Quantitative Orientation of α-Helical Polypeptides by Attenuated Total Reflection Infrared Spectroscopy
Bibliographic record
Abstract
Spectral simulations of polarized attenuated total reflection (ATR) spectra have been used to quantitatively determine the orientation of α-helical polypeptides. Transmittance and polarized ATR spectra of five monolayers of poly-γ-benzyl -L- glutamate (PBG) transferred by the Langmuir−Blodgett techniques on germanium crystal have been recorded, and the dichroic ratios of the amide I and amide II bands have been calculated. Simulations were performed using anisotropic optical constants of PBG in the molecular coordinate system and using the 4 × 4 matrix formalism of Berreman. Assuming that the α-helices are parallel to the plane of the ATR crystal, an average angle of 38° ± 1° between the helix axes and the withdrawing direction has been found. Simulated spectra for various orientations of the α-helices are then given and influence of the azimuthal and tilt angles on the dichroic ratios of the amide bands has been investigated.
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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".