Using DRIFT Molecular Spectroscopy with Uni- and Multivariate Spectral Techniques To Detect Protein Molecular Structure Differences among Different Genotypes of Barley
Bibliographic record
Abstract
The objectives of this study were to characterize protein molecular structure using DRIFT spectroscopy with univariate and multivariate molecular spectral analyses and identify the structure differences in both hull and seeds among six spring barley varieties [AC Metcalfe (malting-type), CDC Dolly (feed-type, spring forage type), McLeod (feed-type), CDC Helgason (feed-type), CDC Trey (feed-type), CDC Cowboy (feed-type)]. The molecular structure spectral analyses involved protein amide I and II region ca. 1716-1485 cm(-1) (attributed to protein amide I C=O and C-N stretching; amide II N-H bending and C-N stretching) together with agglomerative hierarchical cluster (CLA) and principal component analyses (PCA). The results showed that the molecular spectral techniques were able to identify spectral differences associated with the molecular structural differences among the barley varieties. The molecular spectral analyses at the region of ca. 1715-1485 cm(-1) together with the cluster and principal component analyses were able to show that the molecular structures of the seeds (NOT hull) exhibited distinguished differences among the barley varieties. It was found that CDC Helgason had the distinguished differences from AC Metcalfe, McLeod, and CDC Cowboy in both protein amide I and II. The molecular spectral technique provides a new approach for plant protein molecular structure and biopolymer conformation study.
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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 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.001 |
| 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 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".