Infrared Multiple Photon Dissociation Spectra of Proline and Glycine Proton-Bound Homodimers. Evidence for Zwitterionic Structure
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Bibliographic record
Abstract
Infrared multiple photon dissociation (IRMPD) spectroscopy is a very powerful technique to characterize the structures of ions and ionic clusters. The structures of Gly and Pro proton-bound homodimers have been investigated using this method in combination with theoretical calculations. For the protonated Gly dimer, a new most stable isomer, GG-CS01, has been experimentally confirmed to be the dominant species. Direct IR spectroscopic evidence indicates that zwitterionic proline exists in the protonated proline dimer in the gas phase. This zwitterionic isomer (PP-ZW01) is the dominant species, and the most stable nonzwitterionic isomer (PP-CS01) also coexists under the experimental conditions.
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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) | 0.000 | 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 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| 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 it