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 machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.001 |
| 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 | 0.001 |
| Insufficient payload (model declined to judge) | 0.002 | 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 source (direct Gemma or distilled Codex), 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".