Identification and Reproducibility of Plasma Metabolomic Biomarkers of Habitual Food Intake in a US Diet Validation Study
Abstract
:1. Introduction
2. Results
2.1. Participant Characteristics
2.2. Fasting Plasma Metabolites Correlated with Habitual Food Intake Assessed by FFQ and 24-h Diet Recalls (24HRs)
2.2.1. Fruits
2.2.2. Vegetables
2.2.3. Grains
2.2.4. Proteins
2.2.5. Dairy/Dairy Alternatives
2.2.6. Fats and Oils
2.2.7. Alcohol
2.2.8. Beverages
2.2.9. Miscellaneous
2.3. Reproducibility of the Identified Food Metabolites
3. Discussion
4. Materials and Methods
4.1. Study Population
4.2. Diet Assessment
4.3. Blood Collection and Processing
4.4. Metabolomics Analysis
4.5. Statistical Analysis
5. Conclusions
Supplementary Materials
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
References
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Characteristics | Men (n = 234) | Women (n = 437) |
---|---|---|
Age (year) | 52.4 ± 10.0 | 52.2 ± 9.2 |
Race/ethnicity | ||
White | 147 (62.8) | 256 (58.6) |
Black | 42 (17.9) | 124 (28.4) |
Hispanic | 45 (19.2) | 57 (13.0) |
BMI at pre-FFQ (kg/m2) | 27.5 ± 5.4 | 27.7 ± 6.6 |
Education | ||
<College | 40 (17.1) | 108 (24.7) |
College | 82 (35.0) | 144 (33.0) |
≥Graduate school | 103 (44.0) | 170 (38.9) |
Unknown | 9 (3.8) | 15 (3.4) |
Smoking status | ||
Never | 181 (77.4) | 347 (79.4) |
Former | 53 (22.6) | 90 (20.6) |
Recreational physical activity (MET-h/wk) | ||
0–<5 | 44 (18.8) | 124 (28.4) |
5–<10 2 | 74 (31.6) | 147 (33.6) |
10–<15 | 50 (21.4) | 78 (17.8) |
≥15 | 66 (28.2) | 88 (20.1) |
Ethanol intake (g/d) | 10.3 ± 13.9 | 7.0 ± 11.5 |
Energy from post-FFQ (kcal/d) | 2136 ± 690 | 2007 ± 609 |
Average energy intake from 24HRs (kcal/d) | 2214 ± 583 | 1730 ± 414 |
Food Group/Items | Biochemical Name 2 | Super Pathway | Post-FFQ | Average Dietary Recalls | ICC 3 | ||||
---|---|---|---|---|---|---|---|---|---|
R | p Value | AUC | R | p Value | AUC | ||||
FRUITS | |||||||||
Avocado | X-11315 | 0.22 | 2.43 × 10−8 | 0.82 | 0.18 | 6.24 × 10−6 | 0.74 | 0.64 (0.59, 0.68) | |
X-24475 | 0.21 | 9.21 × 10−8 | 0.82 | 0.13 | 1.07 × 10−3 | 0.73 | 0.56 (0.51, 0.61) | ||
X-11858 | 0.24 | 2.51 × 10−10 | 0.82 | 0.15 | 1.64 × 10−4 | 0.73 | 0.52 (0.47, 0.58) | ||
Apples or pears | 4-allylphenol sulfate | Xenobiotics | 0.20 | 1.63 × 10−7 | 0.79 | 0.44 (0.38, 0.50) | |||
Apples 4 | 4-allylphenol sulfate | Xenobiotics | 0.21 | 3.04 × 10−8 | 0.70 | 0.44 (0.38, 0.50) | |||
β-cryptoxanthin | Cofactors and Vitamins | 0.20 | 1.58 × 10−7 | 0.70 | 0.77 (0.74, 0.80) | ||||
Total citrus fruits and juices | 3-hydroxystachydrine * | Xenobiotics | 0.50 | 1.37 × 10−43 | 0.94 | 0.47 | 4.27 × 10−38 | 0.84 | 0.33 (0.27, 0.40) |
stachydrine | Xenobiotics | 0.50 | 1.31 × 10−43 | 0.93 | 0.46 | 3.27 × 10−36 | 0.85 | 0.50 (0.44, 0.55) | |
N-methylproline | Amino Acid | 0.38 | 7.98 × 10−24 | 0.88 | 0.39 | 3.38 × 10−25 | 0.82 | 0.44 (0.38, 0.51) | |
Oranges | β-cryptoxanthin | Cofactors and Vitamins | 0.30 | 3.05 × 10−15 | 0.81 | 0.33 | 1.07 × 10−17 | 0.76 | 0.77 (0.74, 0.80) |
3-hydroxystachydrine * | Xenobiotics | 0.31 | 1.13 × 10−15 | 0.81 | 0.27 | 1.38 × 10−12 | 0.75 | 0.33 (0.27, 0.40) | |
stachydrine | Xenobiotics | 0.30 | 7.26 × 10−15 | 0.80 | 0.25 | 3.91 × 10−11 | 0.75 | 0.50 (0.44, 0.55) | |
Orange juice | stachydrine | Xenobiotics | 0.35 | 6.46 × 10−21 | 0.88 | 0.34 | 1.28 × 10−19 | 0.80 | 0.50 (0.44, 0.55) |
3-hydroxystachydrine * | Xenobiotics | 0.35 | 7.40 × 10−21 | 0.87 | 0.33 | 1.19 × 10−18 | 0.79 | 0.33 (0.27, 0.40) | |
N-methylproline | Amino Acid | 0.30 | 3.41 × 10−15 | 0.86 | 0.31 | 3.86 × 10−16 | 0.78 | 0.44 (0.38, 0.51) | |
Grapefruit | stachydrine | Xenobiotics | 0.26 | 2.86 × 10−11 | 0.73 | 0.19 | 1.63 × 10−6 | 0.62 | 0.50 (0.44, 0.55) |
3-hydroxystachydrine * | Xenobiotics | 0.22 | 1.34 × 10−8 | 0.70 | 0.18 | 3.73 × 10−6 | 0.62 | 0.33 (0.27, 0.40) | |
Watermelon | X-25271 | 0.37 | 2.65 × 10−22 | 0.83 | 0.26 | 1.47 × 10−11 | 0.66 | 0.33 (0.27, 0.40) | |
Cantaloupe | X-25271 | 0.30 | 6.08 × 10−15 | 0.76 | 0.19 | 1.39 × 10−6 | 0.65 | 0.33 (0.27, 0.40) | |
Berries | methyl glucopyranoside (α + β) | Xenobiotics | 0.17 | 2.00 × 10−5 | 0.83 | 0.23 | 4.29 × 10−9 | 0.76 | 0.62 (0.57, 0.67) |
X-24475 | 0.21 | 7.82 × 10−8 | 0.83 | 0.21 | 7.16 × 10−8 | 0.75 | 0.56 (0.51, 0.61) | ||
X-17354 | 0.16 | 2.32 × 10−5 | 0.83 | 0.20 | 2.18 × 10−7 | 0.73 | 0.62 (0.57, 0.67) | ||
Blueberries | 4-allylphenol sulfate | Xenobiotics | 0.22 | 1.24 × 10−8 | 0.82 | 0.15 | 1.75 × 10−4 | 0.75 | 0.44 (0.38, 0.50) |
γ-tocopherol/β-tocopherol | Cofactors and Vitamins | −0.15 | 1.72 × 10−4 | 0.80 | −0.22 | 1.62 × 10−8 | 0.75 | 0.69 (0.65, 0.73) | |
methyl glucopyranoside (α + β) | Xenobiotics | 0.12 | 1.47 × 10−3 | 0.80 | 0.23 | 2.21 × 10−9 | 0.75 | 0.62 (0.57, 0.67) | |
Raspberries | methyl glucopyranoside (α + β) | Xenobiotics | 0.16 | 4.89 × 10−5 | 0.77 | 0.20 | 1.58 × 10−7 | 0.65 | 0.62 (0.57, 0.67) |
Peaches or plums | β-cryptoxanthin | Cofactors and Vitamins | 0.18 | 3.25 × 10−6 | 0.78 | 0.23 | 4.64 × 10−9 | 0.73 | 0.77 (0.74, 0.80) |
X-12306 | 0.09 | 2.73 × 10−2 | 0.75 | 0.21 | 8.44 × 10−8 | 0.71 | 0.47 (0.41, 0.53) | ||
VEGETABLES | |||||||||
Tomatoes | 4-hydroxychlorothalonil | Xenobiotics | 0.21 | 6.64 × 10−8 | 0.82 | 0.15 | 8.00 × 10−5 | 0.72 | 0.85 (0.83, 0.87) |
Asparagus | ergothioneine | Xenobiotics | 0.23 | 1.31 × 10−9 | 0.77 | 0.12 | 1.67 × 10−3 | 0.62 | 0.86 (0.84, 0.88) |
X-11849 | 0.20 | 1.63 × 10−7 | 0.75 | 0.06 | 1.20 × 10−1 | 0.61 | 0.66 (0.62, 0.70) | ||
X-11847 | 0.22 | 1.33 × 10−8 | 0.75 | 0.07 | 9.24 × 10−2 | 0.60 | 0.58 (0.52, 0.63) | ||
Beans | S-methylcysteine | Amino Acid | 0.21 | 3.85 × 10−8 | 0.90 | 0.18 | 2.53 × 10−6 | 0.71 | 0.36 (0.30, 0.43) |
pipecolate | Amino Acid | 0.21 | 5.06 × 10−8 | 0.89 | 0.19 | 1.68 × 10−6 | 0.72 | 0.32 (0.26, 0.39) | |
X-11849 | 0.08 | 3.98 × 10−2 | 0.89 | 0.21 | 5.75 × 10−8 | 0.72 | 0.66 (0.62, 0.70) | ||
Soy products | X-16649 | 0.33 | 1.41 × 10−18 | 0.77 | 0.37 | 6.46 × 10−23 | 0.75 | 0.46 (0.40, 0.52) | |
X-24637 | 0.33 | 3.68 × 10−18 | 0.77 | 0.36 | 8.49 × 10−22 | 0.74 | 0.39 (0.33, 0.46) | ||
4-ethylphenyl sulfate | Xenobiotics | 0.30 | 4.86 × 10−15 | 0.75 | 0.35 | 1.37 × 10−20 | 0.74 | 0.52 (0.47, 0.58) | |
Fermented soy products | X-11381 | −0.21 | 6.92 × 10−8 | 0.66 | −0.18 | 3.67 × 10−6 | 0.58 | 0.92 (0.91, 0.93) | |
X-14939 | −0.01 | 8.53 × 10−1 | 0.64 | −0.21 | 6.91 × 10−8 | 0.59 | 0.68 (0.63, 0.72) | ||
X-11261 | −0.07 | 7.02 × 10−2 | 0.64 | −0.22 | 6.49 × 10−9 | 0.59 | 0.65 (0.60, 0.69) | ||
Soymilk | 4-ethylphenyl sulfate | Xenobiotics | 0.28 | 2.10 × 10−13 | 0.65 | 0.34 | 6.36 × 10−19 | 0.64 | 0.52 (0.47, 0.58) |
X-24637 | 0.26 | 5.13 × 10−12 | 0.63 | 0.33 | 1.23 × 10−18 | 0.62 | 0.39 (0.33, 0.46) | ||
X-16649 | 0.29 | 1.67 × 10−14 | 0.62 | 0.29 | 5.38 × 10−14 | 0.62 | 0.46 (0.40, 0.52) | ||
Soy protein powder | X-16649 | 0.21 | 8.91 × 10−8 | 0.63 | 0.13 | 1.06 × 10−3 | 0.60 | 0.46 (0.40, 0.52) | |
Cruciferous vegetables | S-methylcysteine | Amino Acid | 0.26 | 1.95 × 10−11 | 0.85 | 0.14 | 3.61 × 10−4 | 0.74 | 0.36 (0.30, 0.43) |
carotene diol (2) | Cofactors and Vitamins | 0.23 | 1.78 × 10−9 | 0.83 | 0.20 | 1.35 × 10−7 | 0.74 | 0.79 (0.75, 0.81) | |
X-13866 | 0.26 | 2.71 × 10−11 | 0.83 | 0.12 | 2.27 × 10−3 | 0.71 | 0.52 (0.47, 0.58) | ||
Leafy greens | carotene diol (1) | Cofactors and Vitamins | 0.23 | 1.56 × 10−9 | 0.84 | 0.23 | 1.28 × 10−9 | 0.76 | 0.83 (0.80, 0.85) |
carotene diol (2) | Cofactors and Vitamins | 0.22 | 2.02 × 10−8 | 0.83 | 0.21 | 3.22 × 10−8 | 0.75 | 0.79 (0.75, 0.81) | |
docosahexaenoate (DHA; 22:6 n3) | Lipid | 0.20 | 2.24 × 10−7 | 0.81 | 0.12 | 2.02 × 10−3 | 0.69 | 0.55 (0.50, 0.60) | |
Iceberg or head lettuce | pentose acid * | Partially Characterized Molecules | −0.23 | 1.09 × 10−9 | 0.71 | −0.03 | 4.61 × 10−1 | 0.57 | 0.56 (0.50, 0.61) |
Peppers | X-23780 | 0.29 | 3.19 × 10−14 | 0.81 | 0.18 | 4.96 × 10−6 | 0.75 | 0.39 (0.33, 0.46) | |
Mushrooms 4 | ergothioneine | Xenobiotics | 0.26 | 2.57 × 10−11 | 0.70 | 0.86 (0.84, 0.88) | |||
X-11847 | 0.24 | 6.54 × 10−10 | 0.69 | 0.58 (0.52, 0.63) | |||||
X-11858 | 0.22 | 1.34 × 10−8 | 0.69 | 0.52 (0.47, 0.58) | |||||
Allium vegetables | N-methyltaurine | Amino Acid | 0.27 | 3.08 × 10−12 | 0.81 | 0.20 | 4.41 × 10−7 | 0.73 | 0.32 (0.25, 0.39) |
ergothioneine | Xenobiotics | 0.22 | 1.18 × 10−8 | 0.80 | 0.10 | 7.38 × 10−3 | 0.71 | 0.86 (0.84, 0.88) | |
N-acetylalliin | Xenobiotics | 0.22 | 1.19 × 10−8 | 0.79 | 0.06 | 1.08 × 10−1 | 0.70 | 0.29 (0.22, 0.36) | |
Onion | N-methyltaurine | Amino Acid | 0.26 | 5.25 × 10−12 | 0.82 | 0.19 | 1.04 × 10−6 | 0.72 | 0.32 (0.25, 0.39) |
ergothioneine | Xenobiotics | 0.21 | 4.36 × 10−8 | 0.79 | 0.10 | 1.08 × 10−2 | 0.70 | 0.86 (0.84, 0.88) | |
N-acetylalliin | Xenobiotics | 0.21 | 1.07 × 10−7 | 0.79 | 0.06 | 1.57 × 10−1 | 0.69 | 0.29 (0.22, 0.36) | |
Garlic | N-methyltaurine | Amino Acid | 0.25 | 8.60 × 10−11 | 0.81 | 0.24 | 8.70 × 10−10 | 0.74 | 0.32 (0.25, 0.39) |
δ-CEHC | Cofactors and Vitamins | −0.23 | 3.48 × 10−9 | 0.81 | −0.14 | 4.34 × 10−4 | 0.69 | 0.48 (0.42, 0.54) | |
N-acetylalliin | Xenobiotics | 0.29 | 3.06 × 10−14 | 0.81 | 0.12 | 2.72 × 10−3 | 0.67 | 0.29 (0.22, 0.36) | |
Garlic powder | S-allylcysteine | Xenobiotics | 0.22 | 1.25 × 10−8 | 0.74 | 0.08 | 5.13 × 10−2 | 0.68 | 0.31 (0.24, 0.38) |
GRAINS | |||||||||
Whole grains | X-21752 | 0.31 | 8.54 × 10−16 | 0.89 | 0.19 | 1.10 × 10−6 | 0.80 | 0.71 (0.67, 0.75) | |
2,6-dihydroxybenzoic acid | Xenobiotics | 0.23 | 1.22 × 10−9 | 0.88 | 0.18 | 3.38 × 10−6 | 0.79 | 0.62 (0.57, 0.67) | |
4-methoxyphenol sulfate | Amino Acid | 0.21 | 9.90 × 10−8 | 0.87 | 0.17 | 8.86 × 10−6 | 0.77 | 0.34 (0.28, 0.41) | |
Whole grain bread | 2-aminophenol sulfate | Xenobiotics | 0.22 | 7.79 × 10−9 | 0.80 | 0.20 | 4.50 × 10−7 | 0.71 | 0.45 (0.39, 0.51) |
Whole grain cereals | X-21752 | 0.42 | 7.24 × 10−29 | 0.87 | 0.38 | 2.86 × 10−24 | 0.84 | 0.71 (0.67, 0.75) | |
2,6-dihydroxybenzoic acid | Xenobiotics | 0.27 | 1.50 × 10−12 | 0.80 | 0.22 | 1.69 × 10−8 | 0.79 | 0.62 (0.57, 0.67) | |
2-aminophenol sulfate | Xenobiotics | 0.30 | 6.86 × 10−15 | 0.79 | 0.25 | 5.65 × 10−11 | 0.80 | 0.45 (0.39, 0.51) | |
Corn products | X-24545 | 0.23 | 2.55 × 10−9 | 0.83 | 0.08 | 4.03 × 10−2 | 0.71 | 0.72 (0.68, 0.75) | |
X-16935 | 0.21 | 5.49 × 10−8 | 0.83 | 0.15 | 7.12 × 10−5 | 0.71 | 0.89 (0.87, 0.90) | ||
γ-tocopherol/β-tocopherol | Cofactors and Vitamins | 0.20 | 1.84 × 10−7 | 0.83 | 0.02 | 5.57 × 10−1 | 0.71 | 0.69 (0.65, 0.73) | |
Refined grains | γ-tocopherol/β-tocopherol | Cofactors and Vitamins | 0.24 | 4.12 × 10−10 | 0.84 | 0.12 | 1.86 × 10−3 | 0.85 | 0.69 (0.65, 0.73) |
X-24475 | −0.20 | 1.29 × 10−7 | 0.84 | −0.17 | 1.19 × 10−5 | 0.84 | 0.56 (0.51, 0.61) | ||
X-23680 | 0.13 | 9.26 × 10−4 | 0.83 | 0.21 | 4.76 × 10−8 | 0.85 | 0.57 (0.52, 0.62) | ||
PROTEINS | |||||||||
Eggs | PE (p-18:0/20:4) * | Lipid | 0.25 | 5.58 × 10−11 | 0.79 | 0.20 | 3.60 × 10−7 | 0.75 | 0.68 (0.63, 0.72) |
PE (p-16:0/20:4) * | Lipid | 0.21 | 8.46 × 10−8 | 0.78 | 0.18 | 2.67 × 10−6 | 0.73 | 0.60 (0.55, 0.65) | |
Red meat | X-11381 | 0.40 | 2.62 × 10−26 | 0.88 | 0.37 | 1.28 × 10−22 | 0.83 | 0.92 (0.91, 0.93) | |
PE (p-18:0/20:4) * | Lipid | 0.40 | 4.29 × 10−26 | 0.88 | 0.37 | 1.73 × 10−22 | 0.82 | 0.68 (0.63, 0.72) | |
PE (p-18:0/18:1) | Lipid | 0.30 | 1.61 × 10−15 | 0.87 | 0.26 | 3.22 × 10−11 | 0.79 | 0.54 (0.49, 0.59) | |
Processed meat | PE (p-18:0/20:4) * | Lipid | 0.38 | 2.27 × 10−23 | 0.85 | 0.31 | 6.65 × 10−16 | 0.80 | 0.68 (0.63, 0.72) |
PE (p-16:0/20:4) * | Lipid | 0.31 | 1.03 × 10−15 | 0.83 | 0.30 | 5.97 × 10−15 | 0.80 | 0.60 (0.55, 0.65) | |
PC (p-16:0/20:4) * | Lipid | 0.31 | 8.70 × 10−16 | 0.83 | 0.24 | 8.37 × 10−10 | 0.78 | 0.73 (0.70, 0.77) | |
Poultry | PE (p-16:0/20:4) * | Lipid | 0.47 | 3.24 × 10−37 | 0.87 | 0.42 | 6.64 × 10−30 | 0.83 | 0.60 (0.55, 0.65) |
PE (p-18:0/20:4) * | Lipid | 0.45 | 2.97 × 10−34 | 0.85 | 0.40 | 4.40 × 10−27 | 0.81 | 0.68 (0.63, 0.72) | |
3-methylhistidine | Amino Acid | 0.54 | 5.73 × 10−51 | 0.85 | 0.40 | 8.50 × 10−27 | 0.81 | 0.45 (0.39, 0.51) | |
Total fish | hydroxy-CMPF * | Lipid | 0.43 | 1.37 × 10−31 | 0.84 | 0.27 | 8.43 × 10−13 | 0.72 | 0.96 (0.95, 0.96) |
CMPF | Lipid | 0.43 | 1.94 × 10−30 | 0.83 | 0.30 | 1.31 × 10−15 | 0.73 | 0.86 (0.84, 0.88) | |
PC (16:0/22:6) | Lipid | 0.30 | 1.52 × 10−15 | 0.81 | 0.27 | 3.03 × 10−12 | 0.71 | 0.77 (0.74, 0.80) | |
Dark meat fish | hydroxy-CMPF * | Lipid | 0.44 | 3.03 × 10−32 | 0.85 | 0.27 | 2.07 × 10−12 | 0.74 | 0.96 (0.95, 0.96) |
CMPF | Lipid | 0.43 | 2.93 × 10−31 | 0.84 | 0.28 | 1.58 × 10−13 | 0.75 | 0.86 (0.84, 0.88) | |
PC (16:0/22:6) | Lipid | 0.35 | 4.59 × 10−20 | 0.83 | 0.24 | 7.08 × 10−10 | 0.72 | 0.77 (0.74, 0.80) | |
Shellfish | X-25810 | 0.35 | 2.61 × 10−20 | 0.77 | 0.24 | 3.13 × 10−10 | 0.70 | 0.55 (0.50, 0.60) | |
CMPF | Lipid | 0.27 | 1.28 × 10−12 | 0.74 | 0.17 | 7.56 × 10−6 | 0.70 | 0.86 (0.84, 0.88) | |
X-25419 | 0.36 | 9.16 × 10−22 | 0.73 | 0.20 | 2.06 × 10−7 | 0.69 | 0.64 (0.60, 0.69) | ||
Total nuts | tryptophan betaine | Amino Acid | 0.43 | 8.29 × 10−31 | 0.91 | 0.30 | 4.82 × 10−15 | 0.83 | 0.82 (0.80, 0.85) |
X-11315 | 0.27 | 1.22 × 10−12 | 0.91 | 0.26 | 1.62 × 10−11 | 0.82 | 0.64 (0.59, 0.68) | ||
X-23644 | 0.31 | 5.97 × 10−16 | 0.89 | 0.26 | 1.11 × 10−11 | 0.80 | 0.32 (0.26, 0.39) | ||
Peanuts | 4-vinylphenol sulfate | Xenobiotics | 0.39 | 1.27 × 10−25 | 0.87 | 0.23 | 4.54 × 10−9 | 0.70 | 0.39 (0.32, 0.46) |
tryptophan betaine | Amino Acid | 0.39 | 7.63 × 10−26 | 0.86 | 0.33 | 1.14 × 10−17 | 0.77 | 0.82 (0.80, 0.85) | |
behenoylcarnitine (C22) * | Lipid | 0.33 | 2.54 × 10−18 | 0.85 | 0.20 | 1.76 × 10−7 | 0.69 | 0.45 (0.39, 0.51) | |
Other nuts | X-11315 | 0.29 | 1.26 × 10−14 | 0.89 | 0.32 | 3.85 × 10−17 | 0.84 | 0.64 (0.59, 0.68) | |
X-24475 | 0.30 | 2.21 × 10−15 | 0.87 | 0.30 | 7.54 × 10−15 | 0.82 | 0.56 (0.51, 0.61) | ||
tryptophan betaine | Amino Acid | 0.25 | 9.08 × 10−11 | 0.85 | 0.19 | 7.64 × 10−7 | 0.78 | 0.82 (0.80, 0.85) | |
Seeds | X-11858 | 0.17 | 1.89 × 10−5 | 0.75 | 0.27 | 4.08 × 10−12 | 0.76 | 0.52 (0.47, 0.58) | |
ergothioneine | Xenobiotics | 0.23 | 3.15 × 10−9 | 0.75 | 0.21 | 5.22 × 10−8 | 0.72 | 0.86 (0.84, 0.88) | |
X-17354 | 0.21 | 6.02 × 10−8 | 0.74 | 0.26 | 1.57 × 10−11 | 0.75 | 0.62 (0.57, 0.67) | ||
DAIRY/DAIRY ALTERNATIVES | |||||||||
Milk | X-11381 | 0.33 | 3.73 × 10−18 | 0.84 | 0.27 | 3.03 × 10−12 | 0.77 | 0.92 (0.91, 0.93) | |
N,N,N-trimethyl-5-aminovalerate | Amino Acid | 0.27 | 2.10 × 10−12 | 0.83 | 0.23 | 4.07 × 10−9 | 0.73 | 0.87 (0.85, 0.89) | |
3-bromo-5-chloro-2,6-dihydroxybenzoic acid * | Xenobiotics | 0.28 | 3.04 × 10−13 | 0.82 | 0.23 | 1.36 × 10−9 | 0.75 | 0.75 (0.72, 0.79) | |
Almond or rice milk | X-24475 | 0.24 | 4.75 × 10−10 | 0.72 | 0.19 | 1.59 × 10−6 | 0.65 | 0.56 (0.51, 0.61) | |
3-bromo-5-chloro-2,6-dihydroxybenzoic acid * | Xenobiotics | −0.18 | 3.89 × 10−6 | 0.71 | −0.21 | 3.93 × 10−8 | 0.64 | 0.75 (0.72, 0.79) | |
3,5-dichloro-2,6-dihydroxybenzoic acid | Xenobiotics | −0.19 | 1.39 × 10−6 | 0.70 | −0.21 | 1.05 × 10−7 | 0.64 | 0.89 (0.88, 0.91) | |
Total cheese | heptenedioate (C7:1-DC) * | Lipid | 0.30 | 1.58 × 10−15 | 0.88 | 0.23 | 1.28 × 10−9 | 0.78 | 0.44 (0.38, 0.50) |
SM (d17:2/16:0, d18:2/15:0) * | Lipid | 0.24 | 2.57 × 10−10 | 0.88 | 0.19 | 1.80 × 10−6 | 0.78 | 0.65 (0.60, 0.69) | |
margaroylcarnitine (C17) * | Lipid | 0.25 | 1.24 × 10−10 | 0.88 | 0.20 | 1.21 × 10−7 | 0.78 | 0.37 (0.31, 0.44) | |
Cream | X-21442 | 0.36 | 2.77 × 10−21 | 0.80 | 0.12 | 3.11 × 10−3 | 0.71 | 0.87 (0.85, 0.88) | |
quinate | Xenobiotics | 0.34 | 1.82 × 10−19 | 0.80 | 0.12 | 2.97 × 10−3 | 0.70 | 0.81 (0.79, 0.84) | |
X-12816 | 0.26 | 2.67 × 10−11 | 0.75 | 0.11 | 4.69 × 10−3 | 0.70 | 0.87 (0.85, 0.89) | ||
FATS AND OILS | |||||||||
Creamy salad dressing | X-16944 | 0.27 | 1.69 × 10−12 | 0.78 | 0.25 | 7.40 × 10−11 | 0.70 | 0.59 (0.54, 0.64) | |
X-11261 | 0.28 | 2.55 × 10−13 | 0.78 | 0.22 | 1.92 × 10−8 | 0.69 | 0.65 (0.60, 0.69) | ||
X-15486 | 0.27 | 1.40 × 10−12 | 0.78 | 0.20 | 1.22 × 10−7 | 0.68 | 0.55 (0.49, 0.60) | ||
Oil and vinegar salad dressing | carotene diol (1) | Cofactors and Vitamins | 0.18 | 4.41 × 10−6 | 0.76 | 0.22 | 1.25 × 10−8 | 0.81 | 0.83 (0.80, 0.85) |
X-24475 | 0.22 | 1.50 × 10−8 | 0.76 | 0.09 | 2.84 × 10−2 | 0.78 | 0.56 (0.51, 0.61) | ||
Olive oil | X-25419 | 0.22 | 1.57 × 10−8 | 0.78 | 0.15 | 8.26 × 10−5 | 0.74 | 0.64 (0.60, 0.69) | |
δ-CEHC | Cofactors and Vitamins | −0.24 | 2.84 × 10−10 | 0.78 | −0.15 | 1.87 × 10−4 | 0.74 | 0.48 (0.42, 0.54) | |
MISCELLANEOUS | |||||||||
French fries | γ-tocopherol/β-tocopherol | Cofactors and Vitamins | 0.21 | 4.60 × 10−8 | 0.85 | 0.10 | 1.48 × 10−2 | 0.72 | 0.69 (0.65, 0.73) |
pentose acid * | Partially Characterized Molecules | −0.24 | 4.27 × 10−10 | 0.85 | −0.07 | 6.36 × 10−2 | 0.71 | 0.56 (0.50, 0.61) | |
X-07765 | 0.23 | 4.00 × 10−9 | 0.84 | 0.07 | 7.28 × 10−2 | 0.71 | 0.47 (0.41, 0.53) | ||
Ice cream | X-07765 | 0.20 | 1.43 × 10−7 | 0.82 | 0.09 | 1.95 × 10−2 | 0.68 | 0.47 (0.41, 0.53) | |
tridecenedioate (C13:1-DC) * | Lipid | 0.21 | 7.05 × 10−8 | 0.80 | 0.07 | 6.05 × 10−2 | 0.68 | 0.58 (0.53, 0.63) | |
margaroylcarnitine (C17) * | Lipid | 0.21 | 8.68 × 10−8 | 0.80 | 0.10 | 1.19 × 10−2 | 0.68 | 0.37 (0.31, 0.44) | |
Chips | X-21339 | 0.31 | 1.57 × 10−16 | 0.81 | 0.26 | 1.38 × 10−11 | 0.78 | 0.90 (0.89, 0.92) | |
X-11880 | 0.30 | 1.04 × 10−14 | 0.80 | 0.28 | 1.35 × 10−13 | 0.80 | 0.90 (0.89, 0.91) | ||
X-11308 | 0.25 | 1.29 × 10−10 | 0.79 | 0.19 | 1.65 × 10−6 | 0.76 | 0.95 (0.95, 0.96) | ||
Chocolate candies | X-13728 | 0.32 | 1.62 × 10−17 | 0.83 | 0.32 | 1.11 × 10−16 | 0.84 | 0.54 (0.48, 0.59) | |
theobromine | Xenobiotics | 0.29 | 1.39 × 10−14 | 0.82 | 0.29 | 5.24 × 10−14 | 0.83 | 0.56 (0.51, 0.62) | |
3,7-dimethylurate | Xenobiotics | 0.29 | 1.46 × 10−14 | 0.82 | 0.29 | 1.82 × 10−14 | 0.83 | 0.46 (0.40, 0.52) | |
Dark chocolate | theobromine | Xenobiotics | 0.26 | 7.78 × 10−12 | 0.80 | 0.22 | 1.64 × 10−8 | 0.72 | 0.56 (0.51, 0.62) |
X-13728 | 0.30 | 1.70 × 10−15 | 0.80 | 0.22 | 5.69 × 10−9 | 0.71 | 0.54 (0.48, 0.59) | ||
7-methylxanthine | Xenobiotics | 0.29 | 3.17 × 10−14 | 0.79 | 0.23 | 3.73 × 10−9 | 0.72 | 0.48 (0.42, 0.54) | |
Energy/protein Bars | X-16649 | 0.20 | 1.40 × 10−7 | 0.80 | 0.19 | 1.79 × 10−6 | 0.71 | 0.46 (0.40, 0.52) | |
Soy sauce | X-11858 | 0.20 | 2.42 × 10−7 | 0.74 | 0.21 | 1.09 × 10−7 | 0.66 | 0.52 (0.47, 0.58) | |
X-11849 | 0.20 | 2.33 × 10−7 | 0.74 | 0.20 | 1.53 × 10−7 | 0.66 | 0.66 (0.62, 0.70) | ||
X-11847 | 0.20 | 1.59 × 10−7 | 0.74 | 0.20 | 1.47 × 10−7 | 0.66 | 0.58 (0.52, 0.63) | ||
Artificial sweeteners | acesulfame | Xenobiotics | 0.24 | 3.28 × 10−10 | 0.75 | 0.23 | 2.16 × 10−9 | 0.74 | 0.49 (0.43, 0.55) |
saccharin | Xenobiotics | 0.21 | 9.48 × 10−8 | 0.68 | 0.21 | 3.09 × 10−8 | 0.66 | 0.59 (0.54, 0.64) | |
erythritol | Xenobiotics | 0.19 | 1.07 × 10−6 | 0.66 | 0.20 | 1.28 × 10−7 | 0.63 | 0.48 (0.42, 0.54) | |
ALCOHOL | |||||||||
Total alcohol | ethyl α-glucopyranoside | Xenobiotics | 0.52 | 9.89 × 10−47 | 0.94 | 0.46 | 2.91 × 10−36 | 0.88 | 0.52 (0.47, 0.58) |
ethyl glucuronide | Xenobiotics | 0.43 | 1.11 × 10−31 | 0.92 | 0.40 | 3.66 × 10−27 | 0.87 | 0.57 (0.52, 0.62) | |
2,3-dihydroxyisovalerate | Xenobiotics | 0.37 | 2.51 × 10−23 | 0.91 | 0.40 | 1.57 × 10−26 | 0.85 | 0.46 (0.40, 0.52) | |
Beer | ethyl α-glucopyranoside | Xenobiotics | 0.38 | 1.23 × 10−23 | 0.84 | 0.33 | 7.63 × 10−18 | 0.82 | 0.52 (0.47, 0.58) |
theophylline | Xenobiotics | 0.29 | 1.18 × 10−14 | 0.82 | 0.23 | 2.04 × 10−9 | 0.81 | 0.78 (0.74, 0.81) | |
X-11795 | 0.25 | 3.27 × 10−11 | 0.82 | 0.23 | 1.13 × 10−9 | 0.81 | 0.56 (0.51, 0.62) | ||
Total wine | ethyl α-glucopyranoside | Xenobiotics | 0.49 | 6.42 × 10−41 | 0.91 | 0.41 | 8.57 × 10−28 | 0.80 | 0.52 (0.47, 0.58) |
2,3-dihydroxyisovalerate | Xenobiotics | 0.44 | 1.69 × 10−32 | 0.86 | 0.42 | 7.57 × 10−30 | 0.80 | 0.46 (0.40, 0.52) | |
ethyl glucuronide | Xenobiotics | 0.45 | 6.20 × 10−34 | 0.85 | 0.40 | 1.30 × 10−26 | 0.82 | 0.57 (0.52, 0.62) | |
Red wine | ethyl α-glucopyranoside | Xenobiotics | 0.45 | 1.76 × 10−33 | 0.83 | 0.35 | 1.05 × 10−20 | 0.78 | 0.52 (0.47, 0.58) |
2,3-dihydroxyisovalerate | Xenobiotics | 0.40 | 2.37 × 10−27 | 0.79 | 0.36 | 2.34 × 10−21 | 0.77 | 0.46 (0.40, 0.52) | |
pentose acid * | Partially Characterized Molecules | 0.32 | 3.25 × 10−17 | 0.79 | 0.31 | 1.17 × 10−15 | 0.76 | 0.56 (0.50, 0.61) | |
White wine | ethyl α-glucopyranoside | Xenobiotics | 0.33 | 1.17 × 10−18 | 0.73 | 0.32 | 2.76 × 10−17 | 0.72 | 0.52 (0.47, 0.58) |
pentose acid * | Partially Characterized Molecules | 0.24 | 5.40 × 10−10 | 0.71 | 0.29 | 2.21 × 10−14 | 0.74 | 0.56 (0.50, 0.61) | |
X-11795 | 0.25 | 1.17 × 10−10 | 0.70 | 0.25 | 1.27 × 10−10 | 0.69 | 0.56 (0.51, 0.62) | ||
Liquor | ethyl α-glucopyranoside | Xenobiotics | 0.34 | 6.55 × 10−19 | 0.75 | 0.16 | 2.35 × 10−5 | 0.68 | 0.52 (0.47, 0.58) |
2-hydroxyphytanate * | Lipid | 0.20 | 1.25 × 10−7 | 0.72 | 0.14 | 4.17 × 10−4 | 0.67 | 0.60 (0.55, 0.65) | |
ethyl glucuronide | Xenobiotics | 0.30 | 3.51 × 10−15 | 0.72 | 0.15 | 1.80 × 10−4 | 0.66 | 0.57 (0.52, 0.62) | |
BEVERAGES | |||||||||
Total coffee | X-21442 | 0.81 | 0.35 × 10−153 | 0.99 | 0.80 | 0.81 × 10−148 | 0.99 | 0.87 (0.85, 0.88) | |
quinate | Xenobiotics | 0.77 | 0.38 × 10−129 | 0.99 | 0.74 | 0.13 × 10−113 | 0.97 | 0.81 (0.79, 0.84) | |
X-23655 | 0.56 | 4.11 × 10−56 | 0.98 | 0.52 | 3.17 × 10−47 | 0.95 | 0.64 (0.59, 0.68) | ||
Decaffeinated | X-21442 | 0.27 | 1.09 × 10−12 | 0.70 | 0.23 | 1.20 × 10−9 | 0.65 | 0.87 (0.85, 0.88) | |
quinate | Xenobiotics | 0.21 | 1.08 × 10−7 | 0.69 | 0.15 | 1.43 × 10−4 | 0.65 | 0.81 (0.79,0.84) | |
Caffeinated | X-21442 | 0.75 | 0.21 × 10−120 | 0.98 | 0.75 | 0.57 × 10−118 | 0.97 | 0.87 (0.85, 0.88) | |
quinate | Xenobiotics | 0.71 | 0.96 × 10−101 | 0.98 | 0.71 | 0.81 × 10−100 | 0.97 | 0.81 (0.79, 0.84) | |
3-hydroxypyridine sulfate | Xenobiotics | 0.59 | 3.37 × 10−63 | 0.96 | 0.57 | 5.09 × 10−57 | 0.94 | 0.72 (0.69, 0.76) | |
Total tea | theanine | Xenobiotics | 0.40 | 8.58 × 10−27 | 0.86 | 0.39 | 1.53 × 10−25 | 0.83 | 0.60 (0.55, 0.65) |
X-17685 | 0.20 | 2.32 × 10−7 | 0.73 | 0.24 | 5.72 × 10−10 | 0.74 | 0.50 (0.44, 0.55) | ||
3-methoxycatechol sulfate (1) | Xenobiotics | 0.20 | 2.49 × 10−7 | 0.73 | 0.22 | 1.46 × 10−8 | 0.72 | 0.42 (0.36, 0.49) | |
Green tea | theanine | Xenobiotics | 0.25 | 5.18 × 10−11 | 0.72 | 0.28 | 1.44 × 10−13 | 0.69 | 0.60 (0.55, 0.65) |
Black tea | theanine | Xenobiotics | 0.34 | 1.03 × 10−19 | 0.76 | 0.35 | 8.60 × 10−21 | 0.77 | 0.60 (0.55, 0.65) |
X-17685 | 0.23 | 2.89 × 10−9 | 0.69 | 0.20 | 1.66 × 10−7 | 0.68 | 0.50 (0.44, 0.55) | ||
3-methoxycatechol sulfate (1) | Xenobiotics | 0.20 | 1.68 × 10−7 | 0.68 | 0.19 | 1.74 × 10−6 | 0.66 | 0.42 (0.36, 0.49) | |
Herbal tea | X-18901 | 0.22 | 9.41 × 10−9 | 0.74 | 0.20 | 2.60 × 10−7 | 0.65 | 0.68 (0.63, 0.72) | |
X-12306 | 0.20 | 1.50 × 10−7 | 0.71 | 0.18 | 4.49 × 10−6 | 0.63 | 0.47 (0.41, 0.53) | ||
Diet beverages | acesulfame | Xenobiotics | 0.42 | 1.15 × 10−29 | 0.82 | 0.29 | 4.97 × 10−14 | 0.76 | 0.49 (0.43, 0.55) |
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Wang, Y.; Hodge, R.A.; Stevens, V.L.; Hartman, T.J.; McCullough, M.L. Identification and Reproducibility of Plasma Metabolomic Biomarkers of Habitual Food Intake in a US Diet Validation Study. Metabolites 2020, 10, 382. https://doi.org/10.3390/metabo10100382
Wang Y, Hodge RA, Stevens VL, Hartman TJ, McCullough ML. Identification and Reproducibility of Plasma Metabolomic Biomarkers of Habitual Food Intake in a US Diet Validation Study. Metabolites. 2020; 10(10):382. https://doi.org/10.3390/metabo10100382
Chicago/Turabian StyleWang, Ying, Rebecca A. Hodge, Victoria L. Stevens, Terryl J. Hartman, and Marjorie L. McCullough. 2020. "Identification and Reproducibility of Plasma Metabolomic Biomarkers of Habitual Food Intake in a US Diet Validation Study" Metabolites 10, no. 10: 382. https://doi.org/10.3390/metabo10100382