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

Josep Sauri; Nuria Marco; 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 Sauri, Nuria Marco, R. Thomas Williamson, Gary E. Martin, Teodor Parella

Producció científica: Article en revista indexada › Article › Avaluat per experts

20 Citacions (Web of Science)

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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/FISQMBC 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 H-1-C-13 study is performed using strychnine as a model compound and several examples are also provided including H-1-N-15 applications. (C) 2015 Elsevier Inc. All rights reserved.

Idioma original	Anglès
Pàgines (de-a)	25-32
Nombre de pàgines	8
Revista	Journal of Magnetic Resonance
Volum	258
DOIs	https://doi.org/10.1016/j.jmr.2015.06.004
Estat de la publicació	Publicada - de set. 2015
Publicat externament	Sí

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10.1016/j.jmr.2015.06.004

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@article{67a93a2d24fa42f682b11e86dc2b4e34,

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

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/FISQMBC 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 H-1-C-13 study is performed using strychnine as a model compound and several examples are also provided including H-1-N-15 applications. (C) 2015 Elsevier Inc. All rights reserved.",

keywords = "Hsqc-tocsy, Hsqmbc, Hsqmbc-cosy, Hsqmbc-tocsy, Heteronuclear coupling constants, Lr-hsqmbc, Long-range correlations",

author = "Josep Sauri and Nuria Marco and Williamson, {R. Thomas} and Martin, {Gary E.} and Teodor Parella",

year = "2015",

month = sep,

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

language = "English",

volume = "258",

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journal = "Journal of Magnetic Resonance",

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AU - Sauri, Josep

AU - Marco, Nuria

AU - Williamson, R. Thomas

AU - Martin, Gary E.

AU - Parella, Teodor

PY - 2015/9

Y1 - 2015/9

N2 - 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/FISQMBC 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 H-1-C-13 study is performed using strychnine as a model compound and several examples are also provided including H-1-N-15 applications. (C) 2015 Elsevier Inc. All rights reserved.

AB - 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/FISQMBC 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 H-1-C-13 study is performed using strychnine as a model compound and several examples are also provided including H-1-N-15 applications. (C) 2015 Elsevier Inc. All rights reserved.

KW - Hsqc-tocsy

KW - Hsqmbc

KW - Hsqmbc-cosy

KW - Hsqmbc-tocsy

KW - Heteronuclear coupling constants

KW - Lr-hsqmbc

KW - Long-range correlations

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DO - 10.1016/j.jmr.2015.06.004

M3 - Article

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SN - 1090-7807

VL - 258

SP - 25

EP - 32

JO - Journal of Magnetic Resonance

JF - Journal of Magnetic Resonance

ER -

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

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