Direct Approach to Pulse Dipolar Spectroscopy Measurement of Mean Distance between Spins by Electron Paramagnetic Resonance

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Direct Approach to Pulse Dipolar Spectroscopy Measurement of Mean Distance between Spins by Electron Paramagnetic Resonance. / Nekrasov, V. M.; Matveeva, A. G.; Syryamina, V. N. et al.

In: Applied Magnetic Resonance, 09.01.2025.

Research output: Contribution to journal › Article › peer-review

BibTeX

@article{a8c7bc2e1d114ffe8a93e1012747ffdc,

title = "Direct Approach to Pulse Dipolar Spectroscopy Measurement of Mean Distance between Spins by Electron Paramagnetic Resonance",

abstract = "An analytical approach is demonstrated for the direct calculation of the mean distance between a pair of spins from pulse dipolar spectroscopy measurements by electron paramagnetic resonance. This direct approach uses the Mellin integral transform and does not measure the spectrum of distances between spins, offering substantial increases in sensitivity. The approach provides accurate a priori prediction of the uncertainty for a mean distance measurement, based only on experimental measurement parameters and the final signal-to-noise ratio. The feasibility of this approach is confirmed by comparison with the standard indirect approaches using a set of in silico measurements. The new approach demonstrates comparable accuracy and possibilities for enhancing sensitivity. {\textcopyright} The Author(s), under exclusive licence to Springer-Verlag GmbH Austria, part of Springer Nature 2025.",

keywords = "DEER, Distance distribution function, Mellin transform, PDS, PELDOR",

author = "Nekrasov, {V. M.} and Matveeva, {A. G.} and Syryamina, {V. N.} and Agarkin, {S. A.} and Bowman, {M. K.}",

note = "Russian Science Foundation, 24-23-00484.",

year = "2025",

month = jan,

day = "9",

doi = "10.1007/s00723-024-01748-7",

language = "English",

journal = "Applied Magnetic Resonance",

issn = "0937-9347",

publisher = "Springer-Verlag GmbH and Co. KG",

}

RIS

TY - JOUR

T1 - Direct Approach to Pulse Dipolar Spectroscopy Measurement of Mean Distance between Spins by Electron Paramagnetic Resonance

AU - Nekrasov, V. M.

AU - Matveeva, A. G.

AU - Syryamina, V. N.

AU - Agarkin, S. A.

AU - Bowman, M. K.

N1 - Russian Science Foundation, 24-23-00484.

PY - 2025/1/9

Y1 - 2025/1/9

N2 - An analytical approach is demonstrated for the direct calculation of the mean distance between a pair of spins from pulse dipolar spectroscopy measurements by electron paramagnetic resonance. This direct approach uses the Mellin integral transform and does not measure the spectrum of distances between spins, offering substantial increases in sensitivity. The approach provides accurate a priori prediction of the uncertainty for a mean distance measurement, based only on experimental measurement parameters and the final signal-to-noise ratio. The feasibility of this approach is confirmed by comparison with the standard indirect approaches using a set of in silico measurements. The new approach demonstrates comparable accuracy and possibilities for enhancing sensitivity. © The Author(s), under exclusive licence to Springer-Verlag GmbH Austria, part of Springer Nature 2025.

AB - An analytical approach is demonstrated for the direct calculation of the mean distance between a pair of spins from pulse dipolar spectroscopy measurements by electron paramagnetic resonance. This direct approach uses the Mellin integral transform and does not measure the spectrum of distances between spins, offering substantial increases in sensitivity. The approach provides accurate a priori prediction of the uncertainty for a mean distance measurement, based only on experimental measurement parameters and the final signal-to-noise ratio. The feasibility of this approach is confirmed by comparison with the standard indirect approaches using a set of in silico measurements. The new approach demonstrates comparable accuracy and possibilities for enhancing sensitivity. © The Author(s), under exclusive licence to Springer-Verlag GmbH Austria, part of Springer Nature 2025.

KW - DEER

KW - Distance distribution function

KW - Mellin transform

KW - PDS

KW - PELDOR

UR - https://www.mendeley.com/catalogue/26d0eb2f-db2d-39d5-ba4f-62e293db4562/

UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85217180164&origin=inward&txGid=6a563bc61d8bc7c4605dfa20fb3e501b

U2 - 10.1007/s00723-024-01748-7

DO - 10.1007/s00723-024-01748-7

M3 - Article

JO - Applied Magnetic Resonance

JF - Applied Magnetic Resonance

SN - 0937-9347

ER -

ID: 64713294