Radio frequency assisted homonuclear recoupling - A Floquet description of homonuclear recoupling via surrounding heteronuclei in fully protonated to fully deuterated systems

Michal Leskes; Ümit Akbey; Hartmut Oschkinat; Barth Jan Van Rossum; Shimon Vega

doi:10.1016/j.jmr.2011.01.015

Radio frequency assisted homonuclear recoupling - A Floquet description of homonuclear recoupling via surrounding heteronuclei in fully protonated to fully deuterated systems

Michal Leskes
, Ümit Akbey
, Hartmut Oschkinat
, Barth Jan Van Rossum
, Shimon Vega^*

^*Corresponding author for this work

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

18 Citations (Scopus)

Abstract

We present a Floquet theory approach for the analysis of homonuclear recoupling assisted by radio frequency (RF) irradiation of surrounding heteronuclear spins. This description covers a broad range of systems from fully protonated to deuterated proteins, focusing in detail on recoupling via protons and deuterons separately as well as simultaneously by the double nucleus enhanced recoupling (DONER) scheme. The theoretical description, supported by numerical simulations and compared to experimental results from a partially deuterated model compound, indicates that in perdeuterated systems setting the RF amplitude equal to the magic angle spinning (MAS) frequency is not necessarily optimal for recoupling via ¹H and/or ²H nuclei and modified recoupling conditions are identified.

Original language	English
Journal	Journal of Magnetic Resonance
Volume	209
Issue	2
Pages (from-to)	207-219
Number of pages	13
ISSN	1090-7807
DOIs	https://doi.org/10.1016/j.jmr.2011.01.015
Publication status	Published - 1 Apr 2011

Keywords

C-C recoupling
DARR
DONER
Floquet theory
MAS
Perdeuterated proteins
RAD
Solid state NMR

Access to Document

10.1016/j.jmr.2011.01.015

http://www.scopus.com/inward/record.url?scp=79953216314&partnerID=8YFLogxK

Library access?

Check availability with the Royal Danish Library

Cite this

@article{a9356afbf518413c93bba4d10e3e2065,

title = "Radio frequency assisted homonuclear recoupling - A Floquet description of homonuclear recoupling via surrounding heteronuclei in fully protonated to fully deuterated systems",

abstract = "We present a Floquet theory approach for the analysis of homonuclear recoupling assisted by radio frequency (RF) irradiation of surrounding heteronuclear spins. This description covers a broad range of systems from fully protonated to deuterated proteins, focusing in detail on recoupling via protons and deuterons separately as well as simultaneously by the double nucleus enhanced recoupling (DONER) scheme. The theoretical description, supported by numerical simulations and compared to experimental results from a partially deuterated model compound, indicates that in perdeuterated systems setting the RF amplitude equal to the magic angle spinning (MAS) frequency is not necessarily optimal for recoupling via 1H and/or 2H nuclei and modified recoupling conditions are identified.",

keywords = "C-C recoupling, DARR, DONER, Floquet theory, MAS, Perdeuterated proteins, RAD, Solid state NMR",

author = "Michal Leskes and {\"U}mit Akbey and Hartmut Oschkinat and \{Van Rossum\}, \{Barth Jan\} and Shimon Vega",

year = "2011",

month = apr,

day = "1",

doi = "10.1016/j.jmr.2011.01.015",

language = "English",

volume = "209",

pages = "207--219",

journal = "Journal of Magnetic Resonance",

issn = "1090-7807",

publisher = "Academic Press Inc.",

number = "2",

}

Radio frequency assisted homonuclear recoupling - A Floquet description of homonuclear recoupling via surrounding heteronuclei in fully protonated to fully deuterated systems. / Leskes, Michal; Akbey, Ümit; Oschkinat, Hartmut et al.
In: Journal of Magnetic Resonance, Vol. 209, No. 2, 01.04.2011, p. 207-219.

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

TY - JOUR

T1 - Radio frequency assisted homonuclear recoupling - A Floquet description of homonuclear recoupling via surrounding heteronuclei in fully protonated to fully deuterated systems

AU - Leskes, Michal

AU - Akbey, Ümit

AU - Oschkinat, Hartmut

AU - Van Rossum, Barth Jan

AU - Vega, Shimon

PY - 2011/4/1

Y1 - 2011/4/1

N2 - We present a Floquet theory approach for the analysis of homonuclear recoupling assisted by radio frequency (RF) irradiation of surrounding heteronuclear spins. This description covers a broad range of systems from fully protonated to deuterated proteins, focusing in detail on recoupling via protons and deuterons separately as well as simultaneously by the double nucleus enhanced recoupling (DONER) scheme. The theoretical description, supported by numerical simulations and compared to experimental results from a partially deuterated model compound, indicates that in perdeuterated systems setting the RF amplitude equal to the magic angle spinning (MAS) frequency is not necessarily optimal for recoupling via 1H and/or 2H nuclei and modified recoupling conditions are identified.

AB - We present a Floquet theory approach for the analysis of homonuclear recoupling assisted by radio frequency (RF) irradiation of surrounding heteronuclear spins. This description covers a broad range of systems from fully protonated to deuterated proteins, focusing in detail on recoupling via protons and deuterons separately as well as simultaneously by the double nucleus enhanced recoupling (DONER) scheme. The theoretical description, supported by numerical simulations and compared to experimental results from a partially deuterated model compound, indicates that in perdeuterated systems setting the RF amplitude equal to the magic angle spinning (MAS) frequency is not necessarily optimal for recoupling via 1H and/or 2H nuclei and modified recoupling conditions are identified.

KW - C-C recoupling

KW - DARR

KW - DONER

KW - Floquet theory

KW - MAS

KW - Perdeuterated proteins

KW - RAD

KW - Solid state NMR

U2 - 10.1016/j.jmr.2011.01.015

DO - 10.1016/j.jmr.2011.01.015

M3 - Journal article

C2 - 21316279

AN - SCOPUS:79953216314

SN - 1090-7807

VL - 209

SP - 207

EP - 219

JO - Journal of Magnetic Resonance

JF - Journal of Magnetic Resonance

IS - 2

ER -

Radio frequency assisted homonuclear recoupling - A Floquet description of homonuclear recoupling via surrounding heteronuclei in fully protonated to fully deuterated systems

Abstract

Keywords

Access to Document

Library access?

Fingerprint

Cite this