Quantification of molecules in 1H-NMR metabolomics with formate as a concentration standard

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  • Ando Itiro
    Planning for Drug Development and Clinical Evaluation, Tohoku University Graduate School of Pharmaceutical Sciences Biomedicinal Information Research Center, AIST
  • Hirose Takuo
    Planning for Drug Development and Clinical Evaluation, Tohoku University Graduate School of Pharmaceutical Sciences
  • Nemoto Tadashi
    Biomedicinal Information Research Center, AIST
  • Totsune Kazuhito
    Planning for Drug Development and Clinical Evaluation, Tohoku University Graduate School of Pharmaceutical Sciences Department of Social Welfare, Faculty of Synthetic Welfare, Tohoku Fukushi University
  • Imai Yutaka
    Planning for Drug Development and Clinical Evaluation, Tohoku University Graduate School of Pharmaceutical Sciences
  • Takeuchi Kazuhisa
    Planning for Drug Development and Clinical Evaluation, Tohoku University Graduate School of Pharmaceutical Sciences CKD Center, Koujinkai Central Hemodialysis Clinic
  • Fujiwara Masako
    Planning for Drug Development and Clinical Evaluation, Tohoku University Graduate School of Pharmaceutical Sciences

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Quantitative analysis of metabolites is important in 1H-nuclear magnetic resonance (NMR)-based metabolomics of plasma. Human plasma contains a high density of proteins which heavily adsorb the commonly-used standard compound of sodium 3-(trimethylsilyl) propionate 2, 2, 3, 3-d4 (TSP). We have evaluated calcium formate as an alternative standard in 1D single-pulse 1H-NMR spectra to quantify plasma metabolites. Formate did not interact with either plasma metabolites or proteins under adequate conditions. Linear relations between the signal intensities and the added formate have been demonstrated in 1H spectra. The quantifications of glucose and creatinine by this method have shown good accordance with biochemical analysis. Calcium formate is applicable as a concentration standard to NMR metabolomics of plasma.

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