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Record W4411048224 · doi:10.1016/j.aca.2025.344297

Monitoring the degree of in-source phospholipid fragmentation during MALDI mass spectrometry imaging

2025· article· en· W4411048224 on OpenAlexafffund
Samantha L. Cousineau, Mohammed H. Sarikahya, Kristina Jurčić, Steven R. Laviolette, Daniel B. Hardy, Ken K.‐C. Yeung

Bibliographic record

VenueAnalytica Chimica Acta · 2025
Typearticle
Languageen
FieldChemistry
TopicMass Spectrometry Techniques and Applications
Canadian institutionsChildren’s Health Research InstituteLawson Health Research Institute
FundersNatural Sciences and Engineering Research Council of CanadaIslamic Scholarship FundWestern UniversitySchulich School of Medicine and DentistryCanadian Institutes of Health ResearchGeorgia Department of Public Health
KeywordsChemistryFragmentation (computing)Mass spectrometryMass spectrometry imagingPhospholipidMALDI imagingChromatographyAnalytical Chemistry (journal)Matrix-assisted laser desorption/ionizationBiochemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI) is a powerful tool for tissue lipid analysis. Yet, the validity of fatty acid (FA) signals is often questioned due to the potential of in-source lipid fragmentation. This study investigates the extent of in-source phospholipid fragmentation by examining different phospholipid headgroups, specifically phosphatidylethanolamine (PE), phosphatidylglycerol (PG), phosphatidylserine (PS) and phosphatidylcholine (PC), containing a mix of saturated and unsaturated tails, comparing in-source fragmentation of FA tails. These standards evaluated phospholipid fragmentation during laser intensity optimization for MALDI-MS and MSI. Fragmentation was assessed in negative ion mode using four MALDI matrices: norharmane (NRM), 9-aminoacridine (9AA), 1,5-diaminonaphthalene (DAN), and 1,6-diphenyl-1,3,5-hexatriene (DPH). By examining the extent of in-source fragmentation during MALDI MSI, an exogenous standard can be chosen to monitor in-source fragmentation during experiments. Various techniques for standard deposition were evaluated, including manual spotting versus automated spraying and pre-depositing standards beneath tissue sections compared to applying them directly onto tissue surfaces. The results demonstrate the ability of these phospholipid standards to detect in-source fragmentation using different matrices, as demonstrated by the detection of the exogenous FA 17:0 tail signal. Furthermore, the study highlights the importance of selecting a standard that closely matches the lipid of interest to optimize laser energy for MSI, enhancing endogenous FA signals while minimizing in-source fragmentation. This work provides a workflow for mitigating in-source fragmentation in MALDI-MSI experiments, enabling more reliable lipid analysis in complex biological tissues.

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)0.001
metaresearch head score (Gemma)0.002
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 score0.001
Threshold uncertainty score0.006

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.002
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0010.001
Open science0.0010.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0010.000

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 head0.013
GPT teacher head0.265
Teacher spread0.252 · 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

Citations1
Published2025
Admission routes2
Has abstractyes

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