MétaCan
Menu
Back to cohort
Record W4404665177 · doi:10.1002/cphc.202400820

Understanding Ion‐specific “Hofmeister” Effects in Enzyme Catalysis through using RNase A as a Paradigm Model

2024· article· en· W4404665177 on OpenAlexafffund
Bahareh Taghavi Shahraki, Mazdak Khajehpour

Bibliographic record

VenueChemPhysChem · 2024
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicProtein Structure and Dynamics
Canadian institutionsUniversity of Manitoba
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsChemistryBiomoleculeFolding (DSP implementation)RNase PHofmeister seriesIonSubstrate (aquarium)CoacervateEnzyme catalysisProtein foldingKineticsEnzymeBiophysicsChemical physicsComputational chemistryBiochemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Biophysical studies in the last two decades have clearly demonstrated that salts affect biomolecules in an ion-specific manner (i. e., Hofmeister Effects). Studies performed upon such diverse biological processes such as protein folding, protein precipitation, protein coacervation and phase separation, and protein oligomerization, have all shown that this ion specificity is directly related to how individual ions interact with biomolecular surfaces. Interestingly, although ion-specific effects upon enzyme catalytic processes are well-known in the literature, a molecular level description of these effects has not yet been made available. For example, it is not clear whether ion-specific effects observed in enzyme catalysis are directly related to how ions modulate the enzyme's folding free energy, or not. This work attempts to address this need by investigating ion-specific effects upon the enzymatic activity and folding free energy of a well-characterized enzyme system, Ribonuclease A (RNase A). To this end we have developed a robust framework to analyze and quantify ion-specific effects upon the RNase A catalyzed phosphate ring opening reaction of cCMP (Cytidine 2':3'-cyclic monophosphate monosodium salt). Our studies show that both the folding thermodynamics and the Michaelis-Menten kinetic parameters of this enzyme show ion-specific salt dependence. However, even through salt addition affects the folding free energy and enzyme catalysis of RNase A in an ion-specific manner, these effects are not necessarily directly related to each other. Ion-specific effects observed in protein folding reflects mostly how an individual ion interacts with the overall protein surface; while alternatively, ion-specific effects on enzyme activity indicate how a given ion interacts with the enzyme active site surface or alternatively, how ions interact with the substrate molecule as represented by changes in the substrate thermodynamic activity coefficient.

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 score0.205
Threshold uncertainty score0.975

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 head0.043
GPT teacher head0.280
Teacher spread0.237 · 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

Citations2
Published2024
Admission routes2
Has abstractyes

Explore more

Same venueChemPhysChemSame topicProtein Structure and DynamicsFrench-language works237,207