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Record W2992286357 · doi:10.1016/j.dib.2019.104936

LC-MS analysis data of intermediate products used to construct photodegradation pathways for bis(1H-tetrazol-5-yl)amine (H2BTA)

2019· article· en· W2992286357 on OpenAlexafffund
Annamaria Halasz, Jalal Hawari, Nancy N. Perreault

Bibliographic record

VenueData in Brief · 2019
Typearticle
Languageen
FieldChemistry
TopicChemistry and Stereochemistry Studies
Canadian institutionsPolytechnique MontréalNational Research Council Canada
FundersDefence Research and Development Canada
KeywordsPhotodegradationAmine gas treatingConstruct (python library)ChemistryResearch articleChromatographyComputer scienceBiochemistryOrganic chemistry

Abstract

fetched live from OpenAlex

The photolysis of bis(1H-tetrazol-5-yl)amine (H2BTA) in water was carried out in SolSim and Rayonet photochemical reactors equipped with solar simulating and ultraviolet lamps, respectively. The intermediary degradation products were monitored and tentatively identified by liquid chromatography – mass spectrometry (LC–MS). A quadrupole time-of-flight mass spectrometer (QTOF) was used to measure the mass-to-charge ratio (m/z) of the deprotonated molecular ions ([M – H]−) using electrospray ionization in negative mode (ESI-), thus making it possible to determine the number of C, H, N and O in the molecules. Four major degradation products, namely N-(1H-tetrazol-5-yl)formamide (T(5yl)FA), 1H-tetrazol-5-ylcarbamic acid (T(5yl)CA), N-(1H-tetrazol-5-yl)carbamohydrazonic acid (T(5yl)CHA) and 1H-tetrazol-5-amine (5-AT), have been identified after solar simulated and UV irradiation. This dataset is supplementary to the research paper “Photodegradation of bis(1H-tetrazol-5-yl)amine (H2BTA), a high nitrogen content tetrazole-based energetic compound in water” [1].

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)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: none
GenreCandidate signal: Dataset · Consensus signal: none
Teacher disagreement score0.004
Threshold uncertainty score0.012

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0000.001
Bibliometrics0.0010.001
Science and technology studies0.0000.000
Scholarly communication0.0010.000
Open science0.0000.000
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0040.001

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 head0.079
GPT teacher head0.302
Teacher spread0.223 · 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 designNot applicable
Domainnot available
GenreDataset

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
Published2019
Admission routes2
Has abstractyes

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