Conformation and Hydrogen-Bond-Assisted Polymerization in Glycine Lithium Sulfate at High Pressures
Bibliographic record
Abstract
The conformation of glycine has been a subject of extensive research for the past several years. As glycine exists in zwitterionic form in liquids and solids, the experimental observations of its neutral conformation are very limited. The complexes of glycine are simple prototypes to study the conformational properties of glycine. We have investigated the high-pressure behavior of glycine lithium sulfate (GLS), a semiorganic complex of glycine using X-ray diffraction, Raman spectroscopy, and density functional theory (DFT)-based first principles calculations. Our Raman studies and DFT calculations suggest formation of an intramolecular hydrogen bond at higher pressures. Subsequent to a structural transformation to a new high-pressure phase at ∼9 GPa, the observed spectral changes in the Raman spectra above 14 GPa indicate possible conformational change of glycine from zwitterionic to neutral form. At pressures above 18 GPa, the characteristic features in the Raman spectra and the X-ray diffraction patterns suggest transformation to a hydrogen-bond-assisted polymeric phase with intermediate range order.
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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) | 0.000 | 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 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".