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. 2021 Apr 23;8:652746. doi: 10.3389/fcvm.2021.652746

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Copyright © 2021 Aa, Lu, Yu, Tang, Lu, Sun, Wang, Li, Yang, Aa, Kong and Wang.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Multivariate statistical analysis differentiates the groups of myocardial infarction (MI) cases, non-MI chest pain cases, and controls based on clinical information (A) and metabolomic data (B), respectively. (1) Non-supervised PCA modeling displays the original similarity of the three groups: MI cases (n = 85), non-MI chest pain cases (n = 61), and controls (n = 84), without arbitrary grouping. (2) Non-supervised PCA modeling displays the original similarity of the four groups: MI cases, unstable angina (UA), other non-MI cardiac cases, and controls, without arbitrary grouping. (A1,A2) PC1: R²X(cum) = 0.0895, Q²(cum) = 0.0106; PC2: R²X(cum) = 0.167, Q²(cum) = 0.0356. (B1,B2) PC1: R²X(cum) = 0.205, Q²(cum) = 0.189; PC2: R²X(cum) = 0.310, Q²(cum) = 0.274; PC3: R²X(cum) = 0.386, Q²(cum) = 0.338. (3) Supervised PLS-DA modeling with the three groups: MI cases, non-MI chest pain cases, and controls. (A3) PC1: R²X(cum) = 0.073, R²Y(cum) = 0.339, Q²(cum) = 0.270; PC2: R²X(cum) = 0.128, R²Y(cum) = 0.544, Q²(cum) = 0.362; PC3: R²X(cum) = 0.174, R²Y(cum) = 0.635, Q²(cum) = 0.394. Permutation tests with the intercepts of R² < 0.23, Q² < −0.20. (B3) PC1: R²X(cum) = 0.184, R²Y(cum) = 0.215, Q²(cum) = 0.207; PC2: R²X(cum) = 0.249, R²Y(cum) = 0.400, Q²(cum) = 0.377; PC3: R²X(cum) = 0.315, R²Y(cum) = 0.547, Q²(cum) = 0.512. Permutation tests with the intercepts of R² < 0.10, Q² < −0.05. (4) Supervised PLS-DA modeling with the four groups: MI cases (n = 85), UA (n = 34), other non-MI cardiac cases (n = 27), and controls (n = 84). (A4) PC1: R²X(cum) = 0.073, R²Y(cum) = 0.259, Q²(cum) = 0.198; PC2: R²X(cum) = 0.132, R²Y(cum) = 0.397, Q²(cum) = 0.269; PC3: R²X(cum) = 0.173, R²Y(cum) = 0.492, Q²(cum) = 0.289. Permutation test with the intercepts of R² < 0.180, Q² < −0.15. (B4) PC1: R²X(cum) = 0.183, R²Y(cum) = 0.169, Q²(cum) = 0.163; PC2: R²X(cum) = 0.254, R²Y(cum) = 0.300, Q²(cum) = 0.277; PC3: R²X(cum) = 0.317, R²Y(cum) = 0.422, Q²(cum) = 0.387. Permutation test with the intercept of R² < 0.11, Q² < −0.05.