Optimization of Data Acquisition and Sample Preparation Methods for LC-MS Urine Metabolomic Analysis

Robert Skibiński 1  and Łukasz Komsta 1
  • 1 Department of Medicinal Chemistry, Pharmaceutical Faculty, Medical University of Lublin, Jaczewskiego 4, 20-090 Lublin, Poland

Abstract

Nowadays, chromatographic methods coupled with mass spectrometry are the most commonly used tools in metabolomics studies. These methods are currently being developed and various techniques and strategies are proposed for the profiling analysis of biological samples. However, the most important thing used to maximize the number of entities in the recorded profiles is the optimization of sample preparation procedure and the data acquisition method. Therefore, ultra high performance liquid chromatography coupled with accurate quadrupoletime- of-flight (Q-TOF) mass spectrometry was used for the comparison of urine metabolomic profiles obtained by the use of various spectral data acquisition methods. The most often used method of registration of metabolomics data acquisition – TOF (MS) was compared with the fast polarity switching MS and auto MS/MS methods with the use of multivariate chemometric analysis (PCA). In all the cases both ionization mode (positive and negative) were studied and the number of the identified compounds was compared. Additionally, various urine sample preparation procedures were tested and it was found that the addition of organic solvents to the sample noticeably reduces the number of entities in the registered profiles. It was also noticed that the auto MS/MS method is the least efficient way to register metabolomic profiles.

If the inline PDF is not rendering correctly, you can download the PDF file here.

  • [1] Louhichi B., Bensalah N., Comparative study of the treatment of printing ink wastewater by conductive–diamond electrochemical oxidation, Fenton process, and ozonation, Sustain. Environ. Res, 2014, 24, 49–58

  • [2] Zhang G.J., Liu Z.Z., Song L.F., Hu J.Y., Ong S.L, Ng W.J, Post– treatment of banknote printing works wastewater ultrafiltration concentrate, Water Res., 2004, 38, 3587–3595

  • [3] Saint Amand F.J., Hydrodynamics of deinking flotation, Int. J. Min. Proc., 1999, 56, 277–316

  • [4] Viesturs U., Leite M., Eisimonte M., Eremeeva T., Treimanis A., Biological deinking technology for the recycling of office waste papers, Bioresource Technol., 1999, 67, 255–265

  • [5] Ma X.J., Xia H.L., Treatment of water–based printing ink wastewater by Fenton process combined with coagulation, J. Hazard. Mater., 2009, 162, 386–390

  • [6] Wang L., Li J., Wang Y., Zhao L., Jiang Q., Adsorption capability for Congo red on nanocrystalline MFe2O4 (M = Mn, Fe, Co, Ni) spinel ferrites, Chem. Eng. J., 2012, 181–182, 72–79

  • [7] Iram M., Guo C., Guan Y., Ishfaq A., Liu H., Adsorption and magnetic removal of neutral red dye from aqueous solution using Fe3O4 hollow nanospheres, J. Hazard. Mater., 2010, 181, 1039–1050

  • [8] Wu J.S., Liu C.H., Chu K.H., Suen S.Y., Removal of cationic dye methyl violet 2B from water by cation exchange membranes, J. Membrane Sci., 2008, 309, 239–245

  • [9] Vîrlan C., Ciocârlan R. G., Roman T., Gherca D., Cornei N., Pui A., Studies on adsorption capacity of cationic dyes on several magnetic nanoparticles, Acta Chemica Iasi, 2013, 21, 19–30

  • [10] Metes A., Koprivanac N., Glasnovic A., Flocculation as a treatment method for printing ink wastewater, Water Environ. Res., 2000, 72, 680–688

  • [11] Nandy T., Shastry S., Pathe P.P., Kaul S.N., Pre–treatment of currency printing ink wastewater through coagulation– flocculation process, Water Air and Soil Pollution, 2003, 148, 15–30

  • [12] Roussy J., Chastellan P., Vooren M. van, Guibal E., Treatment of ink–containing wastewater by coagulation/flocculation using biopolymers, Water SA, 2005, 31, 369–376

OPEN ACCESS

Journal + Issues

Open Chemistry is a peer-reviewed, open access journal that publishes original research, reviews and short communications in the fields of chemistry in an ongoing way. Our central goal is to provide a hub for researchers working across all subjects to present their discoveries, and to be a forum for the discussion of the important issues in the field.

Search