Two Unexpected Effects Found with 2,3,4,6-Tetra-O-methyl-D-Gluco- and Mannopyranosyl Oxacarbenium Ions
Bibliographic record
Abstract
Analysis of two of the stable conformations (B0 and B1) of a number of differently configured glycopyranosyl oxacarbenium ions by Density Functional Theory (DFT)calculations found two unexpected phenomena. Firstly, a marked preference for O-2 to be pseudo-equatorial that most dramatically leads to the B1 conformation of D- gluco configured cations taking a 5S1 conformation. The second phenomenon is that the H-2-C-2-O-2-CH 3 torsion angle is found to prefer syn conformations over anti conformations by more than 10 kJ mol-1. Preliminary analysis of these two effects by examining the geometric consequences, the LUMO's and by Natural Bond Order (NBO) analysis are presented.
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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 | 0.000 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.000 | 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".