Effect of rotation in NMR diffusion experiments on micron-sized particles: A generalized theoretical treatment

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Effect of rotation in NMR diffusion experiments on micron-sized particles: A generalized theoretical treatment. / Podkorytov, Ivan S.; Skrynnikov, Nikolai R.

In: Journal of Magnetic Resonance, Vol. 344, 107303, 01.11.2022.

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

BibTeX

@article{cbf314f423ff4e28903ed60063958444,

title = "Effect of rotation in NMR diffusion experiments on micron-sized particles: A generalized theoretical treatment",

abstract = "We have recently developed an analytical framework to interpret the results of pulsed field gradient (PFG) NMR experiments on solution samples of micron-sized amyloid fibrils [Angew. Chem. Int. Ed. 60 (2021) 15445–15451. https://doi.org/10.1002/anie.202102408]. Here we generalize this result by reporting a rigorous theoretical model of such experiments, implemented in a form of efficient computational scheme. In particular, the new treatment fully accounts for the anisotropy of fibrils{\textquoteright} translational diffusion and takes into consideration the finite length of the gradient pulses. The results hold not only for the historic spin-echo sequence, but also for the widely used stimulated echo experiment. We have found that fibrils{\textquoteright} rotation can attenuate the echo by a factor comparable with that of translation. However, contrary to some recent claims, the rotational mechanism cannot lead to an apparent fast-diffusion situation.",

keywords = "Amyloid fibrils, Large macromolecular assemblies, Pulsed field gradient NMR experiments, Rod-shaped and spherical particles, Rotational and translational diffusion",

author = "Podkorytov, {Ivan S.} and Skrynnikov, {Nikolai R.}",

note = "Publisher Copyright: {\textcopyright} 2022 Elsevier Inc.",

year = "2022",

month = nov,

day = "1",

doi = "10.1016/j.jmr.2022.107303",

language = "English",

volume = "344",

journal = "Journal of Magnetic Resonance - Series A",

issn = "1090-7807",

publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Effect of rotation in NMR diffusion experiments on micron-sized particles: A generalized theoretical treatment

AU - Podkorytov, Ivan S.

AU - Skrynnikov, Nikolai R.

PY - 2022/11/1

Y1 - 2022/11/1

N2 - We have recently developed an analytical framework to interpret the results of pulsed field gradient (PFG) NMR experiments on solution samples of micron-sized amyloid fibrils [Angew. Chem. Int. Ed. 60 (2021) 15445–15451. https://doi.org/10.1002/anie.202102408]. Here we generalize this result by reporting a rigorous theoretical model of such experiments, implemented in a form of efficient computational scheme. In particular, the new treatment fully accounts for the anisotropy of fibrils’ translational diffusion and takes into consideration the finite length of the gradient pulses. The results hold not only for the historic spin-echo sequence, but also for the widely used stimulated echo experiment. We have found that fibrils’ rotation can attenuate the echo by a factor comparable with that of translation. However, contrary to some recent claims, the rotational mechanism cannot lead to an apparent fast-diffusion situation.

AB - We have recently developed an analytical framework to interpret the results of pulsed field gradient (PFG) NMR experiments on solution samples of micron-sized amyloid fibrils [Angew. Chem. Int. Ed. 60 (2021) 15445–15451. https://doi.org/10.1002/anie.202102408]. Here we generalize this result by reporting a rigorous theoretical model of such experiments, implemented in a form of efficient computational scheme. In particular, the new treatment fully accounts for the anisotropy of fibrils’ translational diffusion and takes into consideration the finite length of the gradient pulses. The results hold not only for the historic spin-echo sequence, but also for the widely used stimulated echo experiment. We have found that fibrils’ rotation can attenuate the echo by a factor comparable with that of translation. However, contrary to some recent claims, the rotational mechanism cannot lead to an apparent fast-diffusion situation.

KW - Amyloid fibrils

KW - Large macromolecular assemblies

KW - Pulsed field gradient NMR experiments

KW - Rod-shaped and spherical particles

KW - Rotational and translational diffusion

UR - http://www.scopus.com/inward/record.url?scp=85139852702&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/71b2bc04-793f-3caa-963c-940756a64550/

U2 - 10.1016/j.jmr.2022.107303

DO - 10.1016/j.jmr.2022.107303

M3 - Article

AN - SCOPUS:85139852702

VL - 344

JO - Journal of Magnetic Resonance - Series A

JF - Journal of Magnetic Resonance - Series A

SN - 1090-7807

M1 - 107303

ER -

ID: 99689160