Pulse design for broadband correlation NMR spectroscopy by multi-rotating frames

Paul Coote, Haribabu Arthanari, Tsyr Yan Yu, Amarnath Natarajan, Gerhard Wagner, Navin Khaneja

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

We present a method for designing radio-frequency (RF) pulses for broadband or multi-band isotropic mixing at low power, suitable for protein NMR spectroscopy. These mixing pulses are designed analytically, rather than by numerical optimization, by repeatedly constructing new rotating frames of reference. We show how pulse parameters can be chosen frame-by-frame to systematically reduce the effective chemical shift bandwidth, but maintain most of the effective J-coupling strength. The effective Hartmann-Hahn mixing condition is then satisfied in a multi-rotating frame of reference. This design method yields multi-band and broadband mixing pulses at low RF power. In particular, the ratio of RF power to mixing bandwidth for these pulses is lower than for existing mixing pulses, such as DIPSI and FLOPSY. Carbon-carbon TOCSY experiments at low RF power support our theoretical analysis.

Original languageEnglish (US)
Pages (from-to)291-302
Number of pages12
JournalJournal of Biomolecular NMR
Volume55
Issue number3
DOIs
StatePublished - Mar 1 2013

Fingerprint

Radio
Nuclear magnetic resonance spectroscopy
Magnetic Resonance Spectroscopy
Carbon
Biomolecular Nuclear Magnetic Resonance
Bandwidth
Chemical shift
Proteins
Experiments

Keywords

  • HOHAHA
  • Isotropic mixing
  • NMR
  • Pulse design
  • TOCSY

ASJC Scopus subject areas

  • Biochemistry
  • Spectroscopy

Cite this

Pulse design for broadband correlation NMR spectroscopy by multi-rotating frames. / Coote, Paul; Arthanari, Haribabu; Yu, Tsyr Yan; Natarajan, Amarnath; Wagner, Gerhard; Khaneja, Navin.

In: Journal of Biomolecular NMR, Vol. 55, No. 3, 01.03.2013, p. 291-302.

Research output: Contribution to journalArticle

Coote, Paul ; Arthanari, Haribabu ; Yu, Tsyr Yan ; Natarajan, Amarnath ; Wagner, Gerhard ; Khaneja, Navin. / Pulse design for broadband correlation NMR spectroscopy by multi-rotating frames. In: Journal of Biomolecular NMR. 2013 ; Vol. 55, No. 3. pp. 291-302.
@article{69d2809e2cfa4e3ba7c3782d1560d83b,
title = "Pulse design for broadband correlation NMR spectroscopy by multi-rotating frames",
abstract = "We present a method for designing radio-frequency (RF) pulses for broadband or multi-band isotropic mixing at low power, suitable for protein NMR spectroscopy. These mixing pulses are designed analytically, rather than by numerical optimization, by repeatedly constructing new rotating frames of reference. We show how pulse parameters can be chosen frame-by-frame to systematically reduce the effective chemical shift bandwidth, but maintain most of the effective J-coupling strength. The effective Hartmann-Hahn mixing condition is then satisfied in a multi-rotating frame of reference. This design method yields multi-band and broadband mixing pulses at low RF power. In particular, the ratio of RF power to mixing bandwidth for these pulses is lower than for existing mixing pulses, such as DIPSI and FLOPSY. Carbon-carbon TOCSY experiments at low RF power support our theoretical analysis.",
keywords = "HOHAHA, Isotropic mixing, NMR, Pulse design, TOCSY",
author = "Paul Coote and Haribabu Arthanari and Yu, {Tsyr Yan} and Amarnath Natarajan and Gerhard Wagner and Navin Khaneja",
year = "2013",
month = "3",
day = "1",
doi = "10.1007/s10858-013-9714-1",
language = "English (US)",
volume = "55",
pages = "291--302",
journal = "Journal of Biomolecular NMR",
issn = "0925-2738",
publisher = "Springer Netherlands",
number = "3",

}

TY - JOUR

T1 - Pulse design for broadband correlation NMR spectroscopy by multi-rotating frames

AU - Coote, Paul

AU - Arthanari, Haribabu

AU - Yu, Tsyr Yan

AU - Natarajan, Amarnath

AU - Wagner, Gerhard

AU - Khaneja, Navin

PY - 2013/3/1

Y1 - 2013/3/1

N2 - We present a method for designing radio-frequency (RF) pulses for broadband or multi-band isotropic mixing at low power, suitable for protein NMR spectroscopy. These mixing pulses are designed analytically, rather than by numerical optimization, by repeatedly constructing new rotating frames of reference. We show how pulse parameters can be chosen frame-by-frame to systematically reduce the effective chemical shift bandwidth, but maintain most of the effective J-coupling strength. The effective Hartmann-Hahn mixing condition is then satisfied in a multi-rotating frame of reference. This design method yields multi-band and broadband mixing pulses at low RF power. In particular, the ratio of RF power to mixing bandwidth for these pulses is lower than for existing mixing pulses, such as DIPSI and FLOPSY. Carbon-carbon TOCSY experiments at low RF power support our theoretical analysis.

AB - We present a method for designing radio-frequency (RF) pulses for broadband or multi-band isotropic mixing at low power, suitable for protein NMR spectroscopy. These mixing pulses are designed analytically, rather than by numerical optimization, by repeatedly constructing new rotating frames of reference. We show how pulse parameters can be chosen frame-by-frame to systematically reduce the effective chemical shift bandwidth, but maintain most of the effective J-coupling strength. The effective Hartmann-Hahn mixing condition is then satisfied in a multi-rotating frame of reference. This design method yields multi-band and broadband mixing pulses at low RF power. In particular, the ratio of RF power to mixing bandwidth for these pulses is lower than for existing mixing pulses, such as DIPSI and FLOPSY. Carbon-carbon TOCSY experiments at low RF power support our theoretical analysis.

KW - HOHAHA

KW - Isotropic mixing

KW - NMR

KW - Pulse design

KW - TOCSY

UR - http://www.scopus.com/inward/record.url?scp=84877923683&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84877923683&partnerID=8YFLogxK

U2 - 10.1007/s10858-013-9714-1

DO - 10.1007/s10858-013-9714-1

M3 - Article

C2 - 23420125

AN - SCOPUS:84877923683

VL - 55

SP - 291

EP - 302

JO - Journal of Biomolecular NMR

JF - Journal of Biomolecular NMR

SN - 0925-2738

IS - 3

ER -