Nucleation and Growth Kinetics of (<i>R</i>)-Mandelic Acid from Aqueous Solution in the Presence of the Opposite Enantiomer
Bibliographic record
Abstract
Resolution of mandelic acid (MA), a racemic compound, is presented in this article using direct crystallization from enantiomeric enriched water solutions. Final crystals with enantiomeric excess ( ee ) of ( R )-MA higher than 96.4% were obtained. Because of the presence of the opposite enantiomer (( S )-MA), it was reported that nucleation and growth of ( R )-MA was inhibited at the initial stage of the experiment (Perlberg, et al. Ind. Eng. Chem. Res. 2005, 44, 1012−1020). In order to understand the nucleation and growth kinetics of ( R )-MA in the presence of ( S )-MA, batch crystallization experiments were performed for controlled linear cooling mode with various operating conditions. Nucleation and growth parameters were then estimated by nonlinear fitting the measured liquid concentrations obtained from the signals of in situ attenuated total reflectance infrared (ATR-IR) spectroscopy and online polarimetry with model predictions. The effects of supersaturation, seed amount, cooling rate, and the presence of opposite enantiomer on the growth and nucleation rate of ( R )-MA were discussed.
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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 | 0.000 | 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) | 0.001 | 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".