Raman spectroscopy of the polymorphic forms and liquid state of cocoa butter
Bibliographic record
Abstract
Abstract Raman spectroscopy was used to characterize the polymorphs and liquid state of cocoa butter, with emphasis placed on the evolution of the ester carbonyl stretching region (1800–1700 cm −1 ), along with complementary analysis and comparison of the Raman‐active CC (1200–1000 cm −1 ), CC (1660 cm −1 ), CH (3000–2700 cm −1 ) and CH 2 (1500–1250 cm −1 ) vibrational modes. Unique Raman signatures were obtained for all cocoa butter polymorphs, with their identity confirmed using DSC and XRD. The ester carbonyl region permitted polymorph discrimination due to differences in the number of modes, their relative frequencies and their full‐widths at half‐maximum. The CC stretching modes, which provided insight into the trans/gauche content, were polymorph‐independent. CH stretching generally increased with polymorph stability, indicating the dominance of antisymmetric CH methylene vibrations as the cocoa butter crystal lattice became more ordered. The change in the intensities of the CH stretching bands used to probe the order–disorder transition of forms IV, V and VI hinted at pre‐melt structural changes mostly in forms IV and V. Overall, Raman spectroscopy clearly demonstrated that the different functional groups studied could be characterized independently, allowing for the understanding of their role in cocoa butter polymorphism. Practical applications : Fat bloom is the unwanted, uncontrolled re‐crystallization or polymorphic transition of CB form V crystals into form VI normally caused by the migration of lower‐melting fats (e.g. in centre‐filled products) and/or temperature fluctuations during storage. In its mildest form, it appears as an overall dulling of the chocolate surface. In its extreme form, the appearance of the chocolate deteriorates significantly with the development of distinct white patches. Though forms V and VI can be clearly distinguished via XRD, we present evidence that Raman spectral characterization of the ester carbonyl stretching (1800–1700 cm −1 ), CC (1200–1000 cm −1 ), CC (1660 cm −1 ), CH (3000–2700 cm −1 ) and CH 2 (1500–1250 cm −1 ) vibrational modes yields distinct liquid–solid and polymorph‐dependent differences in CB. From a practical standpoint, the unique signatures associated with forms V and VI offer novel possibilities in the study of fat bloom formation, such as the development of predictive tools.
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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 | 0.000 |
| 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) | 0.001 | 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".