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

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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

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Publication details

The article was received on 16 Jun 2017, accepted on 16 Nov 2017 and first published on 16 Nov 2017


Article type: Paper
DOI: 10.1039/C7CP04059H
Citation: Phys. Chem. Chem. Phys., 2017, Advance Article
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    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, Advance Article , DOI: 10.1039/C7CP04059H

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