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Record W3194401934 · doi:10.1093/protein/gzab021

Engineering stable carbonic anhydrases for CO2 capture: a critical review

2021· review· en· W3194401934 on OpenAlexaff
Mirfath Sultana Mesbahuddin, Aravindhan Ganesan, Subha Kalyaanamoorthy

Bibliographic record

VenueProtein Engineering Design and Selection · 2021
Typereview
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicEnzyme function and inhibition
Canadian institutionsUniversity of Waterloo
Fundersnot available
KeywordsComputational biologyPhage displayProtein engineeringDrug discoveryStructural similaritySimilarity (geometry)Computer scienceProtein designChemistryProtein structureBiologyCombinatorial chemistryBiochemistryArtificial intelligenceEnzyme

Abstract

fetched live from OpenAlex

Abstract In the search for green CO2-capture technology to combat global warming, bioengineering of carbonic anhydrases (CAs) is being sought for with target adaptabilities of extreme temperatures and alkaline pH conditions. The modern in silico screening of protein engineering complements the conventional in vitro high-throughput via generation of iteratively cumulating e-library of diverse beneficial mutations. As identified through various studies of randomized and rationalized mutagenesis, different features have been explored to engineer stability in CAs, including improving structural contacts in the protein quaternary architecture with disulfide bonds and salt-bridge networks, as well as enhancing the protein surface electrostatics. Advanced molecular dynamic simulation techniques and progressive training of machine learning-assisted databases are now being used to unravel wild-type CA properties and predict stable variants thereof with greater accuracy than ever before. The best fit CA achieved so forth demonstrates tolerances of up to 107°C at pH >10 with 25-fold enhancement in CO2 mass transfer. This review will provide an overview of different approaches that have been utilized for engineering CAs and will highlight potential challenges and strategies for developing CA-based CO2-capture and sequestration.

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)0.001
metaresearch head score (Gemma)0.001
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: none
GenreCandidate signal: Review · Consensus signal: Review
Teacher disagreement score0.003
Threshold uncertainty score0.011

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0020.003
Science and technology studies0.0000.000
Scholarly communication0.0010.001
Open science0.0010.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0030.002

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 head0.028
GPT teacher head0.273
Teacher spread0.245 · 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 designNot applicable
Domainnot available
GenreReview

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

Citations36
Published2021
Admission routes1
Has abstractyes

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