Serum Metabolomics Profiling to Identify Biomarkers for Unstable Angina

Table 2

OPLS-DA coefficients derived from the CPMG NMR data of metabolites in serum samples obtained from different groups.

Metabolites	1H(ppm) and multiplicity	UAP − control
LDL	0.85(br), 1.28(br)	0.751
Glycerophosphocholine	3.23(s)
Threonine	4.25(m)
Phosphocholine	3.21(s)
TC	0.70(br)
3-Hydroxybutyrate	1.20(d), 2.31(dd), 2.41(dd), 4.16(m)
1-Methylhistidine	7.07(s), 7.81(s)
Lipid, -CH2-C=O	2.24(br)
Phenylalanine	7.33(d), 7.37(t), 7.42(m)
Lipid, =CH-CH2-CH=	2.78(br)
Glutamate	2.08(m), 2.12(m), 2.35(m), 3.78(m)
Creatine	3.04(s), 3.93(s)
Lysine	1.45(m), 1.71(m), 1.91(m), 3.01(m), 3.76(m)
Glutamine	2.14(m), 2.45(m), 3.78(m)
Choline	3.20(s)
Leucine	0.96(t)
Valine	0.99(d), 1.04(d)
myo-inositol	3.28(t), 3.56(dd), 3.61(m), 4.06(t)
Isoleucine	0.94(t), 1.01(d)
VLDL	0.88(br), 1.30(br), 1.58(br)	0.441
Lactate	1.33(d), 4.11(q)	0.431
TMAO	3.27(s)	0.430

Correlation coefficients: positive and negative signs indicate positive and negative correlation in the concentrations, respectively. The correlation coefficient of was used as the cutoff value for the statistical significance based on the discrimination significance at the level of and df (degree of freedom) = 20. ‘‘−’’ means the correlation coefficient is less than 0.423. Multiplicity: s: singlet; d: doublet; t: triplet; q: quartet; dd: doublet of doublets; m: multiplet; br: broad single peak.