University of Hertfordshire

From the same journal

By the same authors

Accelerated metabolite identification by "Extraction-NMR"

Research output: Contribution to journalArticlepeer-review

Standard

Accelerated metabolite identification by "Extraction-NMR". / Gerhard, U.; Thomas, S.; Mortishire-Smith, R.

In: Journal of Pharmaceutical and Biomedical Analysis, Vol. 32, No. 3, 14.07.2003, p. 531-538.

Research output: Contribution to journalArticlepeer-review

Harvard

APA

Vancouver

Author

Gerhard, U. ; Thomas, S. ; Mortishire-Smith, R. / Accelerated metabolite identification by "Extraction-NMR". In: Journal of Pharmaceutical and Biomedical Analysis. 2003 ; Vol. 32, No. 3. pp. 531-538.

Bibtex

@article{c385dcbd8ea242bfa0c01f6992e75c42,
title = "Accelerated metabolite identification by {"}Extraction-NMR{"}",
abstract = "Examples of the use of extraction-NMR, an efficient and rapid method to obtain structural information on metabolites without prior separation, are described. Crude ethyl acetate extracts of in vitro microsomal incubations were analysed by NMR spectroscopy. The region downfield of 5.5 ppm in the proton spectra of these crude extracts was found to be essentially clear of endogenous resonances. As a consequence, sites of aromatic hydroxylation can often be determined without prior separation of the crude extracts. Sites of metabolism close to the aromatic region may also be accessible via two-dimensional (2D) homonuclear experiments (e.g. COSY, NOESY, TOCSY). One-dimensional (1D) and 2D fluorine experiments also can provide additional information on the structure of metabolites. Depending on the complexity of the aromatic region of the parent compound, signal overlap and the relative abundance of the individual components, extraction-NMR has the potential to provide information for unambiguous structure elucidation of two or three major metabolites. Should extraction-NMR produce inconclusive results, i.e. too many metabolites are present or metabolism occurred exclusively on aliphatic regions, it is possible to re-use the extraction-NMR sample and proceed with traditional methods of analysis.",
author = "U. Gerhard and S. Thomas and R. Mortishire-Smith",
note = "Copyright 2008 Elsevier B.V., All rights reserved.",
year = "2003",
month = jul,
day = "14",
doi = "10.1016/S0731-7085(03)00218-8",
language = "English",
volume = "32",
pages = "531--538",
journal = "Journal of Pharmaceutical and Biomedical Analysis",
issn = "0731-7085",
publisher = "Elsevier",
number = "3",

}

RIS

TY - JOUR

T1 - Accelerated metabolite identification by "Extraction-NMR"

AU - Gerhard, U.

AU - Thomas, S.

AU - Mortishire-Smith, R.

N1 - Copyright 2008 Elsevier B.V., All rights reserved.

PY - 2003/7/14

Y1 - 2003/7/14

N2 - Examples of the use of extraction-NMR, an efficient and rapid method to obtain structural information on metabolites without prior separation, are described. Crude ethyl acetate extracts of in vitro microsomal incubations were analysed by NMR spectroscopy. The region downfield of 5.5 ppm in the proton spectra of these crude extracts was found to be essentially clear of endogenous resonances. As a consequence, sites of aromatic hydroxylation can often be determined without prior separation of the crude extracts. Sites of metabolism close to the aromatic region may also be accessible via two-dimensional (2D) homonuclear experiments (e.g. COSY, NOESY, TOCSY). One-dimensional (1D) and 2D fluorine experiments also can provide additional information on the structure of metabolites. Depending on the complexity of the aromatic region of the parent compound, signal overlap and the relative abundance of the individual components, extraction-NMR has the potential to provide information for unambiguous structure elucidation of two or three major metabolites. Should extraction-NMR produce inconclusive results, i.e. too many metabolites are present or metabolism occurred exclusively on aliphatic regions, it is possible to re-use the extraction-NMR sample and proceed with traditional methods of analysis.

AB - Examples of the use of extraction-NMR, an efficient and rapid method to obtain structural information on metabolites without prior separation, are described. Crude ethyl acetate extracts of in vitro microsomal incubations were analysed by NMR spectroscopy. The region downfield of 5.5 ppm in the proton spectra of these crude extracts was found to be essentially clear of endogenous resonances. As a consequence, sites of aromatic hydroxylation can often be determined without prior separation of the crude extracts. Sites of metabolism close to the aromatic region may also be accessible via two-dimensional (2D) homonuclear experiments (e.g. COSY, NOESY, TOCSY). One-dimensional (1D) and 2D fluorine experiments also can provide additional information on the structure of metabolites. Depending on the complexity of the aromatic region of the parent compound, signal overlap and the relative abundance of the individual components, extraction-NMR has the potential to provide information for unambiguous structure elucidation of two or three major metabolites. Should extraction-NMR produce inconclusive results, i.e. too many metabolites are present or metabolism occurred exclusively on aliphatic regions, it is possible to re-use the extraction-NMR sample and proceed with traditional methods of analysis.

UR - http://www.scopus.com/inward/record.url?scp=0142186274&partnerID=8YFLogxK

U2 - 10.1016/S0731-7085(03)00218-8

DO - 10.1016/S0731-7085(03)00218-8

M3 - Article

AN - SCOPUS:0142186274

VL - 32

SP - 531

EP - 538

JO - Journal of Pharmaceutical and Biomedical Analysis

JF - Journal of Pharmaceutical and Biomedical Analysis

SN - 0731-7085

IS - 3

ER -