Improvements in complex mixture analysis by NMR: DQF-COSY iDOSY

Jacob M. Newman, Alexej Jerschow

Research output: Contribution to journalArticle

Abstract

Diffusion-ordered NMR spectroscopy (DOSY NMR) is a highly useful tool for the study of complex mixtures via NMR. Often, spectral overlap limits the ability of obtaining cleanly separated subspectra of the components due to inherently instable multiexponential fits or data inversion procedures. Three-dimensional DOSY variants offer the advantage of separating individual peaks in an additional dimension, such that robust monoexponential fits to cross-peaks may be used to determine the diffusion coefficients with higher accuracy. For sensitivity reasons, methods based on proton nuclei are preferable. We show that a double-quantum-filtered COSY-DOSY experiment provides advantages over COSY-DOSY, while high signal-to-noise ratios are maintained. We demonstrate the viability of the technique by applying it to a solution of single-stranded DNA oligomers and to a mixture of unprocessed beeswax and decanol.

Original languageEnglish (US)
Pages (from-to)2957-2960
Number of pages4
JournalAnalytical Chemistry
Volume79
Issue number7
DOIs
StatePublished - Apr 1 2007

Fingerprint

Complex Mixtures
Nuclear magnetic resonance
Single-Stranded DNA
Oligomers
Nuclear magnetic resonance spectroscopy
Protons
Signal to noise ratio
Experiments
beeswax

ASJC Scopus subject areas

  • Analytical Chemistry

Cite this

Improvements in complex mixture analysis by NMR : DQF-COSY iDOSY. / Newman, Jacob M.; Jerschow, Alexej.

In: Analytical Chemistry, Vol. 79, No. 7, 01.04.2007, p. 2957-2960.

Research output: Contribution to journalArticle

@article{8ef35a218f2f4c38b08b61062b313054,
title = "Improvements in complex mixture analysis by NMR: DQF-COSY iDOSY",
abstract = "Diffusion-ordered NMR spectroscopy (DOSY NMR) is a highly useful tool for the study of complex mixtures via NMR. Often, spectral overlap limits the ability of obtaining cleanly separated subspectra of the components due to inherently instable multiexponential fits or data inversion procedures. Three-dimensional DOSY variants offer the advantage of separating individual peaks in an additional dimension, such that robust monoexponential fits to cross-peaks may be used to determine the diffusion coefficients with higher accuracy. For sensitivity reasons, methods based on proton nuclei are preferable. We show that a double-quantum-filtered COSY-DOSY experiment provides advantages over COSY-DOSY, while high signal-to-noise ratios are maintained. We demonstrate the viability of the technique by applying it to a solution of single-stranded DNA oligomers and to a mixture of unprocessed beeswax and decanol.",
author = "Newman, {Jacob M.} and Alexej Jerschow",
year = "2007",
month = "4",
day = "1",
doi = "10.1021/ac061760g",
language = "English (US)",
volume = "79",
pages = "2957--2960",
journal = "Analytical Chemistry",
issn = "0003-2700",
publisher = "American Chemical Society",
number = "7",

}

TY - JOUR

T1 - Improvements in complex mixture analysis by NMR

T2 - DQF-COSY iDOSY

AU - Newman, Jacob M.

AU - Jerschow, Alexej

PY - 2007/4/1

Y1 - 2007/4/1

N2 - Diffusion-ordered NMR spectroscopy (DOSY NMR) is a highly useful tool for the study of complex mixtures via NMR. Often, spectral overlap limits the ability of obtaining cleanly separated subspectra of the components due to inherently instable multiexponential fits or data inversion procedures. Three-dimensional DOSY variants offer the advantage of separating individual peaks in an additional dimension, such that robust monoexponential fits to cross-peaks may be used to determine the diffusion coefficients with higher accuracy. For sensitivity reasons, methods based on proton nuclei are preferable. We show that a double-quantum-filtered COSY-DOSY experiment provides advantages over COSY-DOSY, while high signal-to-noise ratios are maintained. We demonstrate the viability of the technique by applying it to a solution of single-stranded DNA oligomers and to a mixture of unprocessed beeswax and decanol.

AB - Diffusion-ordered NMR spectroscopy (DOSY NMR) is a highly useful tool for the study of complex mixtures via NMR. Often, spectral overlap limits the ability of obtaining cleanly separated subspectra of the components due to inherently instable multiexponential fits or data inversion procedures. Three-dimensional DOSY variants offer the advantage of separating individual peaks in an additional dimension, such that robust monoexponential fits to cross-peaks may be used to determine the diffusion coefficients with higher accuracy. For sensitivity reasons, methods based on proton nuclei are preferable. We show that a double-quantum-filtered COSY-DOSY experiment provides advantages over COSY-DOSY, while high signal-to-noise ratios are maintained. We demonstrate the viability of the technique by applying it to a solution of single-stranded DNA oligomers and to a mixture of unprocessed beeswax and decanol.

UR - http://www.scopus.com/inward/record.url?scp=34247148523&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=34247148523&partnerID=8YFLogxK

U2 - 10.1021/ac061760g

DO - 10.1021/ac061760g

M3 - Article

VL - 79

SP - 2957

EP - 2960

JO - Analytical Chemistry

JF - Analytical Chemistry

SN - 0003-2700

IS - 7

ER -