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Record W7133031594

Total Synthesis of Small Molecules that Target Biological Pathways and Saccharin-based Diels Alder Reactions

2022· dissertation· W7133031594 on OpenAlexaffabout
Heyuan Lu

Bibliographic record

VenueTSpace · 2022
Typedissertation
Language
FieldBiochemistry, Genetics and Molecular Biology
TopicChemical Synthesis and Analysis
Canadian institutionsUniversity of Toronto
Fundersnot available
KeywordsTotal synthesisAcylationAmideEnantioselective synthesisLewis acids and basesSmall moleculeCycloadditionNucleophile
DOInot available

Abstract

fetched live from OpenAlex

The thesis is presented in four chapters that summarizes work carried out in the laboratory of Professor Robert A. Batey at the University of Toronto from 2017 to 2022. Chapter 1, the introduction of acylation reactions (formation of N–Acyl, O–Acyl, S–Acyl bonds), common acylating reagents, and the applications of acylation reactions in organic chemistry as well as total syntheses of natural products. Chapter 2 covers the total synthesis of biological active cyclic depsipeptides chaiyaphumines A-D through different macroyclization approaches. The synthesis employs both O- and N-acylation chemistry to build amide and ester bonds. A comparison between macrolactonization and macrolactamization is made along with the effects of lanthanide triflates as additives for both methods. Chapter 3 of this thesis starts with the overview of the protein degradation pathway by the UPS and how acylations are involved in the mechanism. The total synthesis of the unusual E1 ligase inhibitor himeic acid A and analogues are described. This chemistry involves both O- and N-acylation reactions as key steps in the synthesis. Finally, chapter 4 of this thesis describes the development of a highly diastereoselective, Lewis acid catalyzed N-acyl saccharin-based Diels-Alder reaction and attempts to develop an enantioselective variant. The N-acyl saccharin containing cycloaddition products are crystalline, making their purifications very convenient. Further derivatizations of acyl saccharins to give various functional groups through nucleophilic substitution reactions are described, including transformations to ester, thioester, and amide functional groups.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.007
Threshold uncertainty score0.024

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0010.001
Open science0.0000.001
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0070.004

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.

Opus teacher head0.025
GPT teacher head0.274
Teacher spread0.249 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

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".

Quick stats

Citations0
Published2022
Admission routes2
Has abstractyes

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