Research output: Contribution to journal › Article › peer-review
Analytical solution of the PELDOR inverse problem using the integral Mellin transform. / Matveeva, Anna G.; Nekrasov, Vyacheslav M.; Maryasov, Alexander G.
In: Physical Chemistry Chemical Physics, Vol. 19, No. 48, 13.12.2017, p. 32381-32388.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Analytical solution of the PELDOR inverse problem using the integral Mellin transform
AU - Matveeva, Anna G.
AU - Nekrasov, Vyacheslav M.
AU - Maryasov, Alexander G.
PY - 2017/12/13
Y1 - 2017/12/13
N2 - 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.
AB - 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.
KW - ELECTRON-ELECTRON RESONANCE
KW - PAIR DISTANCE DISTRIBUTIONS
KW - TIKHONOV REGULARIZATION
KW - DEER SPECTROSCOPY
KW - MAXIMUM-ENTROPY
KW - SPIN-RESONANCE
KW - PULSED ELDOR
KW - EPR
KW - SOLIDS
KW - ECHO
UR - http://www.scopus.com/inward/record.url?scp=85038403514&partnerID=8YFLogxK
U2 - 10.1039/c7cp04059h
DO - 10.1039/c7cp04059h
M3 - Article
C2 - 29185558
AN - SCOPUS:85038403514
VL - 19
SP - 32381
EP - 32388
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
SN - 1463-9076
IS - 48
ER -
ID: 10065624