Table 1.
Polar phytochemicals identified in fraction A of Aronia melanocarpa L. fruit juice using GC-MS. The concentration is given in µg/mL. Results are presented as mean ± standard deviation.
| Compound | AM Juice 1 Content, µg/mL |
AM Juice 2 Content, µg/mL |
AM Juice 3 Content, µg/mL |
|---|---|---|---|
| Amino Acids | |||
| L-Valine | 3.24 ± 0.06 | 3.41 ± 0.05 | 3.62 ± 0.08 |
| L-Leucine | 8.63 ± 0.17 | 9.10 ± 0.14 | 9.46 ± 0.15 |
| L-Isoleucine | 9.08 ± 0.18 | 9.57 ± 0.15 | 9.96 ± 0.15 |
| L-Threonine | 4.16 ± 0.08 | 4.39 ± 0.07 | 4.56 ± 0.07 |
| L-Phenylalanine | 10.98 ± 0.22 | 11.57 ± 0.18 | 12.04 ± 0.19 |
| L-Lysine | 4.68 ± 0.09 | 4.93 ± 0.08 | 5.13 ± 0.08 |
| L-Proline | 21.43 ± 0.42 | 22.59 ± 0.35 | 23.50 ± 0.36 |
| Glycine | 4.05 ± 0.08 | 4.27 ± 0.07 | 4.44 ± 0.07 |
| Serine | 2.77 ± 0.06 | 2.92 ± 0.05 | 3.04 ± 0.05 |
| L-Aspartic acid | 17.49 ± 0.34 | 18.42 ± 0.28 | 19.17 ± 0.29 |
| L-Asparagine | 6.63 ± 0.13 | 6.98 ± 0.11 | 7.27 ± 0.11 |
| L-Glutamic acid | 1.44 ± 0.03 | 1.52 ± 0.02 | 1.58 ± 0.02 |
| L-Tyrosine | 2.85 ± 0.06 | 3.00 ± 0.05 | 3.12 ± 0.05 |
| Total essential AAs | 40.78 ± 0.79 | 42.97 ± 0.67 | 44.76 ± 0.61 |
| Total non-essential AAs | 56.66 ± 1.12 | 59.71 ± 0.92 | 62.12 ± 0.96 |
| Total AAs | 97.44 ± 1.90 | 102.67 ± 1.58 | 106.88 ± 1.56 |
| Organic Acids | |||
| Succinic acid | 13.54 ± 0.27 | 14.26 ± 0.22 | 14.84 ± 0.23 |
| Fumaric acid | 7.08 ± 0.14 | 7.46 ± 0.11 | 7.76 ± 0.12 |
| Malic acid | 9.88 ± 0.20 | 10.41 ± 0.16 | 10.83 ± 0.17 |
| Pyroglutamic acid (5-oxoproline) | 36.03 ± 0.71 | 37.96 ± 0.59 | 39.50 ± 0.61 |
| 4-Aminobutyric acid | 6.10 ± 0.12 | 6.42 ± 0.10 | 6.68 ± 0.11 |
| 2-Hydroxyglutaric acid | 4.36 ± 0.09 | 4.59 ± 0.07 | 4.78 ± 0.07 |
| 2-Ketoglutaric acid | 8.60 ± 0.17 | 9.06 ± 0.14 | 9.42 ± 0.15 |
| Phenylpyruvic acid | 2.33 ± 0.05 | 2.46 ± 0.04 | 2.56 ± 0.04 |
| 2,3-Dihydroxybutanedioic acid | 11.23 ± 0.23 | 11.84 ± 0.19 | 12.32 ± 0.19 |
| Isocitric acid | 19.41 ± 0.38 | 20.45 ± 0.31 | 21.28 ± 0.33 |
| Total organic acids | 118.55 ± 2.34 | 124.91 ± 1.93 | 129.96 ± 2.01 |
| Sugar Alcohols | |||
| Glycerol | 38.69 ± 0.76 | 40.78 ± 0.63 | 42.42 ± 0.66 |
| Digalactosylglycerol | 7.48 ± 0.15 | 7.88 ± 0.12 | 8.20 ± 0.13 |
| Threitol | 8.20 ± 0.17 | 8.65 ± 0.13 | 8.99 ± 0.14 |
| Erythreol | 2.23 ± 0.05 | 2.35 ± 0.04 | 2.45 ± 0.04 |
| Xylitol | 4.50 ± 0.09 | 4.75 ± 0.08 | 4.94 ± 0.08 |
| Arabinitol | 37.12 ± 0.73 | 39.11 ± 0.61 | 40.69 ± 0.63 |
| L-Glycerol-3-phosphate | 18.99 ± 0.37 | 20.00 ± 0.31 | 20.82 ± 0.33 |
| Manitol | 3.19 ± 0.06 | 3.36 ± 0.05 | 3.50 ± 0.06 |
| Sorbitol | 52.77 ± 1.04 | 55.61 ± 0.86 | 57.86 ± 0.90 |
| Galactitol | 2.05 ± 0.04 | 2.16 ± 0.04 | 2.25 ± 0.03 |
| Myo-inositol | 7.19 ± 0.14 | 7.57 ± 0.12 | 7.88 ± 0.12 |
| Galactosylglycerol | 25.92 ± 1.10 | 28.93 ± 0.91 | 31.31 ± 0.95 |
| Sorbitol-6-phosphate | 46.41 ± 0.91 | 48.90 ± 0.76 | 50.87 ± 0.79 |
| myo-Inositol-1-phosphate isomer | 6.04 ± 0.12 | 6.37 ± 0.10 | 6.62 ± 0.10 |
| myo-Inositol-2-phosphate isomer | 7.96 ± 0.16 | 8.39 ± 0.13 | 8.73 ± 0.13 |
| myo-Inositol-1-phosphate isomer | 3.54 ± 0.07 | 3.73 ± 0.06 | 3.88 ± 0.06 |
| myo-Inositol-2-phosphate isomer | 7.36 ± 0.15 | 7.76 ± 0.12 | 8.07 ± 0.13 |
| Maltitol; alpha-D-Glc-(1,4)-D-sorbitol | 5.25 ± 0.11 | 5.54 ± 0.09 | 5.76 ± 0.09 |
| Galactinol isomer; alpha-D-Gal-(1,3)-myo-Inositol | 0.74 ± 0.02 | 0.78 ± 0.02 | 0.81 ± 0.02 |
| Galactinol isomer; alpha-D-Gal-(1,3)-myo-Inositol | 3.93 ± 0.08 | 4.14 ± 0.07 | 4.31 ± 0.07 |
| Total sugar alcohols | 282.09 ± 6.12 | 298.87 ± 5.10 | 312.14 ± 5.30 |
| Sugar acids | |||
| Glyceric acid | 18.27 ± 0.36 | 19.25 ± 0.30 | 20.02 ± 0.31 |
| Erithreonic acid | 2.84 ± 0.06 | 2.99 ± 0.05 | 3.11 ± 0.05 |
| Threonic acid | 9.00 ± 0.18 | 9.49 ± 0.15 | 9.87 ± 0.16 |
| Pentonic acid | 8.24 ± 0.17 | 8.69 ± 0.13 | 9.04 ± 0.14 |
| Ribonic acid | 5.10 ± 0.10 | 5.37 ± 0.08 | 5.59 ± 0.09 |
| Glucuronic acid isomer | 9.09 ± 0.18 | 9.58 ± 0.15 | 9.96 ± 0.15 |
| Galacturonic acid isomer | 17.05 ± 0.34 | 17.97 ± 0.28 | 18.69 ± 0.29 |
| Glucuronic acid isomer | 13.96 ± 0.27 | 14.71 ± 0.22 | 15.30 ± 0.24 |
| Gluconic acid isomer | 1.91 ± 0.04 | 2.02 ± 0.03 | 2.10 ± 0.03 |
| Galacturonic acid isomer | 3.09 ± 0.06 | 3.26 ± 0.05 | 3.39 ± 0.06 |
| Glucuronic acid isomer | 4.15 ± 0.08 | 4.37 ± 0.07 | 4.55 ± 0.07 |
| Galactonic acid | 6.78 ± 0.14 | 7.15 ± 0.11 | 7.43 ± 0.12 |
| Gluconic acid isomer | 3.98 ± 0.08 | 4.19 ± 0.07 | 4.36 ± 0.07 |
| Glucaric acid | 16.81 ± 0.92 | 22.66 ± 5.21 | 31.32 ± 0.79 |
| Galactaric acid | 3.63 ± 0.07 | 3.82 ± 0.06 | 3.97 ± 0.06 |
| Gluconic acid-6-phosphate | 1.64 ± 0.04 | 1.73 ± 0.03 | 1.80 ± 0.03 |
| Total sugar acids | 125.54 ± 3.06 | 137.24 ± 4.16 | 150.51 ± 2.65 |
| Saccharides (mono-, di-, and tri-) | |||
| Xylose methoxyamine | 6.36 ± 0.13 | 6.52 ± 0.21 | 6.97 ± 0.11 |
| Arabinose methoxyamine | 13.37 ± 0.15 | 14.28 ± 0.22 | 14.86 ± 0.23 |
| Fructose isomer | 15.33 ± 0.30 | 16.16 ± 0.25 | 16.81 ± 0.26 |
| Fructose isomer | 20.24 ± 0.40 | 21.33 ± 0.33 | 22.19 ± 0.34 |
| Sorbose isomer | 30.12 ± 0.60 | 31.74 ± 0.49 | 33.02 ± 0.51 |
| Sorbose isomer | 22.86 ± 0.45 | 24.10 ± 0.37 | 25.07 ± 0.39 |
| Galactose isomer | 37.70 ± 0.74 | 39.72 ± 0.61 | 41.33 ± 0.64 |
| Galactose isomer | 14.85 ± 0.30 | 15.65 ± 0.24 | 16.28 ± 0.25 |
| Glucose isomer | 18.58 ± 0.37 | 19.58 ± 0.31 | 20.37 ± 0.32 |
| Glucose isomer | 14.56 ± 0.29 | 15.34 ± 0.24 | 15.96 ± 0.25 |
| Fructose-6-phosphate isomer | 17.35 ± 0.34 | 18.28 ± 0.28 | 19.02 ± 0.29 |
| Mannose-6-phosphate isomer | 3.71 ± 0.08 | 3.91 ± 0.06 | 4.07 ± 0.06 |
| Galactose-6-phosphate isomer | 20.12 ± 0.40 | 21.21 ± 0.33 | 22.06 ± 0.34 |
| Glucose-6-phosphate isomer | 32.42 ± 0.64 | 34.17 ± 0.53 | 35.54 ± 0.55 |
| Fructose-6-phosphate isomer | 6.22 ± 0.13 | 6.56 ± 0.10 | 6.82 ± 0.11 |
| Galactose-6-phosphate isomer | 3.56 ± 0.07 | 3.75 ± 0.06 | 3.90 ± 0.06 |
| Glucose-6-phosphate isomer | 4.84 ± 0.10 | 5.10 ± 0.08 | 5.31 ± 0.08 |
| Sucrose isomer; alpha-D-Glc-(1,2)-beta-D-Fru isomer | 26.57 ± 0.52 | 28.00 ± 0.43 | 29.13 ± 0.45 |
| Trehalose; alpha-D-Glc-(1,1)-alpha-D-Glc isomer | 10.82 ± 0.21 | 11.40 ± 0.18 | 11.86 ± 0.18 |
| Melibiose isomer; alpha-D-Gal-(1,6)-D-Glc isomer | 19.91 ± 0.40 | 20.98 ± 0.32 | 21.83 ± 0.34 |
| Melibiose isomer; alpha-D-Gal-(1,6)-D-Glc isomer | 20.14 ± 0.40 | 21.23 ± 0.33 | 22.09 ± 0.34 |
| Sucrose isomer; alpha-D-Glc-(1,2)-beta-D-Fru isomer | 22.02 ± 0.44 | 23.20 ± 0.36 | 24.14 ± 0.38 |
| Trehalose; alpha-D-Glc-(1,1)-alpha-D-Glc isomer | 17.28 ± 0.34 | 18.20 ± 0.28 | 18.94 ± 0.29 |
| Raffinose; alpha-D-Gal-(1,6)-alpha-D-Glc-(1,2)-beta-D-Fru isomer | 13.83 ± 0.27 | 14.57 ± 0.23 | 15.16 ± 0.24 |
| Raffinose; alpha-D-Gal-(1,6)-alpha-D-Glc-(1,2)-beta-D-Fru isomer | 27.44 ± 0.54 | 28.91 ± 0.45 | 30.08 ± 0.47 |
| Total saccharides | 440.21 ± 8.38 | 463.89 ± 6.90 | 482.82 ± 7.48 |
| Saturated, unsaturated acids and esters | |||
| 9-(E)-Hexadecenoic acid | 9.13 ± 0.18 | 9.61 ± 0.15 | 10.00 ± 0.15 |
| 9-(Z)-Hexadecenoic acid | 7.03 ± 0.14 | 7.41 ± 0.12 | 7.71 ± 0.12 |
| Heptadecanoic acid | 8.10 ± 0.16 | 8.54 ± 0.13 | 8.88 ± 0.14 |
| Hexadecatrienoic acid | 5.19 ± 0.11 | 5.47 ± 0.08 | 5.70 ± 0.09 |
| Hexadecanoic acid (Palmitic acid) | 7.03 ± 0.14 | 7.41 ± 0.11 | 7.71 ± 0.12 |
| Heptadecanoic acid | 6.49 ± 0.13 | 6.83 ± 0.11 | 7.11 ± 0.11 |
| 9,12-(Z,Z)-Octadecadienoic acid (Linoleic acid) | 10.38 ± 0.21 | 10.94 ± 0.17 | 11.39 ± 0.18 |
| 9,12,15-(Z,Z,Z)-Octadecatrienoic acid (Linolenic acid) | 9.01 ± 0.18 | 9.50 ± 0.15 | 9.88 ± 0.15 |
| Nonadecanoic acid | 2.50 ± 0.05 | 2.64 ± 0.04 | 2.75 ± 0.04 |
| Octadecanoic acid (Stearic acid) | 11.91 ± 0.23 | 12.55 ± 0.19 | 13.05 ± 0.20 |
| (2E,4E)-2,4-Octadecadienoic acid | 16.76 ± 0.33 | 17.66 ± 0.27 | 18.38 ± 0.29 |
| 1-Monopalmitin | 14.79 ± 0.29 | 15.58 ± 0.24 | 16.21 ± 0.25 |
| Monooctadecanoylglycerol | 9.24 ± 0.18 | 9.73 ± 0.15 | 10.13 ± 0.16 |
| beta-Sitosterol | 16.31 ± 0.32 | 17.18 ± 0.26 | 17.88 ± 0.28 |
| Total saturated, unsaturated acids and esters | 141.34 ± 2.77 | 148.95 ± 2.31 | 154.96 ± 2.40 |
AM—Aronia melanocarpa L.; AAs—amino acids. All metabolites are trimethylsilyl derivatives. Essential AAs are given in italic. Additional data regarding chromatographic parameters and total ion chromatogram of tested polar compounds are given in Table S1 and Figure S1, respectively.