Issue 48, 2017

Analytical solution of the PELDOR inverse problem using the integral Mellin transform

Abstract

We describe a new model-free approach to solve the inverse problem in pulsed double electron–electron resonance (PELDOR, also known as DEER) spectroscopy and obtain the distance distribution function between two radicals from time-domain PELDOR data. The approach is based on analytical solutions of the Fredholm integral equations of the first kind using integral Mellin transforms to provide the distance distribution function directly. The approach appears to confine the noise in the computed distance distribution to short distances and does not introduce systematic distortions. Thus, the proposed analysis method can be a useful supplement to current methods to determine complicated distance distributions.

Graphical abstract: Analytical solution of the PELDOR inverse problem using the integral Mellin transform

Article information

Article type
Paper
Submitted
16 Jun 2017
Accepted
16 Nov 2017
First published
16 Nov 2017

Phys. Chem. Chem. Phys., 2017,19, 32381-32388

Analytical solution of the PELDOR inverse problem using the integral Mellin transform

A. G. Matveeva, V. M. Nekrasov and A. G. Maryasov, Phys. Chem. Chem. Phys., 2017, 19, 32381 DOI: 10.1039/C7CP04059H

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