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Record W3211662792 · doi:10.32920/ryerson.14652993.v1

Simulation of Enzymatic Production of Amoxicillin

2021· preprint· en· W3211662792 on OpenAlexaff
Zafar Uddin Khan

Bibliographic record

Venuenot available
Typepreprint
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicEnzyme Catalysis and Immobilization
Canadian institutionsToronto Metropolitan University
Fundersnot available
KeywordsYield (engineering)Substrate (aquarium)ChemistryAmoxicillinAgaroseCommercializationEnzymeChromatographyOrganic chemistryMaterials scienceBiochemistryAntibiotics

Abstract

fetched live from OpenAlex

This project report is an attempt to find better conditions and reaction parameters for the potential commercialization of the enzymatic production of amoxicillin. A kinetic model from the literature was used to describe a reaction between p-hydroxyphenylglycine methyl ester (PHPGME) and 6-aminopenicillanic acid (6-APA) that is catalyzed by penicillin G acylase immobilized onto glyoxyl-agarose gel beads. A C++ computer program was developed using the Fourth Order Runge-Kutta method to simulate higher substrate and enzyme concentration during the reaction. For model validation, simulation results were compared with experimental data from the literature and fractional errors. This simulation model predicted 24% yield of amoxicillin at high substrate concentration (50mM of 6-APA; 300mM of PHPGME). It also predicted that increasing the enzyme concentration by four fold could produce a similar amoxicillin yield four times faster. The simulation results obtained in this work could be used in the future to aid in optimization and in further modifications of the kinetic model to predict even better yields. This enzymatic process could therefore become an industrial process to substitute the existing chemical route, which contains toxic organic solvents.

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 score0.328
Threshold uncertainty score0.404

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
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 head0.016
GPT teacher head0.271
Teacher spread0.255 · 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

Citations1
Published2021
Admission routes1
Has abstractyes

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