Development of Zwitterionic Hydrophilic Liquid Chromatography (ZICⓇHILIC-MS) metabolomics method for Shotgun analysis of human urine

Article

Trivedi, D., Jones, H., Shah, A. and Iles, R. 2012. Development of Zwitterionic Hydrophilic Liquid Chromatography (ZICⓇHILIC-MS) metabolomics method for Shotgun analysis of human urine. Journal of Chromatography & Separation Techniques. 03 (06). https://doi.org/10.4172/2157-7064.1000144
TypeArticle
TitleDevelopment of Zwitterionic Hydrophilic Liquid Chromatography (ZICⓇHILIC-MS) metabolomics method for Shotgun analysis of human urine
AuthorsTrivedi, D., Jones, H., Shah, A. and Iles, R.
Abstract

Urine is a product of the body’s metabolism and the majority of the metabolic products exiting via the renal system are rendered polar in order to be water soluble. Resolution of urinary metabolites for metabolomic studies requires the development of HPLC separation techniques that match this feature of biological chemistry. ZIC –HILIC is an ideal candidate to take forward resolution of such metabolites where reverse phase is unable to give adequate separation. Metabolomic data has to be processed by Shotgun multivariate analysis to sift through thousands of analytes and their variables such as ion intensity.
In the development of ZIC-HILIC separation with mass spectrometric (IT-ToF) detection, methodological variability have to be minimized so that any Shotgun data analysis does not reveal potential biomarker analytes that are artifacts or are adversely affected of the separation and detection technique. Here, we report the development of a ZIC-HILIC mass spectrometry method that is suitable for SIMCA P+ data analysis of urine. Variables such as resolution, run reproducibility and sample storage temperature were evaluated in tandem with SIMCA P+ data analysis and quality control pre-processing.
The developed method couples quality control runs that pre-process and exclude analytes that are insufficiently robust for further candidate biomarker studies. This meant labile analytes that could not be reproduced in 70% of QC runs (which are pools of all samples run that day) were excluded. However, urine samples stored at 4°C for more than 9 months will contain metabolites that will alter and produce small molecule marker artifacts when compared to samples stored at -20°C.
In conclusion, the developed method is a robust method of ZIC-HILIC mass spectrometry shotgun analysis suitable for urinary metabolome discovery of robust biomarkers.

KeywordsUrinary metabolomics; ZIC HILIC-MS; Method development; Shotgun analysis
Research GroupBiomarkers for Cancer group
Reproductive Biology group
PublisherOMICS Publishing Group
JournalJournal of Chromatography & Separation Techniques
ISSN2155-7064
Publication dates
PrintOct 2012
Publication process dates
Deposited04 Jul 2013
Output statusPublished
Digital Object Identifier (DOI)https://doi.org/10.4172/2157-7064.1000144
LanguageEnglish
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Comparative gene expression profiling of ADAMs, MMPs, TIMPs,EMMPRIN, EGF-R and VEGFA in low grade meningioma
Rooprai, H., Martin, A., King, A., Appadu, U., Jones, H., Selway, R., Gullan, R. and Pilkington, G. 2016. Comparative gene expression profiling of ADAMs, MMPs, TIMPs,EMMPRIN, EGF-R and VEGFA in low grade meningioma. International Journal of Oncology. 49 (6), pp. 2309-2318. https://doi.org/10.3892/ijo.2016.3739
The mechanisms of detoxification of As(III), dimethylarsinic acid (DMA) and As(V) in the microalga Chlorella vulgaris
Pantoja Munoz, L., Purchase, D., Jones, H., Raab, A., Urgast, D., Feldmann, J. and Garelick, H. 2016. The mechanisms of detoxification of As(III), dimethylarsinic acid (DMA) and As(V) in the microalga Chlorella vulgaris. Aquatic Toxicology. 175, pp. 56-72. https://doi.org/10.1016/j.aquatox.2016.02.020
Sources and pathways for pharmaceuticals in the urban water environment
Tuckwell, R., Revitt, D., Garelick, H., Jones, H. and Ellis, J. 2011. Sources and pathways for pharmaceuticals in the urban water environment. 12th International Conference on Urban Drainage. Porto Alegre, Brazil 11 - 16 Sep 2011
Factors influencing the infiltration of pharmaceuticals through soils
Balogh, T., Revitt, D., Jones, H. and Lundy, L. 2011. Factors influencing the infiltration of pharmaceuticals through soils. 12th International Conference on Urban Drainage. Porto Alegre, Brazil 11 - 16 Sep 2011
Determination of urinary cortisol, cortisone and 6-sulfatoxymelatonin using dilute and shoot ultra-high pressure liquid chromatography-tandem mass spectrometry
Sniecinska-Cooper, A., Shah, A., Dimitriou, D., Iles, R., Butler, S. and Bayford, R. 2015. Determination of urinary cortisol, cortisone and 6-sulfatoxymelatonin using dilute and shoot ultra-high pressure liquid chromatography-tandem mass spectrometry. Journal of Chromatography B. 978-79, pp. 18-23. https://doi.org/10.1016/j.jchromb.2014.11.016
Abnormal secretion of melatonin and cortisol in relation to sleep disturbances in children with Williams syndrome
Sniecinska-Cooper, A., Iles, R., Butler, S., Jones, H., Bayford, R. and Dimitriou, D. 2015. Abnormal secretion of melatonin and cortisol in relation to sleep disturbances in children with Williams syndrome. Sleep Medicine. 16 (1), pp. 94-100. https://doi.org/10.1016/j.sleep.2014.09.003
Sorption behaviours and transport potentials for selected pharmaceuticals and triclosan in two sterilised soils
Revitt, D., Balogh, T. and Jones, H. 2015. Sorption behaviours and transport potentials for selected pharmaceuticals and triclosan in two sterilised soils. Journal of Soils and Sediments. 15 (3), pp. 594-606. https://doi.org/10.1007/s11368-014-1025-y
The role of vitamin In type 2 diabetes
Ali, A., Appiah, S., Shah, A. and Ghali, L. 2014. The role of vitamin In type 2 diabetes. Middlesex University Postgraduate Summer Conference. London, UK 19 Jun 2014
The mechanisms of arsenic bioremediation from water by the green microalgae Chlorella vulgaris
Pantoja Munoz, L., Purchase, D., Jones, H., Feldmann, J. and Garelick, H. 2014. The mechanisms of arsenic bioremediation from water by the green microalgae Chlorella vulgaris. THE BNASS / TraceSpec Tandem Conference. Aberdeen, Scotland, UK 31 Aug - 04 Sep 2014
Soil mobility of surface applied polyaromatic hydrocarbons in response to simulated rainfall
Revitt, D., Balogh, T. and Jones, H. 2014. Soil mobility of surface applied polyaromatic hydrocarbons in response to simulated rainfall. Environmental Science and Pollution Research. 21 (6), pp. 4209-4219. https://doi.org/10.1007/s11356-013-2231-7
Enhanced determination of As-phytochelatin complexes in Chlorella vulgaris using focused sonication for extraction of water-soluble species
Pantoja Munoz, L., Purchase, D., Jones, H., Feldmann, J. and Garelick, H. 2014. Enhanced determination of As-phytochelatin complexes in Chlorella vulgaris using focused sonication for extraction of water-soluble species. Analytical Methods. 6 (3), pp. 791-797. https://doi.org/10.1039/C3AY41629A
The removal of arsenate from water using iron-modified diatomite (D-Fe): isotherm and column experiments
Pantoja Munoz, L., Jones, H., Garelick, H., Mohamedbakr, H. and Burkitbayev, M. 2014. The removal of arsenate from water using iron-modified diatomite (D-Fe): isotherm and column experiments. Environmental Science and Pollution Research. 21 (1), pp. 495-506. https://doi.org/10.1007/s11356-013-1891-7
Chronic fluoxetine differentially modulates the hippocampal microtubular and serotonergic system in grouped and isolation reared rats
Bianchi, M., Fone, K., Shah, A., Atkins, A., Dawson, L., Heidbreder, C., Hagan, J. and Marsden, C. 2009. Chronic fluoxetine differentially modulates the hippocampal microtubular and serotonergic system in grouped and isolation reared rats. European Neuropsychopharmacology. 19 (11), pp. 778-790. https://doi.org/10.1016/j.euroneuro.2009.06.005
A high-performance liquid chromatography/tandem mass spectrometry assay for the simultaneous measurement of acetylcholine and clozapine in microdialysis samples
Shah, A. 2013. A high-performance liquid chromatography/tandem mass spectrometry assay for the simultaneous measurement of acetylcholine and clozapine in microdialysis samples. Journal of Chromatography A.
Fluoxetine administration modulates the cytoskeletal microtubular system in the rat hippocampus
Bianchi, M., Shah, A., Fone, K., Atkins, A., Dawson, L., Heidbreder, C., Hows, M., Hagan, J. and Marsden, C. 2009. Fluoxetine administration modulates the cytoskeletal microtubular system in the rat hippocampus. Synapse. 63 (4), pp. 359-364. https://doi.org/10.1002/syn.20614
Effects of N-acetylaspartylglutamate (NAAG) at group II mGluRs and NMDAR
Fricker, A., Mok, M., De la Flor, R., Shah, A., Woolley, M., Dawson, L. and Kew, J. 2009. Effects of N-acetylaspartylglutamate (NAAG) at group II mGluRs and NMDAR. Neuropharmacology. 56 (6-7), pp. 1060-1067. https://doi.org/10.1016/j.neuropharm.2009.03.002
Development and application of a liquid chromatography/tandem mass spectrometric assay for measurement of N-acetylaspartate, N-acetylaspartylglutamate and glutamate in brain slice superfusates and tissue extracts
Shah, A., De la Flor, R., Atkins, A., Slone-Murphy, J. and Dawson, L. 2008. Development and application of a liquid chromatography/tandem mass spectrometric assay for measurement of N-acetylaspartate, N-acetylaspartylglutamate and glutamate in brain slice superfusates and tissue extracts. Journal of Chromatography B. 876 (2), pp. 153-158. https://doi.org/10.1016/j.jchromb.2008.10.012
Technical note: effects of arsenate (AS5+) on growth and production of glutathione (GSH) and phytochelatins (PCS) in Chlorella Vulgaris
Jiang, Y., Purchase, D., Jones, H. and Garelick, H. 2011. Technical note: effects of arsenate (AS5+) on growth and production of glutathione (GSH) and phytochelatins (PCS) in Chlorella Vulgaris. International Journal of Phytoremediation. 13 (8), pp. 834-844. https://doi.org/10.1080/15226514.2010.525560
Remediation technologies for the removal of arsenic from water and wastewater
Garelick, H., Bollinger, J., Bux, K., Caussy, D., Dybowska, A., Ellis, J., Feldmann, J., Jones, H., Priest, N., Shevah, Y., Sneddon, R., Valsami-Jones, E. and Visoottiviseth, P. 2005. Remediation technologies for the removal of arsenic from water and wastewater. 43rd IUPAC General Assembly. Beijing, China 13 - 21 Aug 2005
Water and health. [Chapter 6 of 'Sustainable water: chemical science priorities summary report']
Green, C., Donner, E., Faulkner, H., Garelick, H., Jones, H., Revitt, D. and Lundy, L. 2007. Water and health. [Chapter 6 of 'Sustainable water: chemical science priorities summary report']. Royal Society of Chemistry.
Mitigating arsenic pollution: bridging the gap between knowledge and practice
Garelick, H. and Jones, H. 2008. Mitigating arsenic pollution: bridging the gap between knowledge and practice. Chemistry International. 30 (4).
The xenobiotic impact of sedimentary metals in an urban river
Adeyemi, A., Lundy, L., Revitt, D., Jones, H. and Faulkner, H. 2009. The xenobiotic impact of sedimentary metals in an urban river. International Conference on Xenobiotics in the Urban Water Cycle (Proceedings of). Paphos, Cyprus 11 - 13 Mar 2009
Constructed wetland control of BOD levels in airport runoff
Adeola, S., Revitt, D., Shutes, B., Garelick, H., Jones, H. and Jones, C. 2009. Constructed wetland control of BOD levels in airport runoff. International Journal of Phytoremediation. 11 (1), pp. 1-10. https://doi.org/10.1080/15226510802363220
Case Reports: Arsenic pollution in Thailand, Bangladesh and Hungary
Jones, H., Visoottiviseth, P., Bux, M., Földényi, R., Kováts, N., Borbély, G. and Galbács, Z. 2008. Case Reports: Arsenic pollution in Thailand, Bangladesh and Hungary. in: Garelick, H. and Jones, H. (ed.) Reviews of Environmental Contamination New York Springer.
Factors influencing subjective ranking of driver distractions
Patel, J., Ball, D. and Jones, H. 2008. Factors influencing subjective ranking of driver distractions. Accident Analysis & Prevention. 40 (1), pp. 392-395. https://doi.org/10.1016/j.aap.2007.07.006
Arsenic pollution sources
Garelick, H., Jones, H., Dybowska, A. and Valsami-Jones, E. 2008. Arsenic pollution sources. in: Garelick, H. and Jones, H. (ed.) Reviews of environmental contamination: international perspectives on arsenic pollution and remediation New York Springer.
An investigation of urban water and sediment ecotoxicity in relation to metal concentrations
Lundy, L., Mensah, R., Revitt, D. and Jones, H. 2007. An investigation of urban water and sediment ecotoxicity in relation to metal concentrations. Morrison, G. and Rauch, S. (ed.) 8th Highway and Urban Environment Symposium (8HUES). Nicosia, Cyprus 12 - 14 Jun 2006 Springer. pp. 359-370 https://doi.org/10.1007/978-1-4020-6010-6_32
Resistance to three antimicrobial agents of Campylobacter isolated from organically- and intensively-reared chickens purchased from retail outlets
Soonthornchaikul, N., Garelick, H., Jones, H., Jacobs, J., Ball, D. and Choudhury, M. 2006. Resistance to three antimicrobial agents of Campylobacter isolated from organically- and intensively-reared chickens purchased from retail outlets. International Journal of Antimicrobial Agents. 27 (2), pp. 125-130. https://doi.org/10.1016/j.ijantimicag.2005.09.020
The performance of vegetative treatment systems for highway runoff during dry and wet weather conditions
Revitt, D., Forshaw, M., Jones, H. and Shutes, B. 2004. The performance of vegetative treatment systems for highway runoff during dry and wet weather conditions. Science of the Total Environment. 334-335. https://doi.org/10.1016/j.scitotenv.2004.04.046
Practical experiences of the use of vegetated ponds for the treatment of highway runoff
Revitt, D., Shutes, B., Jones, H., Forshaw, M. and Winter, B. 2003. Practical experiences of the use of vegetated ponds for the treatment of highway runoff. Pratt, C., Davies, J., Newman, A. and Perry, J. (ed.) 2nd National UK Conference on Sustainable Drainage. Coventry, UK 23 - 24 Jun 2003 School of Science and the Environment, Coventry University. pp. 19-29