Applications of Ultrahigh Performance Liquid Chromatography Electrospray Ionization Q-Orbitrap Mass Spectrometry and QuEChERS for Fingerprinting and Identification of Molecular Markers in Orange Juices
Why this work is in the frame
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Bibliographic record
Abstract
High Resolution Image Download MS PowerPoint Slide This study explored the use of UHPLC/ESI Q-Orbitrap HRMS-based nontarget metabolomics and QuEChERS for fingerprinting and profiling of orange juices for purposes of assessing authenticity and consumer protection. UHPLC/ESI Q-Orbitrap Full MS and Full MS/dd-MS 2 (TopN) data allowed for principle component analysis (PCA), clustering, and differential analysis, and identification of molecular markers. By differential analysis, orange juices made “From Concentrate” (FCs) and “Not From Concentrate” (NFCs) were distinguished in the PCA score plot. Common citrus flavonoids such as tangeretin, nobiletin, hesperidin, and narirutin from orange juices were identified. Steviol glycosides (stevioside and rebaudioside A) were also identified in orange juice/beverage in which stevia extracts had been added as sweeteners. The use of UHPLC/ESI Q-Orbitrap and QuEChERS was practical to distinguish FCs and NFCs, and identify citrus flavonoids and other molecular markers. The identified markers can be used to develop quantitative methods and establish their benchmarks for orange juice authentication and quality.
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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 | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.006 |
| 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