Pairing Synchrotron Radiation with an ATR-Integrated Microreactor for In-Situ Spatiotemporal Characterization of Chemical Reactions
Bibliographic record
Abstract
Microfluidic devices consist of microfabricated structures designed to control minuscule\nvolumes of fluid with exceptional precision. The growth of this field has allowed researchers\nto miniaturize lab-based processes, providing an alternative experimental approach\nwhich is more efficient, safer, eco-friendly, and cost-effective. In-situ monitoring\nof chemical reactions is greatly important to the field of chemistry. Real-time characterization\nallows for a better understanding of the system by investigating the underlying\nmechanisms and reaction kinetics. Fourier-transformed infrared (FTIR) spectroscopy is a\nsuitable technique to be coupled with microfluidics as it is non-invasive, straightforward,\nreliable, and sensitive to molecular changes which occur during a reaction. With the use of\nattenuated total reflection (ATR) FTIR spectroscopy, significant attenuation of radiation\nby the fluidic environment is overcome. The quantitative capabilities of IR spectroscopy\ncoupled with a microfluidic device provide researchers with the ability to monitor reaction\nvariables such as reagent concentrations in-situ.\nIn this thesis, I evaluate the abilities of a unique microfluidic device equipped with\na single-bounce ATR element by monitoring a proof-of-concept chemical reaction using\nsynchrotron sourced IR radiation. The unique capabilities of the Mid-IR beamlines’ horizontal\nATR (hATR) endstation at the Canadian Light Source (CLS) allow the beam spot\nto be positioned at any point along the length of the channel to assess the chemical environment\nat many different reaction times. Coupling the endstation capabilities with the\nsingle-bounce ATR accessory and synchrotron radiation allows different sensing areas to\nbe individually addressed, thereby providing the ability to obtain spatially and temporally\nresolved information. This microreactor provided in-situ characterization, which was used\nto spatially and temporally track the concentration changes throughout an SN2 reaction.\nThe collected measurements were then used to determine the kinetic rate constant of the\nmonitored reaction. Therefore, this thesis successfully demonstrates the microreactors’\nimpressive capabilities to monitor a reaction and extract kinetic parameters.
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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 | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.003 | 0.001 |
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".