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Record W3152761842 · doi:10.1021/acs.cgd.1c00082

Mechanisms of Interaction of Biomolecule Phosphate Side Chains with Calcite during Dissolution

2021· article· en· W3152761842 on OpenAlexafffund
Valentin Nelea, Jeanne Paquette, Marc D. McKee

Bibliographic record

VenueCrystal Growth & Design · 2021
Typearticle
Languageen
FieldMaterials Science
TopicCalcium Carbonate Crystallization and Inhibition
Canadian institutionsMcGill University
FundersFonds de Recherche du Québec - SantéCanadian Institutes of Health ResearchNatural Sciences and Engineering Research Council of CanadaCanada Research Chairs
KeywordsCalciteDissolutionChemistryPyrophosphateBiophysicsCalcium carbonatePhosphateCalciumBiomineralizationAmorphous calcium carbonateBiomoleculePhosphoproteinCrystallographySerineCleavage (geology)PhosphoserineAmino acidBiochemistryPhosphorylationMineralogyChemical engineeringOrganic chemistryMaterials scienceEnzymeBiology

Abstract

fetched live from OpenAlex

In proteins, phosphorylation of amino acid residues confers unique functions, including mineral-binding properties. For example, osteopontin, an abundant phosphoprotein in many biomineralized tissues and structures including bones, teeth, otoconia, and shells, can be variably and extensively phosphorylated. This post-translational modification of osteopontin imparts potent mineralization-regulating functional properties for both calcium phosphate- and calcium carbonate-containing tissues/structures. The local environment in which crystal formation (and dissolution) occurs is also rich in other nonprotein phosphate complexes such as pyrophosphate, polyphosphate (PP), and adenosine triphosphate. Here, we investigated the interaction of various small phospho-molecules with calcite under dissolution conditions. Using atomic force microscopy (AFM), we report on nanotopographic surface alterations resulting from dissolution of the (1 0 4) cleavage surface of calcite exposed to (i) a short-chain PP containing five phosphates (PP5), (ii) the phospho-amino acids P-serine, P-threonine, and P-tyrosine, and (iii) phosphorylethanolamine. We compared CORINA software-measured distances with Ca–Ca spacings characteristic of the step edges visualized experimentally by AFM to provide best-spacing matches on the (1 0 4) calcite acute and obtuse surface step directions during dissolution—this allowed for determination of plausible chiral or achiral molecular footprints for the phospho-molecules docked to Ca atoms at the dissolving calcite surface.

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: none
Teacher disagreement score0.510
Threshold uncertainty score0.558

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 head0.232
Teacher spread0.215 · 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 routes2
Has abstractyes

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