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Record W1968142562 · doi:10.1021/jp002647b

Comment on “Experimental Determination of the Dependence of OH Radical Yield on Photon Energy:  A Comparison with Theoretical Simulations” by Fulford et al. (<i>J. Phys. Chem. A</i> 1999, <i>103</i>, 11345−11349)

2001· article· en· W1968142562 on OpenAlexafffund
Jintana Meesungnoen, Abdelali Filali-Mouhim, Samlee Mankhetkorn, Jean‐Paul Jay‐Gerin

Bibliographic record

VenueThe Journal of Physical Chemistry A · 2001
Typearticle
Languageen
FieldChemistry
TopicPhotochemistry and Electron Transfer Studies
Canadian institutionsUniversité de Sherbrooke
FundersNatural Sciences and Engineering Research Council of CanadaCanadian Institutes of Health Research
KeywordsYield (engineering)ChemistryPhotonEnergy (signal processing)Computational chemistryPhysicsThermodynamicsQuantum mechanics

Abstract

fetched live from OpenAlex

Recently, Fulford et al. 1 have determined experimentally the dependence of the "primary" yield of • OH radicals (G • OH ), a major transient species produced in water radiolysis, 2,3 on photon energy of incident radiation using aqueous solutions of plasmid DNA as a probe to sample the number of hydroxyl radicals present at the spur expansion completion (or homogenization) time, that is, ∼10 -6 s, after the initial deposition of energy.These authors 1 measured the yield of single-strand breaks (ssb) induced within the DNA probe when irradiated with photons varying in energy from 0.28 keV (C K X-rays) to 1.25 MeV ( 60 Co γ-rays).The data, when normalized relative to the yield of ssb for 60 Co γ-rays, were then used as a measure of G • OH (taking G • OH ≈ 2.80 molecule/100 eV [that is, 0.29 µmol/J in SI units; for conversion of yield values into SI units, 1 molecule/ 100 eV ≈ 0.103 64 µmol/J] for 60 Co γ radiation at ∼10 -6 s).As the photon energy decreases from ∼1.25 MeV to 1.5 keV, the values of G • OH so obtained decrease from ∼2.80 to 0.695 molecule/100 eV, whereas there is a steep upturn in G • OH with a further decrease in photon energy from 1.5 to 0.28 keV; for this latter energy, G • OH reaches a value of ∼2.48 molecule/100 eV. 1 Several theoretical calculations (using both analytical models and stochastic simulations) for electrons 4-6 or photons 6,7 predicted such a general shape for the G • OH vs particle energy curve, with a minimum • OH radical yield occurring between 0.1 and 1 keV, in partial agreement with Fulford et al.'s experimental data. 1 Using simulated electron track structures, Pimblott and LaVerne 8 also found a turnaround in G • OH for electrons of an initial energy lower than ∼1 keV.In support of the experimental data of Fulford et al., 1 we present in this comment the results of our Monte Carlo calculations of G • OH as a function of incident electron energy in the range of 0.05-150 keV.A detailed description of our computational modeling of the radiolysis of liquid water, the cross sections employed to describe the various physical

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 score0.007
Threshold uncertainty score0.749

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.001
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.001
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 head0.010
GPT teacher head0.263
Teacher spread0.253 · 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

Citations4
Published2001
Admission routes2
Has abstractyes

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