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Record W4399363080 · doi:10.1021/acscatal.4c01447

A Universal Roadmap for Quantification of Glycerol Electrooxidation Products Using Proton Nuclear Magnetic Spectroscopy (<sup>1</sup>H NMR)

2024· article· en· W4399363080 on OpenAlexafffund
Ecem Yelekli Kirici, Shayan Angizi, Drew Higgins

Bibliographic record

VenueACS Catalysis · 2024
Typearticle
Languageen
FieldEnergy
TopicCO2 Reduction Techniques and Catalysts
Canadian institutionsMcMaster University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsGlycerolChemistryProton NMRNuclear magnetic resonance spectroscopyCatalysisOrganic chemistry

Abstract

fetched live from OpenAlex

The electrochemical oxidation of glycerol, a byproduct of biofuel production, can transform this low-value material into a range of valuable compounds to foster a circular bioeconomy. However, developing catalysts and unraveling the mechanisms behind glycerol oxidation hinge on the precise quantification of reaction products, a task requiring analytical techniques. Our research introduces proton nuclear magnetic spectroscopy ( 1 H NMR) as a viable alternative to existing chromatographic and spectroscopic techniques, allowing a sensitive, rapid, and nondestructive detection and quantification of glycerol oxidation reaction products. Utilizing 1 H NMR, we outline a comprehensive framework for identifying the products formed during glycerol oxidation with a focus on the chemical transformations that occur within the reaction medium. As a proof of concept, we employ a platinum catalyst for glycerol electro-oxidation in an alkaline electrolyte, specifically examining the influence of pH and identifying potential discrepancies in calculating Faradaic efficiencies for the reaction. Comparison of the results from 1 H NMR with literature results obtained using high-performance liquid chromatography (HPLC) showed that both methods are coherent. To demonstrate the capabilities, a mixture containing known quantities of glycerol oxidation reaction products was analyzed by 1 H NMR. Concentrations quantified by 1 H NMR matched the real concentrations with an error margin of less than 8%, demonstrating the effectiveness of 1 H NMR for the analysis of a complex mixture of species. These findings lay the groundwork for the broader integration of 1 H NMR into complex liquid product analyses, particularly in organic mixtures.

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 distilled prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation 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: Empirical
Teacher disagreement score0.046
Threshold uncertainty score0.843

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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.

Opus teacher head0.015
GPT teacher head0.261
Teacher spread0.246 · 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 teacher head, 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

Citations38
Published2024
Admission routes2
Has abstractyes

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