Bibliographic record
Abstract
Bill 2016 SMASH Meeting La Jolla, CA Bill Reynolds, now an emeritus faculty member at the University of Toronto, has been a regular at NMR meetings since the early 1960s. Bill's early work in NMR focused on substituent-induced chemical shifts and the utilization of long-range coupling constants to evaluate the transmission of electronic effects in aromatic systems. He had one of the first FT NMR spectrometers in Canada (Varian XL 100). Bill has had a long-standing interest in the NMR structure elucidation of natural products that goes back more than 30 years. In the realm of natural product structure characterization, Bill extensively utilized 2D NMR methods and was heavily engaged in the development of new NMR methods for structure characterization. His early work predated the development of inverse detection methods, and Bill was the first to demonstrate and apply 13C-detected long-range heteronuclear shift correlation methods for natural product structure elucidation.1 In the years since, on a number of occasions when Bill has encountered natural products that would have required inordinately high F1 digital resolution, he has returned to 13C detection methods when sufficient sample was available to side-step resolution problems in the carbon dimension. Some of his notable experiments were FLOCK2 (it employed a small ‘flock’ of three BIRD pulses) and the XCORFE3 pulse sequence that was the forerunner of the proton-detected 2J,3J-HMBC,4 and H2BC5 experiments that followed in 2000 and 2005, respectively. The traditional approach to the chemical investigation of a natural products is to gather chemical and physical data for the compound at hand, and then search the literature to see whether these characteristics are consistent with a compound of established structure… However, modern developments of NMR spectroscopy now offer the possibility of a radically different approach. They can be used to assign structures rapidly, non-destructively, and unambiguously to complex organic molecules, even without any prior structural information other than the molecular formula. Bill has been one of the true pioneers in the field of NMR, publishing in excess of 300 publications, 36 of them in the pages of Magnetic Resonance in Chemistry. In 1998, he received the Gerhard Herzberg Award from the Spectroscopy Society of Canada. Over the years, his work has extensively involved colleagues and students in the Caribbean and Mexico, broadening their education by exposing them to modern structure elucidation techniques, with many of the students visiting and working directly with Bill in Toronto. He has also taught a number of short courses in the Caribbean and Mexico. Bill's NMR mentoring efforts have led to him being named as the first Canadian member of the Academia Mexicana de Ciencias and to the receipt of several awards for his contributions to chemistry in the West Indies, the most recent in 2010. In 2014, Bill was very aptly selected as the first recipient of the James N. Shoolery Award for lifetime contributions to the field of small molecule NMR spectroscopy sponsored by the late Jim Shoolery's family and conferred annually at the SMASH small molecule NMR meeting. Finally, from 1993–2005, he served as an editor for Magnetic Resonance in Chemistry. Hence, it is quite fitting that this special issue of the Journal is dedicated to Professor William F. Reynolds for his many years of continuous contributions to the field of small molecule NMR spectroscopy and Magnetic Resonance in Chemistry.
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How this classification was reachedexpand
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 | 0.000 | 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 | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.042 | 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 teacher head, 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".