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Enregistrement W2549508014 · doi:10.1002/mrc.4555

Special issue – Bill Reynolds's Legacy

2016· article· en· W2549508014 sur OpenAlexaffabout
Alex D. Bain

Notice bibliographique

RevueMagnetic Resonance in Chemistry · 2016
Typearticle
Langueen
DomaineChemistry
ThématiqueMolecular spectroscopy and chirality
Établissements canadiensMcMaster University
Organismes subventionnairesnon disponible
Mots-clésHeteronuclear moleculeChemistryPulse sequenceHeteronuclear single quantum coherence spectroscopyCarbon-13 NMRChemical shiftAnalytical Chemistry (journal)Nuclear magnetic resonance spectroscopyNuclear magnetic resonanceStereochemistryOrganic chemistryPhysical chemistryPhysics

Résumé

récupéré en direct d'OpenAlex

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.

Récupéré en direct depuis OpenAlex et désinversé. Les résumés ne sont pas conservés dans cette base de données : les index inversés représentent 8,6 Go des 9,3 Go de texte de la base, et le serveur dispose de 13 Go libres.

Comment cette classification a été obtenuedéplier

Prédiction distillée sur la base complète

Imitation des enseignants

Ni prévalence calibrée, ni vérité terrain. Validation humaine à venir. Apprise à partir de 10 348 étiquettes directes de Codex et de 10 348 étiquettes directes de Gemma. Le mode candidate est l'union des têtes enseignantes seuillées; le consensus est leur intersection. Ces sorties portent le statut machine_predicted_unvalidated et ne sont ni des étiquettes humaines ni des étiquettes directes de modèles de pointe.

score de la tête « metaresearch » (Codex)0,000
score de la tête « metaresearch » (Gemma)0,000
Version: codex-gemma-dda1882f352aStatut de validation: machine_predicted_unvalidated
Catégories candidatesCharge utile insuffisante (le modèle a refusé de juger)
Catégories consensuellesaucune
DomaineSignal candidat: aucune · Signal consensuel: aucune
Devis d'étudeSignal candidat: Expérimental (laboratoire) · Signal consensuel: aucune
GenreSignal candidat: Empirique · Signal consensuel: Empirique
Score de désaccord entre enseignants0,507
Score d'incertitude au seuil0,959

Scores Codex et Gemma par catégorie

CatégorieCodexGemma
Métarecherche0,0000,000
Méta-épidémiologie (sens strict)0,0000,000
Méta-épidémiologie (sens large)0,0000,000
Bibliométrie0,0000,000
Études des sciences et des technologies0,0000,000
Communication savante0,0000,000
Science ouverte0,0010,000
Intégrité de la recherche0,0000,000
Charge utile insuffisante (le modèle a refusé de juger)0,0420,000

Scores machine (provisoires)

Les deux têtes enseignantes du modèle étudiant, lues sur ce travail. Un score ordonne la base pour la relecture; il n'affirme jamais une catégorie, et le statut de validation accompagne chaque rangée tel quel.

Scores de référence d'un modèle non mature (critères de maturité non atteints, 7 itérations). Un score ordonne; il n'affirme jamais une catégorie.

Tête enseignante Opus0,007
Tête enseignante GPT0,236
Écart entre enseignants0,229 · la distance entre les deux têtes enseignantes sur ce seul travail
Statut de validationscore_only:v0-immature-baseline · tel quel depuis la passe de notation : score_only signifie que le nombre peut ordonner les travaux, et qu'aucune étiquette de catégorie n'en découle

Classification

machine, non validée

Prédiction automatique; un appel candidat d’une seule tête enseignante, pas un consensus.

Devis d'étudeExpérimental (laboratoire)
Domainenon disponible
GenreEmpirique

Le détail, modèle par modèle et score par score, se trouve en fin de page sous « Comment cette classification a été obtenue ».

En bref

Citations1
Publié2016
Routes d'admission2
Résumé présentoui

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