Characteristics of COPD Patients and Healthy Controls^a.

a<p>FEV₁, forced expiratory volume in 1 s; FVC, functional vital capacity. Date for FEV_1% and FVC % are expressed as mean ± SD.</p

Supplementary_Material – Supplemental material for Long-chain alkenone-inferred temperatures from the last deglaciation to the early Holocene recorded by annually laminated sediments of the maar lake Sihailongwan, northeastern China

Supplemental material, Supplementary_Material for Long-chain alkenone-inferred temperatures from the last deglaciation to the early Holocene recorded by annually laminated sediments of the maar lake Sihailongwan, northeastern China by Qing Sun, Guoqiang Chu, Manman Xie, Yuan Ling, Youliang Su, Qingzeng Zhu, Yabin Shan and Jiaqi Liu in The Holocene</p

OPLS-DA Coefficients Derived from the NMR Data of Metabolites in Serum Obtained from COPD Patients and Healthy Controls.

a<p>Correlation coefficients, positive and negative signs indicate positive and negative correlation in the concentrations, respectively. The correlation coefficient of |r|>0.400 was used as the cut-off value for the statistical significance based on the discrimination significance at the level of <i>p</i>-value = 0.05.</p>b<p>Multiplicity: s, singlet; d, doublet; t, triplet; q, quartet; dd, doublet of doublets; m, multiplet.</p

Representative CPMG ¹H NMR spectra of serum obtained from (A) controls and (B) COPD patients.

<p>The region of δ 6.5–9.0 (in the dashed box) was magnified 16 times compared with corresponding region of δ 0.5–5.5 for the purpose of clarity. Keys: 1-MH: 1-Methylhistidine; 3-MH: 3-Methylhistidine; AA: Acetoacetate; Ace: Acetate; Act: Acetone; Ala: Alanine; Cr: Creatine; Eth: Ethanol; For: Formate; Glc: Glucose; Gln: Glutamine; Glu: Glutamate; Gly: Glycine; GPC: Glycerolphosphocholine; Ileu: Isoleucine; L1: HDL, CH3-(CH2)n-; L2: VLDL, CH3-(CH2)n-; L3: HDL, CH3-(CH2)n-; L4: VLDL, CH3-(CH2)n-; L5: VLDL, -CH2-CH2-C = O; L6: Lipid, -CH2-CH = CH-; L7: Lipid, -CH2-CH = CH-; L8: Lipid, -CH2-C = O; L9: Lipid, = CH-CH2-CH = ; L10: Lipid, -CH = CH-; Lac: Lactate; Leu: Leucine; Lys: Lysine; m-I: myo-Inositol; NAG: N-acetyl glycoprotein signals; Phe: Phenylalanine; Tyr: Tyrosine; Val: Valine.</p

Multivariate data analysis of ¹H NMR spectra obtained from COPD patients and healthy controls.

<p>Scores scatter plots generated from applying (A) PCA, (C) PLS-DA and (E) OPLS-DA to the ¹H NMR spectra of serum. The corresponding scores plots derived from ¹H NMR spectra of urine are shown in (B), (D) and (F), respectively.</p

Plots of permutation test for PLS-DA modes.

<p>A 100 random permutation test for PLS-DA modes generated from (A) serum or (B) urinary profiles of COPD patients and healthy controls.</p

Representative NOESYPR1D ¹H NMR spectra of urine obtained from (A) controls and (B) COPD patients.

<p>The region of δ 5.0–9.5 (in the dashed box) was magnified 16 times compared with corresponding region of δ 0.5–4.5 for the purpose of clarity. Keys: 1-MN: 1-Methylnicotinamide; Ace: Acetate; Act: Acetone; Ala: Alanine; All: Allantoin; AD: Acetamide; Bu: Butyrate; Car: Carnosine; Cit: Citrate; Cho: Choline; Cn: Creatinine; DMA: Dimethylamine; DMG: Dimethylglycine; For: Formate; Gly: Glycine; Hip: Hippurate; IB: Isobutyrate; Kg: α-Ketoglutarate; Lac: Lactate; MM: Methylmalonate; N-MN: N-Methylnicotinamide; NAG: N-Acetylglutamate; PAG: Phenylacetyglycine; p-HPA: p-Hydroxyphenylacetate; Py: Pyruvate; Pyr: Pyridoxine; Suc: Succinate; Tau: Taurine; TMA: Trimethylamine; TMAO: Trimethylamine-N-Oxide; U: Unknown; α-HB: α-Hydroxybutyrate; α-HIB: α-Hydrxoy-isobutyrate.</p

OPLS-DA Coefficients Derived from the NMR Data of Metabolites in Urine Obtained from COPD Patients and Healthy Controls.

a<p>Correlation coefficients, positive and negative signs indicate positive and negative correlation in the concentrations, respectively. The correlation coefficient of |r|>0.400 was used as the cut-off value for the statistical significance based on the discrimination significance at the level of <i>p</i>-value = 0.05.</p>b<p>Multiplicity: s, singlet; d, doublet; t, triplet; q, quartet; dd, doublet of doublets; m, multiplet.</p

Coefficient loading plots obtained from serum and urine.

<p>Coefficient loading plots calculated from OPLS-DA modeling of (A) serum and (B) urine. Peaks in the positive direction indicate metabolites with increased expression levels in healthy controls, whereas the negative direction peaks denote metabolites display enhanced expression levels in COPD patients. The color scaling maps on the right-hand side of each coefficient loading plot represent the contribution of metabolites in discriminating COPD patients from healthy control subjects. Keys of the assignments were shown in <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0065675#pone-0065675-g001" target="_blank">Figure 1</a> and <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0065675#pone-0065675-g002" target="_blank">2</a>, respectively.</p