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Record W4376617289 · doi:10.1021/acs.jchemed.2c01203

Is Your Henderson–Hasselbalch Calculation of Buffer pH Correct?

2023· article· en· W4376617289 on OpenAlexafffund
Charles A. Lucy

Bibliographic record

VenueJournal of Chemical Education · 2023
Typearticle
Languageen
FieldEnvironmental Science
TopicPharmaceutical and Antibiotic Environmental Impacts
Canadian institutionsUniversity of VictoriaUniversity of Alberta
FundersUniversity of Alberta
KeywordsChemistryBuffer (optical fiber)Computer scienceBuffer solutionChromatography

Abstract

fetched live from OpenAlex

A survey of 21 free online buffer calculators and apps found only 2 that correctly calculated pH under conditions where [H + ] and [OH – ] cannot be ignored in the ratio term of the Henderson–Hasselbalch equation. Traditional guidelines for when use of formal concentrations is acceptable were found to be flawed. For acidic (p K a ≤ 7) buffers, the use of formal concentrations is valid when F A – / K a > 20. For alkaline (p K a ≥ 7) buffers, the approximation is valid when F BH + / K b > 20. Robust equations for predicting pH of acidic and alkaline buffers are presented, which could be used with programmable calculators and should be used for online buffer calculators and apps.

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)0.010
metaresearch head score (Gemma)0.064
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Theoretical or conceptual · Consensus signal: none
GenreCandidate signal: Methods · Consensus signal: Methods
Teacher disagreement score0.016
Threshold uncertainty score0.054

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0100.064
Meta-epidemiology (narrow)0.0020.001
Meta-epidemiology (broad)0.0020.001
Bibliometrics0.0020.002
Science and technology studies0.0010.001
Scholarly communication0.0040.007
Open science0.0030.002
Research integrity0.0030.002
Insufficient payload (model declined to judge)0.0160.020

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 head0.044
GPT teacher head0.349
Teacher spread0.305 · 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 designTheoretical or conceptual
Domainnot available
GenreMethods

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

Citations8
Published2023
Admission routes2
Has abstractyes

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