Taylor, Sai Huang, Baoling Zheng

Institution: Camosun College

Language: English

Topic: Advanced NMR Techniques and Applications

Subfield: Spectroscopy

Field: Chemistry

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $2,654

Funder: Strong