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Record W2898741734 · doi:10.26434/chemrxiv.6450380.v1

Femtosecond Pumping Rate Dependence of Fragmentation Mechanisms in Matrix-Assisted Laser Desorption Ionization

2018· preprint· en· W2898741734 on OpenAlexaff
Cornelius L. Pieterse, Frederik Busse, Friedjof Tellkamp, Wesley D. Robertson, R. J. Dwayne Miller

Bibliographic record

VenueChemRxiv · 2018
Typepreprint
Languageen
FieldChemistry
TopicMass Spectrometry Techniques and Applications
Canadian institutionsUniversity of Toronto
FundersNational Physical LaboratoryHamburg Centre for Ultrafast Imaging
KeywordsIonizationFemtosecondDesorptionSoft laser desorptionIonFluenceAtomic physicsLaserFragmentation (computing)Matrix-assisted laser desorption electrospray ionizationMaterials scienceChemistryMolecular physicsMatrix-assisted laser desorption/ionizationElectron ionizationPhysicsOptics

Abstract

fetched live from OpenAlex

The benzyltriphenylphosphonium (BTP) thermometer ion is utilized to characterize the fragmentation mechanisms of matrix-assisted laser desorption/ionization (MALDI) for femtosecond ultraviolet laser pulses. We demonstrate that the survival yield of BTP approaches unity under these conditions, which suggests that a minimal amount of fragmentation is occurring. It is also shown that the survival yield of BTP is insensitive to the laser fluence. However, the magnitude of fragmentation for the matrix increased notably for the same fluence range. These results indicate that the amount of energy transferred from the matrix ions to the BTP thermometer ions is minimal because the femtosecond desorption applied here occur within the stress-confinement regime. This observation is in agreement with recent molecular dynamics simulations which predict that it should be possible to separate both desorption and ionization processes in the regime of stress-confined desorption. Our results indicate that angiotensin is the largest biomolecule which could be routinely measured with these pulses. A mass upper-limit supports the hypothesis that ionization is hindered by the increased thermal gradients imposed in the lattice and associated velocity distribution within the ablation process from the much higher lattice heating rate with femtosecond pulses. This effect results in the temporal overlap between the neutral molecules and the matrix ions being too small to result in sufficient proton exchange for ionization.

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 categoriesMeta-epidemiology (narrow), Insufficient payload (model declined to judge)
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 score0.037
Threshold uncertainty score1.000

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)0.0040.000

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 head0.021
GPT teacher head0.288
Teacher spread0.266 · 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.

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

Citations2
Published2018
Admission routes1
Has abstractyes

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