Extending long-range heteronuclear NMR connectivities by HSQMBC-COSY and HSQMBC-TOCSY experiments

Josep Saurí; Núria Marcó; R. Thomas Williamson; Gary E. Martin; Teodor Parella

doi:10.1016/j.jmr.2015.06.004

Extending long-range heteronuclear NMR connectivities by HSQMBC-COSY and HSQMBC-TOCSY experiments

Josep Saurí, Núria Marcó, R. Thomas Williamson, Gary E. Martin, Teodor Parella

Servei de Ressonància Magnètica Nuclear (SeRMN)

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© 2015 Elsevier Inc. Abstract The detection of long-range heteronuclear correlations presenting J(CH) coupling values smaller than 1-2 Hz is a challenge in the structural analysis of small molecules and natural products. HSQMBC-COSY and HSQMBC-TOCSY pulse schemes are evaluated as complementary NMR methods to standard HMBC/HSQMBC experiments. Incorporation of an additional J(HH) transfer step in the basic HSQMBC pulse scheme can favor the sensitive observation of traditionally missing or very weak correlations and, in addition, facilitates the detection of a significant number of still longer-range connectivities to both protonated and non-protonated carbons under optimum sensitivity conditions. A comparative ¹H-¹³C study is performed using strychnine as a model compound and several examples are also provided including ¹H-¹⁵N applications.

Idioma original	Anglès
Número d’article	5663
Pàgines (de-a)	25-32
Revista	Journal of Magnetic Resonance
Volum	258
DOIs	https://doi.org/10.1016/j.jmr.2015.06.004
Estat de la publicació	Publicada - 8 de jul. 2015

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10.1016/j.jmr.2015.06.004

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@article{306d8794bfcd4abeb476e6062db6b163,

title = "Extending long-range heteronuclear NMR connectivities by HSQMBC-COSY and HSQMBC-TOCSY experiments",

abstract = "{\textcopyright} 2015 Elsevier Inc. Abstract The detection of long-range heteronuclear correlations presenting J(CH) coupling values smaller than 1-2 Hz is a challenge in the structural analysis of small molecules and natural products. HSQMBC-COSY and HSQMBC-TOCSY pulse schemes are evaluated as complementary NMR methods to standard HMBC/HSQMBC experiments. Incorporation of an additional J(HH) transfer step in the basic HSQMBC pulse scheme can favor the sensitive observation of traditionally missing or very weak correlations and, in addition, facilitates the detection of a significant number of still longer-range connectivities to both protonated and non-protonated carbons under optimum sensitivity conditions. A comparative 1H-13C study is performed using strychnine as a model compound and several examples are also provided including 1H-15N applications.",

keywords = "Heteronuclear coupling constants, HSQC-TOCSY, HSQMBC, HSQMBC-COSY, HSQMBC-TOCSY, Long-range correlations, LR-HSQMBC",

author = "Josep Saur{\'i} and N{\'u}ria Marc{\'o} and Williamson, {R. Thomas} and Martin, {Gary E.} and Teodor Parella",

year = "2015",

month = jul,

day = "8",

doi = "10.1016/j.jmr.2015.06.004",

language = "English",

volume = "258",

pages = "25--32",

}

TY - JOUR

T1 - Extending long-range heteronuclear NMR connectivities by HSQMBC-COSY and HSQMBC-TOCSY experiments

AU - Saurí, Josep

AU - Marcó, Núria

AU - Williamson, R. Thomas

AU - Martin, Gary E.

AU - Parella, Teodor

PY - 2015/7/8

Y1 - 2015/7/8

N2 - © 2015 Elsevier Inc. Abstract The detection of long-range heteronuclear correlations presenting J(CH) coupling values smaller than 1-2 Hz is a challenge in the structural analysis of small molecules and natural products. HSQMBC-COSY and HSQMBC-TOCSY pulse schemes are evaluated as complementary NMR methods to standard HMBC/HSQMBC experiments. Incorporation of an additional J(HH) transfer step in the basic HSQMBC pulse scheme can favor the sensitive observation of traditionally missing or very weak correlations and, in addition, facilitates the detection of a significant number of still longer-range connectivities to both protonated and non-protonated carbons under optimum sensitivity conditions. A comparative 1H-13C study is performed using strychnine as a model compound and several examples are also provided including 1H-15N applications.

AB - © 2015 Elsevier Inc. Abstract The detection of long-range heteronuclear correlations presenting J(CH) coupling values smaller than 1-2 Hz is a challenge in the structural analysis of small molecules and natural products. HSQMBC-COSY and HSQMBC-TOCSY pulse schemes are evaluated as complementary NMR methods to standard HMBC/HSQMBC experiments. Incorporation of an additional J(HH) transfer step in the basic HSQMBC pulse scheme can favor the sensitive observation of traditionally missing or very weak correlations and, in addition, facilitates the detection of a significant number of still longer-range connectivities to both protonated and non-protonated carbons under optimum sensitivity conditions. A comparative 1H-13C study is performed using strychnine as a model compound and several examples are also provided including 1H-15N applications.

KW - Heteronuclear coupling constants

KW - HSQC-TOCSY

KW - HSQMBC

KW - HSQMBC-COSY

KW - HSQMBC-TOCSY

KW - Long-range correlations

KW - LR-HSQMBC

U2 - 10.1016/j.jmr.2015.06.004

DO - 10.1016/j.jmr.2015.06.004

M3 - Article

SN - 1090-7807

VL - 258

SP - 25

EP - 32

JO - Journal of Magnetic Resonance

JF - Journal of Magnetic Resonance

M1 - 5663

ER -

Extending long-range heteronuclear NMR connectivities by HSQMBC-COSY and HSQMBC-TOCSY experiments

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