Analytically optimized noise redistribution in pulsed dipolar EPR spectroscopy

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Analytically optimized noise redistribution in pulsed dipolar EPR spectroscopy. / Nekrasov, V. M.; Matveeva, A. G.; Syryamina, V. N. и др.

в: Physical Chemistry Chemical Physics, Том 28, № 5, 5, 2026, стр. 3272-3281.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

BibTeX

@article{66ee6995263945fa8c937c032b38d460,

title = "Analytically optimized noise redistribution in pulsed dipolar EPR spectroscopy",

abstract = "Non-uniform data acquisition protocols are derived analytically for optimizing the measurement of nanometer distance using pulsed dipolar spectroscopy methods, such as DEER (double electron–electron resonance). The random measurement noise is redistributed by non-uniform averaging of the signal. This optimizes the accuracy and efficiency of the measurement of the first four non-central moments of the distribution of distances within pairs of spin labels attached to nanostructures. With these protocols, the mean distance can typically be measured with the same accuracy in half the time or with 40% greater accuracy in the same time. Different signal averaging schemes are optimal for each of the first four moments, but the optimal scheme for the first moment works well for all moments and for the measurement of the entire distance distribution of distances in the sample. These protocols were tested in silico using three approaches for analysis of the DEER data: the Tikhonov regularization, model-based fitting, and Mellin transform approaches. The non-uniform acquisition protocols produced significantly better results than each of the analysis protocols.",

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

note = "Analytically optimized noise redistribution in pulse dipolar EPR spectroscopy / V. M. Nekrasov, A. G. Matveeva, V. N. Syryamina [et al.] // PCCP: Physical Chemistry Chemical Physics. – 2026. – DOI 10.1039/d5cp04144a. – EDN HDUMLD.",

year = "2026",

doi = "10.1039/d5cp04144a",

language = "English",

volume = "28",

pages = "3272--3281",

journal = "Physical Chemistry Chemical Physics",

issn = "1463-9076",

publisher = "Royal Society of Chemistry",

number = "5",

}

RIS

TY - JOUR

T1 - Analytically optimized noise redistribution in pulsed dipolar EPR spectroscopy

AU - Nekrasov, V. M.

AU - Matveeva, A. G.

AU - Syryamina, V. N.

AU - Agarkin, S. A.

AU - Bowman, M. K.

N1 - Analytically optimized noise redistribution in pulse dipolar EPR spectroscopy / V. M. Nekrasov, A. G. Matveeva, V. N. Syryamina [et al.] // PCCP: Physical Chemistry Chemical Physics. – 2026. – DOI 10.1039/d5cp04144a. – EDN HDUMLD.

PY - 2026

Y1 - 2026

N2 - Non-uniform data acquisition protocols are derived analytically for optimizing the measurement of nanometer distance using pulsed dipolar spectroscopy methods, such as DEER (double electron–electron resonance). The random measurement noise is redistributed by non-uniform averaging of the signal. This optimizes the accuracy and efficiency of the measurement of the first four non-central moments of the distribution of distances within pairs of spin labels attached to nanostructures. With these protocols, the mean distance can typically be measured with the same accuracy in half the time or with 40% greater accuracy in the same time. Different signal averaging schemes are optimal for each of the first four moments, but the optimal scheme for the first moment works well for all moments and for the measurement of the entire distance distribution of distances in the sample. These protocols were tested in silico using three approaches for analysis of the DEER data: the Tikhonov regularization, model-based fitting, and Mellin transform approaches. The non-uniform acquisition protocols produced significantly better results than each of the analysis protocols.

AB - Non-uniform data acquisition protocols are derived analytically for optimizing the measurement of nanometer distance using pulsed dipolar spectroscopy methods, such as DEER (double electron–electron resonance). The random measurement noise is redistributed by non-uniform averaging of the signal. This optimizes the accuracy and efficiency of the measurement of the first four non-central moments of the distribution of distances within pairs of spin labels attached to nanostructures. With these protocols, the mean distance can typically be measured with the same accuracy in half the time or with 40% greater accuracy in the same time. Different signal averaging schemes are optimal for each of the first four moments, but the optimal scheme for the first moment works well for all moments and for the measurement of the entire distance distribution of distances in the sample. These protocols were tested in silico using three approaches for analysis of the DEER data: the Tikhonov regularization, model-based fitting, and Mellin transform approaches. The non-uniform acquisition protocols produced significantly better results than each of the analysis protocols.

UR - https://www.scopus.com/pages/publications/105027458296

UR - https://elibrary.ru/item.asp?id=88702547

UR - https://www.mendeley.com/catalogue/dcaa72e8-01bb-3a97-937b-5ba99f68e440/

U2 - 10.1039/d5cp04144a

DO - 10.1039/d5cp04144a

M3 - Article

C2 - 41542978

VL - 28

SP - 3272

EP - 3281

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

SN - 1463-9076

IS - 5

M1 - 5

ER -

ID: 74613334