MétaCan
Menu
Back to cohort
Record W3170843583 · doi:10.1039/d1ra01873f

Thermal desorption effects on fragment ion production from multi-photon ionized uridine and selected analogues

2021· article· en· W3170843583 on OpenAlexfundno aff
Jana Bocková, A. Rebelo, M. Ryszka, Rahul Pandey, Dušan Mészáros, P. Limão-Vieira, Péter Papp, N. J. Mason, Dave Townsend, K. L. Nixon, Violaine Vizcaino, Jean‐Christophe Poully, S. Eden

Bibliographic record

VenueRSC Advances · 2021
Typearticle
Languageen
FieldEngineering
TopicIon-surface interactions and analysis
Canadian institutionsnot available
FundersCentral Institute of Medicinal and Aromatic PlantsFundação para a Ciência e a TecnologiaMenzies Centre for Australian Studies, King's College London, University of LondonEngineering and Physical Sciences Research CouncilAgentúra na Podporu Výskumu a VývojaCentre National de la Recherche ScientifiqueUniversität PotsdamMinisterstvo školstva, vedy, výskumu a športu Slovenskej republikyHorizon 2020 Framework ProgrammeQueen's University BelfastMinistério da Ciência, Tecnologia e Ensino SuperiorVedecká Grantová Agentúra MŠVVaŠ SR a SAVApplied Molecular Biosciences UnitQueen's UniversityOpen UniversityEuropean CommissionUniversity of Wolverhampton
KeywordsUridineIonizationIonNucleosideDesorptionChemistryPhotonFragment (logic)ThermalPhotochemistryPhysicsRNAPhysical chemistryStereochemistryOrganic chemistryBiochemistryOpticsThermodynamics

Abstract

fetched live from OpenAlex

from intact uridine increased substantially with the desorption laser power and this only occurred at MPI wavelengths below 250 nm (full range studied 222-265 nm). We argue that this effect can only be rationalized plausibly in terms of changing populations of different isomers, tautomers, or conformers in the target as a function of the thermal desorption conditions. Furthermore, the wavelength threshold behavior of this thermally-sensitive MPI channel indicates a critical dependence on neutral excited state dynamics between the absorption of the first and second photons. The experimental results are complemented by density functional theory (DFT) optimizations of the lowest-energy structure of uridine and two further conformers distinguished by different orientations of the hydroxymethyl group on the sugar part of the molecule. The energies of the transitions states between these three conformers are low compared with the energy required for decomposition.

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)0.000
metaresearch head score (Gemma)0.001
Version: metacan-v3-hybrid-931329e0061cValidation 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 score0.003
Threshold uncertainty score0.012

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
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)0.0030.000

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 head0.007
GPT teacher head0.227
Teacher spread0.220 · 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 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

Citations7
Published2021
Admission routes1
Has abstractyes

Explore more

Same venueRSC AdvancesSame topicIon-surface interactions and analysisFrench-language works237,207