TABLE 1.

Comparison of metabolite levels among the three groups on relative integrals calculated from 1D ¹H-NMR spectra of TNBC patients’ serum samples.

	Mean ± SEM			Pairwise comparisons of Kruskal–Wallis test
	pSD	pPR	pCR	pPR vs. pSD	pPR vs. pCR	pCR vs. pSD
2-Hydroxybutyric acid	1.859 ± 0.052	1.877 ± 0.059	1.827 ± 0.124	0.656	0.497	0.638
2-Hydroxyisovaleric acid	0.612 ± 0.028	0.558 ± 0.028	0.540 ± 0.045	0.012	0.573	0.019
Isocaproic acid	0.067 ± 0.014	0.063 ± 0.016	0.100 ± 0.045	0.703	0.139	0.215
3-Methyl-2-oxovaleric acid	0.690 ± 0.023	0.662 ± 0.016	0.636 ± 0.024	0.058	0.092	0.005
Isovaleric acid	0.454 ± 0.046	0.489 ± 0.042	0.385 ± 0.090	0.279	0.068	0.212
Valine	0.066 ± 0.016	0.106 ± 0.018	0.162 ± 0.038	0.002	0.024	0.001
Isoleucine	0.326 ± 0.023	0.280 ± 0.021	0.317 ± 0.055	0.006	0.247	0.794
Leucine	1.355 ± 0.032	1.421 ± 0.057	1.544 ± 0.184	0.058	0.247	0.089
2-Aminobutanoic acid	0.450 ± 0.067	0.385 ± 0.073	0.188 ± 0.072	0.204	0.001	0.000
2-Oxoisocaproate	0.264 ± 0.016	0.257 ± 0.014	0.284 ± 0.049	0.507	0.327	0.465
Isobutyric acid	0.034 ± 0.007	0.033 ± 0.006	0.025 ± 0.011	0.812	0.194	0.157
Propionic acid	0.107 ± 0.004	0.098 ± 0.004	0.102 ± 0.007	0.006	0.342	0.348
Isopropanol	0.079 ± 0.007	0.075 ± 0.008	0.081 ± 0.005	0.427	0.264	0.683
Ethanol	0.151 ± 0.008	0.140 ± 0.006	0.133 ± 0.013	0.045	0.354	0.027
3-Hydroxybutyric acid	0.798 ± 0.118	0.753 ± 0.082	0.692 ± 0.142	0.543	0.488	0.278
Formic acid	0.005 ± 0.001	0.005 ± 0.001	0.006 ± 0.001	0.285	0.468	0.198
Hypoxanthine	0.006 ± 0.002	0.005 ± 0.002	0.004 ± 0.003	0.526	0.598	0.347
τ-Methylhistidine	0.075 ± 0.035	0.123 ± 0.030	0.169 ± 0.070	0.045	0.248	0.036
Histidine	0.584 ± 0.032	0.592 ± 0.037	0.530 ± 0.076	0.721	0.187	0.224
Hippuric acid	0.063 ± 0.013	0.080 ± 0.016	0.075 ± 0.030	0.123	0.765	0.488
Phenylalanine	0.174 ± 0.013	0.173 ± 0.025	0.218 ± 0.035	0.931	0.058	0.047
Tyrosine	0.214 ± 0.031	0.215 ± 0.024	0.216 ± 0.044	0.955	0.964	0.933
π-Methylhistidine	0.532 ± 0.018	0.578 ± 0.025	0.646 ± 0.074	0.004	0.132	0.019
Threonine	0.298 ± 0.023	0.261 ± 0.021	0.296 ± 0.055	0.023	0.277	0.965
Lactic acid	2.844 ± 0.300	3.363 ± 0.420	4.821 ± 0.778	0.044	0.007	0.001
3-Hydroxyisovaleric acid	0.229 ± 0.018	0.205 ± 0.017	0.250 ± 0.043	0.065	0.086	0.412
Proline	3.285 ± 0.140	2.978 ± 0.130	2.995 ± 0.161	0.002	0.857	0.013
Pyroglutamic acid	0.362 ± 0.042	0.349 ± 0.028	0.375 ± 0.041	0.601	0.335	0.689
Glucose	6.449 ± 0.591	7.571 ± 1.089	7.970 ± 1.421	0.042	0.678	0.043
Serine	0.997 ± 0.044	1.070 ± 0.081	1.055 ± 0.087	0.125	0.812	0.267
Glycerol	0.300 ± 0.047	0.262 ± 0.039	0.273 ± 0.086	0.244	0.827	0.627
Glycine	0.198 ± 0.025	0.225 ± 0.030	0.225 ± 0.050	0.168	0.692	0.364
Arginine	3.505 ± 0.094	3.582 ± 0.110	3.564 ± 0.234	0.303	0.848	0.666
Lysine	3.229 ± 0.112	3.341 ± 0.136	3.354 ± 0.243	0.221	0.937	0.381
2-Oxoglutaric acid	0.010 ± 0.004	0.009 ± 0.003	0.013 ± 0.016	0.624	0.627	0.726
Alanine	0.242 ± 0.048	0.300 ± 0.050	0.513 ± 0.085	0.111	0.001	0.000
Acetic acid	0.088 ± 0.006	0.098 ± 0.007	0.094 ± 0.011	0.062	0.635	0.346
Acetoacetate	0.012 ± 0.006	0.032 ± 0.012	0.023 ± 0.011	0.005	0.327	0.134
Glutamic acid	0.384 ± 0.068	0.402 ± 0.064	0.512 ± 0.072	0.678	0.037	0.017
Glutamine	0.863 ± 0.080	0.828 ± 0.092	0.936 ± 0.158	0.603	0.287	0.448
Pyruvate	0.053 ± 0.003	0.053 ± 0.004	0.062 ± 0.008	0.855	0.081	0.065
N-Acetylglycine	0.132 ± 0.009	0.119 ± 0.014	0.108 ± 0.021	0.131	0.414	0.075
Citric acid	0.006 ± 0.002	0.008 ± 0.002	0.016 ± 0.008	0.196	0.128	0.043
Methionine	0.199 ± 0.008	0.203 ± 0.010	0.211 ± 0.017	0.531	0.415	0.232
Acetone	0.018 ± 0.001	0.018 ± 0.002	0.020 ± 0.002	0.355	0.063	0.167
Aspartic acid	0.136 ± 0.018	0.139 ± 0.014	0.155 ± 0.013	0.823	0.135	0.121
Methylguanidine	0.024 ± 0.002	0.022 ± 0.003	0.026 ± 0.006	0.302	0.223	0.441
Asparagine	1.565 ± 0.112	1.452 ± 0.078	1.220 ± 0.211	0.121	0.084	0.013
Trimethylamine	4.513 ± 0.212	5.007 ± 0.298	4.912 ± 0.576	0.012	0.784	0.265
Sarcosine	0.016 ± 0.004	0.015 ± 0.003	0.021 ± 0.009	0.788	0.276	0.375
Dimethylamine	0.010 ± 0.001	0.009 ± 0.001	0.013 ± 0.002	0.674	0.021	0.027
N,N-Dimethylglycine	6.994 ± 0.217	6.424 ± 0.219	5.423 ± 0.443	0.002	0.001	0.000
Creatine	0.046 ± 0.014	0.069 ± 0.012	0.062 ± 0.022	0.022	0.702	0.224
Dimethyl sulfone	0.034 ± 0.002	0.036 ± 0.002	0.040 ± 0.005	0.401	0.186	0.088
Choline	0.217 ± 0.023	0.216 ± 0.014	0.196 ± 0.028	0.944	0.335	0.309
Phosphocholine	0.245 ± 0.035	0.279 ± 0.032	0.390 ± 0.054	0.189	0.003	0.002
Glycerophosphocholine	0.407 ± 0.036	0.325 ± 0.051	0.395 ± 0.127	0.020	0.502	0.799
Succinic acid	0.062 ± 0.004	0.060 ± 0.004	0.060 ± 0.007	0.403	0.952	0.608
Betaine	0.116 ± 0.033	0.098 ± 0.031	0.076 ± 0.034	0.448	0.421	0.215
Trimethylamine N-oxide	0.236 ± 0.043	0.209 ± 0.030	0.216 ± 0.083	0.225	0.884	0.567
myo-Inositol	1.022 ± 0.029	1.077 ± 0.042	1.057 ± 0.065	0.027	0.587	0.343
Creatinine	0.484 ± 0.018	0.502 ± 0.022	0.472 ± 0.043	0.277	0.208	0.658
Ornithine	8.057 ± 0.245	8.080 ± 0.264	7.454 ± 0.476	0.912	0.037	0.046

SEM means the standard error of the mean, confidence interval.