Additional file 6 of Determinants of substrate specificity in a catalytically diverse family of acyl-ACP thioesterases from plants
Bibliographic record
Abstract
Additional file 6: Fig. S3. EI mass spectra of compounds detected in media from K27(DE3) E. coli cultures expressing ALTs. β-keto fatty acids secreted into culture media were chemically decarboxylated to methylketones prior to GC-MS analysis. Standard spectra used for compound identification are shown to the right of sample spectra. Fully reduced free fatty acids and saturated methylketones were identified by comparison to standard spectra from the NIST 17 Mass Spectral Library. Monounsaturated methylketones were identified by comparison to spectra previously obtained by Goh et al. [30]. 3-hydroxy fatty acids were identified based on the presence of their trimethylsilyl (TMS) derivatives in silylated samples. Mass spectra of the 2TMS derivatives of 3-hydroxy fatty acids were compared to standard spectra in the NIST 17 library, with the exception of 7(Z)-3-hydroxyhexadec-7-enoic acid, which is unlisted. The 2TMS derivative of 7(Z)-3-hydroxyhexadec-7-enoic acid was identified based the presence of the molecular ion (m/z = 386) and prominent ion fragments characteristic of both the 2TMS derivative of a 3-hydroxy fatty acid (m/z = 73, m/z = 147, m/z = 233, M+ − 31) and the TMS derivative of a monounsaturated fatty acid (M+ − 169, M+ − 90). Indole, a quorum sensing molecule, was present in media from all induced cultures.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.002 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.001 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.322 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".