Development of a robust and repeatable UPLC-MS method for the long-term metabolomic study of human serum

Eva Zelena; Warwick B Dunn; David Broadhurst; Sue Francis-McIntyre; Kathleen M Carroll; Paul Begley; Steve O'Hagan; Joshua D Knowles; Antony Halsall; Ian D Wilson; Douglas B Kell; Human Serum Metabolome (HUSERMET) Consortium

doi:10.1021/ac8019366

Development of a robust and repeatable UPLC-MS method for the long-term metabolomic study of human serum

Eva Zelena, Warwick B Dunn, David Broadhurst, Sue Francis-McIntyre, Kathleen M Carroll, Paul Begley, Steve O'Hagan, Joshua D Knowles, Antony Halsall, Ian D Wilson, Douglas B Kell, Human Serum Metabolome (HUSERMET) Consortium

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Abstract

A method for performing untargeted metabolomic analysis of human serum has been developed based on protein precipitation followed by Ultra Performance Liquid Chromatography and Time-of-Flight mass spectrometry (UPLC-TOF-MS). This method was specifically designed to fulfill the requirements of a long-term metabolomic study, spanning more than 3 years, and it was subsequently thoroughly evaluated for robustness and repeatability. We describe here the observed drift in instrumental performance over time and its improvement with adjustment of the length of analytical block. The optimal setup for our purpose was further validated against a set of serum samples from 30 healthy individuals. We also assessed the reproducibility of chromatographic columns with the same chemistry of stationary phase from the same manufacturer but from different production batches. The results have allowed the authors to prepare SOPs for "fit for purpose" long-term UPLC-MS metabolomic studies, such as are being employed in the HUSERMET project. This method allows the acquisition of data and subsequent comparison of data collected across many months or years.

Original language	English
Pages (from-to)	1357-1364
Number of pages	8
Journal	Analytical Chemistry
Volume	81
Issue number	4
DOIs	https://doi.org/10.1021/ac8019366
Publication status	Published - 15 Feb 2009

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Zelena, E., Dunn, W. B., Broadhurst, D., Francis-McIntyre, S., Carroll, K. M., Begley, P., O'Hagan, S., Knowles, J. D., Halsall, A., Wilson, I. D., Kell, D. B., & Human Serum Metabolome (HUSERMET) Consortium (2009). Development of a robust and repeatable UPLC-MS method for the long-term metabolomic study of human serum. Analytical Chemistry, 81(4), 1357-1364. https://doi.org/10.1021/ac8019366

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title = "Development of a robust and repeatable UPLC-MS method for the long-term metabolomic study of human serum",

abstract = "A method for performing untargeted metabolomic analysis of human serum has been developed based on protein precipitation followed by Ultra Performance Liquid Chromatography and Time-of-Flight mass spectrometry (UPLC-TOF-MS). This method was specifically designed to fulfill the requirements of a long-term metabolomic study, spanning more than 3 years, and it was subsequently thoroughly evaluated for robustness and repeatability. We describe here the observed drift in instrumental performance over time and its improvement with adjustment of the length of analytical block. The optimal setup for our purpose was further validated against a set of serum samples from 30 healthy individuals. We also assessed the reproducibility of chromatographic columns with the same chemistry of stationary phase from the same manufacturer but from different production batches. The results have allowed the authors to prepare SOPs for {"}fit for purpose{"} long-term UPLC-MS metabolomic studies, such as are being employed in the HUSERMET project. This method allows the acquisition of data and subsequent comparison of data collected across many months or years.",

author = "Eva Zelena and Dunn, {Warwick B} and David Broadhurst and Sue Francis-McIntyre and Carroll, {Kathleen M} and Paul Begley and Steve O'Hagan and Knowles, {Joshua D} and Antony Halsall and Wilson, {Ian D} and Kell, {Douglas B} and {Human Serum Metabolome (HUSERMET) Consortium}",

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Zelena, E, Dunn, WB, Broadhurst, D, Francis-McIntyre, S, Carroll, KM, Begley, P, O'Hagan, S, Knowles, JD, Halsall, A, Wilson, ID, Kell, DB & Human Serum Metabolome (HUSERMET) Consortium 2009, 'Development of a robust and repeatable UPLC-MS method for the long-term metabolomic study of human serum', Analytical Chemistry, vol. 81, no. 4, pp. 1357-1364. https://doi.org/10.1021/ac8019366

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T1 - Development of a robust and repeatable UPLC-MS method for the long-term metabolomic study of human serum

AU - Zelena, Eva

AU - Dunn, Warwick B

AU - Broadhurst, David

AU - Francis-McIntyre, Sue

AU - Carroll, Kathleen M

AU - Begley, Paul

AU - O'Hagan, Steve

AU - Knowles, Joshua D

AU - Halsall, Antony

AU - Wilson, Ian D

AU - Kell, Douglas B

AU - Human Serum Metabolome (HUSERMET) Consortium

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N2 - A method for performing untargeted metabolomic analysis of human serum has been developed based on protein precipitation followed by Ultra Performance Liquid Chromatography and Time-of-Flight mass spectrometry (UPLC-TOF-MS). This method was specifically designed to fulfill the requirements of a long-term metabolomic study, spanning more than 3 years, and it was subsequently thoroughly evaluated for robustness and repeatability. We describe here the observed drift in instrumental performance over time and its improvement with adjustment of the length of analytical block. The optimal setup for our purpose was further validated against a set of serum samples from 30 healthy individuals. We also assessed the reproducibility of chromatographic columns with the same chemistry of stationary phase from the same manufacturer but from different production batches. The results have allowed the authors to prepare SOPs for "fit for purpose" long-term UPLC-MS metabolomic studies, such as are being employed in the HUSERMET project. This method allows the acquisition of data and subsequent comparison of data collected across many months or years.

AB - A method for performing untargeted metabolomic analysis of human serum has been developed based on protein precipitation followed by Ultra Performance Liquid Chromatography and Time-of-Flight mass spectrometry (UPLC-TOF-MS). This method was specifically designed to fulfill the requirements of a long-term metabolomic study, spanning more than 3 years, and it was subsequently thoroughly evaluated for robustness and repeatability. We describe here the observed drift in instrumental performance over time and its improvement with adjustment of the length of analytical block. The optimal setup for our purpose was further validated against a set of serum samples from 30 healthy individuals. We also assessed the reproducibility of chromatographic columns with the same chemistry of stationary phase from the same manufacturer but from different production batches. The results have allowed the authors to prepare SOPs for "fit for purpose" long-term UPLC-MS metabolomic studies, such as are being employed in the HUSERMET project. This method allows the acquisition of data and subsequent comparison of data collected across many months or years.

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JO - Analytical Chemistry

JF - Analytical Chemistry

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ER -

Development of a robust and repeatable UPLC-MS method for the long-term metabolomic study of human serum

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