With an unsupervised GC–MS metabolomics approach, polar metabolite changes of the microalgae Coccomyxa melkonianii SCCA 048 grown under standard conditions for seven weeks were studied. C. melkonianii was sampled at the Rio Irvi River, in the mining site of Montevecchio-Ingurtosu (Sardinia, Italy), which is severely contaminated by heavy metals and shows high concentrations of sulfates. The partial-least-square (PLS) analysis of the GC–MS data indicated that growth of C. melkonianii was characterized by an increase of the levels of threonic acid, myo-inositol, malic acid, and fumaric acid. Furthermore, at the sixth week of exponential phase the lipid fingerprint of C. melkonianii was studied by LC-QTOF-MS. C. melkonianii lipid extract characterized through an iterative MS/MS analysis showed the following percent levels: 61.34 ± 0.60% for triacylglycerols (TAG); 11.55 ± 0.09% for diacylglyceryltrimethyl homoserines (DGTS), 11.34 ± 0.10% for sulfoquinovosyldiacylglycerols (SQDG) and, 5.29 ± 0.04% for lysodiacylglyceryltrimethyl homoserines (LDGTS). Noteworthy, we were able to annotate different fatty acid ester of hydroxyl fatty acid, such as FAHFA (18:1_20:3), FAHFA (18:2_20:4), FAHFA (18:0_20:2), and FAHFA (18:1_18:0), with relevant biological activity. These approaches can be useful to study the biochemistry of this extremophile algae in the view of its potential exploitation in the phycoremediation of polluted mining areas.

使用无监督的 GC-MS 代谢组学方法，研究了在标准条件下生长七周的微藻Coccomyxa melkonianii SCCA 048 的极性代谢物变化。C. melkonianii在 Montevecchio-Ingurtosu（意大利撒丁岛）矿区的 Rio Irvi 河采样，该矿区受到重金属严重污染并显示出高浓度的硫酸盐。由GC-MS数据的所述部分最小二乘（PLS）分析表明的生长C. melkonianii的特征是增加苏糖酸，水平的肌肉肌醇，苹果酸，和富马酸。此外，在指数期的第六周，通过 LC-QTOF-MS 研究了C. melkonianii的脂质指纹。通过迭代 MS/MS 分析表征的C. melkonianii脂质提取物显示出以下百分比水平：三酰甘油 (TAG) 为 61.34 ± 0.60%；二酰基甘油三甲基高丝氨酸 (DGTS) 为 11.55 ± 0.09%，磺基奎诺糖基二酰基甘油 (SQDG) 为 11.34 ± 0.10%，溶血二酰基甘油三甲基高丝氨酸 (GTS) 为 5.29 ± 0.04%。值得注意的是，我们能够注释不同的羟基脂肪酸脂肪酸酯，例如 FAHFA (18:1_20:3)、FAHFA (18:2_20:4)、FAHFA (18:0_20:2) 和 FAHFA (18: 1_18:0)，具有相关的生物活性。鉴于其在污染矿区的藻类修复中的潜在开发，这些方法可用于研究这种极端微生物的生物化学。