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Characterization of Sequentially Extracted Soil Organic Matter by Electrospray Ionization and Atmospheric Pressure Photoionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

2022· article· en· W4291617787 on OpenAlexafffund
Yinghui Wang, Yina Liu, Rosalie Chu, Richard D. Bowden, Kate Lajtha, Myrna J. Simpson, Junjian Wang

Bibliographic record

VenueACS Earth and Space Chemistry · 2022
Typearticle
Languageen
FieldChemistry
TopicMass Spectrometry Techniques and Applications
Canadian institutionsThe Scarborough HospitalUniversity of Toronto
FundersPacific Northwest National LaboratoryNatural Sciences and Engineering Research Council of CanadaNational Natural Science Foundation of China
KeywordsFourier transform ion cyclotron resonanceDegree of unsaturationChemistryElectrospray ionizationAnalytical Chemistry (journal)Mass spectrometryPhotoionizationIonizationIonEnvironmental chemistryOrganic chemistryChromatography

Abstract

fetched live from OpenAlex

Soil organic matter (SOM) is a complex mixture of small molecules and biopolymers that are active in various biogeochemical processes. However, the chemical diversity of biopolymer-derived SOM remains poorly explored. Identifying this diversity is important because global environmental changes may well alter SOM chemistry, as field experiments are beginning to show. Here, organic solvent-extractable (DcMe-SOM), base-hydrolyzable (KOH<sub>Hy</sub>-SOM), and CuO-oxidizable (CuO<sub>Ox</sub>-SOM) SOM fractions from a forest with a long-term nitrogen addition experiment were sequentially extracted and characterized by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) coupled with negative-ion electrospray ionization (ESI) or atmospheric pressure photoionization (APPI). From DcMe-SOM to CuO<sub>Ox</sub>-SOM, the total number of assigned formulas, average O/C ratio, aromaticity, and unsaturation degree of SOM continuously increased, while the average m/z and H/C ratio decreased. Moreover, the dominant chemical category shifted from lipid-like components to phytochemical- and protein-like components. Complementary to ESI, APPI effectively facilitated detection of additional compounds with low polarity. With long-term nitrogen addition, the average m/z, unsaturation degree, aromaticity, and oxidation state of SOM increased, and more aromatic nitrogen-containing formulas were detected in CuOOx-SOM. Our study demonstrates that chronic nitrogen deposition in forests alters both the small molecules and biopolymers of SOM fundamentally.

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 score0.014
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)0.0060.000

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 head0.003
GPT teacher head0.181
Teacher spread0.179 · 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

Citations13
Published2022
Admission routes2
Has abstractyes

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