Metabolic Profiling Study of Yang Deficiency Syndrome in Hepatocellular Carcinoma by ¹H NMR and Pattern Recognition

Table 2

Assignment and intensities of metabolites in serum responsible for PLS-DA separation between YDS-HCC and NYDS-HCC patients.

Metabolite	δ ^1H (ppm)^a	Assignment	Multiplicity^b	Intensity^c (10^3)		𝑃 value^d
				YDS-HCC; (𝑛=21)	NYDS-HCC; (𝑛=21)
LDL/VLDL	0.84, 0.92, 1.24, 1.28, 1.32	CH3(CH2)𝑛/CH3CH2CH2C=	m	67.23±32.64	115.66±47.33	0.000
Isoleucine	0.96	δ-CH3	t	8.27±3.86	13.57±6.20	0.002
Lactate	1.36, 1.40	CH3	d	19.44±15.19	53.44±25.92	0.000
Lipids	2.00, 2.04	CH2C=C	m	9.45±3.73	13.89±5.04	0.002
Choline	3.24	N(CH3)3	s	10.23±5.53	16.05±9.04	0.016
Glucose/sugars	3.28, 3.40, 3.44,; 3.48, 3.72, 3.84, 3.92	Various	m	46.05±27.74	68.39±40.92	0.045

HCC: hepatocellular carcinoma; YDS: Yang deficiency syndrome; NYDS: non-Yang deficiency syndrome; PLS-DA: partial least square discriminatory analysis; LDL: low-density lipid; VLDL: very low-density lipid.
^aChemical shifts were reported with reference to 3-trimethylsilylpropanesulfonate (TPS) singlet resonance at 0.000 ppm.
^bMultiplicity: s: singlet; d: doublet; t: triplet; m: multiplet.
^cData are expressed as mean ± SD.
^d𝑃 value calculated by Mann-Whitney 𝑈 test or 𝑡 test.