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Record W1996264144 · doi:10.1021/jp9938112

Mechanisms for Low-Energy (0.5−30 eV) Electron-Induced Pyrimidine Ring Fragmentation within Thymine- and Halogen-Substituted Single Strands of DNA

2000· article· en· W1996264144 on OpenAlex
Pierre-Cyrille Dugal, Hassan Abdoul‐Carime, Léon Sanche

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueThe Journal of Physical Chemistry B · 2000
Typearticle
Languageen
FieldMaterials Science
TopicElectron and X-Ray Spectroscopy Techniques
Canadian institutionsUniversité de Sherbrooke
FundersMedical Research Council
KeywordsThymineChemistryDissociation (chemistry)Fragmentation (computing)UracilHalogenPyrimidinePhotochemistryExcited stateDesorptionElectronElectron ionizationIonAtomic physicsStereochemistryDNAIonizationPhysical chemistryPhysicsAdsorption

Abstract

fetched live from OpenAlex

Low-energy (0.5−30 eV) electron irradiation of the thymine- and halogen-substituted nonamers Au/Cy* 6 T 3 and Au/Cy* 6 (FU,BrU,IU) 3, chemisorbed onto a gold surface, leads to the desorption of neutral CN and OCN from fragmentation of the DNA base ring. No neutral halogen-containing species are detected. The cross sections at 15 eV for CN and OCN desorbing from the substituted oligomers bromouracil, fluorouracil, iodoracil, and thymine are measured to be 7.5-, 4.5-, (2.5−3.0)-, and (3.0−3.5) × 10 -17 cm 2, respectively; the difference between T and BrU is about 2- to 3-fold over the investigated energy range. The decrease of neutral species produced, in the sequence BrU > FU > IU ≈ T, is observed over the entire 0.5−30 eV range. Unimolecular dissociation of resonant and nonresonant electron-induced uracil-like radicals is likely to be responsible for the formation/desorption of these neutral species. Above 20 eV incident electron energy, the initial process essentially involves nonresonant interactions, whereas within the 5−20 eV energy range, core-excited resonances are implicated. At lower energy, the neutral fragments, which are observed only for bromouracil-substituted oligonucleotides, are induced via a shape resonance. The behavior of the magnitude of the CN and OCN yields with incident electron energy, along with empirical threshold calculations for neutral fragment formation and considerations of transient anion dissociation dynamics, led us to propose possible mechanisms for pyrimidine ring fragmentation by slow electron impact.

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.

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 score0.008
Threshold uncertainty score0.434

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 head0.011
GPT teacher head0.256
Teacher spread0.246 · 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