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

Ando Itiro, Hirose Takuo, Nemoto Tadashi, Totsune Kazuhito, Imai Yutaka, Takeuchi Kazuhisa, Fujiwara Masako

doi:10.2131/jts.35.253

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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説明

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.