Table 1.
Proton chemical shifts observed in Scenedesmus regularis treated with different nitrate concentration (a) metabolite and (b) fatty acid fraction.
| Metabolites | H Group | δH+ (Multiplicity) | Solvent |
|---|---|---|---|
| Lipoproteins | CH3 | 0.91 (m) | Aqueous |
| Leucine | Terminal-CH3, γ-CH3 | 0.95 (t), 1.72 (m) | Aqueous |
| Valine | Terminal CH3, Terminal CH3, β-CH3, α-CH3 | 0.98 (d), 1.03 (d), 2.2 (m), 3.63 (d) | Aqueous |
| Lactate | CH3, CH | 1.33 (d), 4.1 (q) | Aqueous |
| Alanine | CH3, CH | 1.48 (d), 3.76 (qt) | Aqueous |
| Lysine | γ-CH2, δ-CH2, β-CH2, ɛ-CH2 | 1.5 (m), 1.72 (m), 1.9 (m), 3.03 (t) | Aqueous |
| Spermine | H8, H3, (H2, H9, H6, H11) | 1.71 (m), 2.12 (m), 3.14 (m) | Aqueous |
| Acetic acid | CH3 | 1.91 (s) | Aqueous |
| Gamma-amino-N-butyrate | β-CH2, α-CH2, | 1.91 (q), 2.31 (t) | Aqueous |
| Butyric acid-4-amino | 1.9 (m), 2.3 (t), 3.03 (t) | Aqueous | |
| Glutamate | β-CH2, γ-CH2, α-CH | 2.1 (m), 2.33 (dt), 3.77 (t) | Aqueous |
| Succinate | 2xCH2 | 2.40 (s) | Aqueous |
| Ethanolamine | CH2NH2, CH2OH | 3.14 (s), 3.85 (s) | Aqueous |
| Choline-1 | CH3, | 3.19 (s) | Aqueous |
| Choline-2 | CH3, CH2NH | 3.20 (s), 3.55 (m) | Aqueous |
| Betaine | CH3, CH2 | 3.26 (s), 3.91 (s) | Aqueous |
| Sucrose | H10; H9; OH; H17,19; H5, H3, H7 | 3.46 (t), 3.54 (d), 3.66 (s), 3.81 (m), 4.05 (t), 4.21 (d), 5.4 (d) | Aqueous |
| Glycine | CH | 3.55 (s) | Aqueous |
| Glycerol | CHOH, CHOH, COH | 3.55 (d), 3.65 (d), 3.77 (m) | Aqueous |
| α-glucose | CH-1, CH-6 | 3.81 (m), 5.22 (d) | Aqueous |
| β-glucose | CH-1 | 4.63 (d) | Aqueous |
| Uracil | H5, H6 | 5.8 (d), 7.52 (d) | Aqueous |
| Uridine | H(a), H-6 | 5.89 (t), 7.86 (d) | Aqueous |
| Fumarate | CH | 6.51 (s) | Aqueous |
| Nucleoside/Nucleoside | 7.1–7.9 | Aqueous | |
| Formate | 8.45 (s) | Aqueous | |
| Phosphatidylcholine | N(CH3)3, CH2OP | 3.22 (m), 4.27 (m) | Chloroform |
| Glyceroglycolipids | CH3-sn3 | 4.05 (m) | Chloroform |
| Phosphatidylglycerol | Glycerol moiety | 3.61 (m) | Chloroform |
| Phospholipid | 3.1–3.9 | Chloroform | |
| Phosphatidylserine | CH2OP | 4.28 (m) | Chloroform |
| Diacylglycerophospholipid | CH3-sn3 | 4.05 (m) | Chloroform |
| Triglyceride | CH sn1, 3(a), CH sn1, 3(b), CH sn2 | 4.31 (m), 4.14 (m), 5.26 (m) | Chloroform |
| Diglyceride | CH sn1, CH sn2 | 4.31 (m), 5.13 (m) | Chloroform |
| Squalene | 4xCH3, 2x terminal CH3,=CHCH2 | 1.61(d), 1.69 (d), 2.04(m) | Chloroform |
| Sterol | CH3–18 | 0.53 (m) | Chloroform |
| Carotenoids | C=CH, CH=CH, CH-C(CH3) | 6.14 (m), 6.64 (m), 6.35 (m) | Chloroform |
| Phaeophytin | N-H (pophyrin ring) | −1.41 (s), −1.61 (s) | Chloroform |
| Olefinic protons (alkene) | CH=CH/−C=CH | 5.8–6.8 | Chloroform |
| Aldehyde | CH=O | 8.0 (m), 8.55 (m), 9.40 (m), 9.5 (m), 9.53 (m), 10.4 (m) | Chloroform |
| Ester | CH2C=O | 2.32 (triplet of doublets) | Chloroform |
| Free fatty acid | CH2C=O | 2.35 (doublet of singlet) | Chloroform |
| PUFA | Bis-allylic chains | i) C 18:2–2.77 (m) ii) C 18:3–2.81(m) iii) C 22:6–2.84(m) | Chloroform |
| b) Fatty Acid Chains | |||
| Methyl end | n-CH3 | 0.88 (m) | Chloroform |
| PUFA methyl end | n-CH3 | 0.98 (m) | Chloroform |
| Alkyl chain | (-CH2-)n | 1.25 (m) | Chloroform |
| Carboxylic end | CH2COO_ | 1.61 (m) | Chloroform |
| Alkyl chain (allylic) | CH2CH=CH…CH=CHCH2 | 2.06 (m) | Chloroform |
| Carboxylic end* | CH2COO_ | 2.34 (m) | Chloroform |
| Alkyl chain (bisallylic) | -CH=CH(CH2CH=CH)n | 2.81 (m) | Chloroform |
| Double bonds | -CH=CH- | 5.4 (m) | Chloroform |
| PUFA methyl end | n-CH3 | 0.98 (m) | Chloroform |
| Alkyl chain | (-CH2-)n | 1.25 (m) | Chloroform |
| Double bonds | -CH=CH- | 5.4 (m) | Chloroform |