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Record W4296162639 · doi:10.1002/rcm.9399

Impurity profile and spectrum characteristics of the isomers in cefamandole nafate using high‐ performance liquid chromatography/high‐performance size exclusion chromatography tandem ion trap/time‐of‐flight mass spectrometry

2022· article· en· W4296162639 on OpenAlexaff
Fan Wang, Jiarui Gao, Huan Chen, Bingqi Zhu, Ping Li, Jian Wang, Liya Hong

Bibliographic record

VenueRapid Communications in Mass Spectrometry · 2022
Typearticle
Languageen
FieldMedicine
TopicAntibiotics Pharmacokinetics and Efficacy
Canadian institutionsThe Scarborough HospitalUniversity of Toronto
Fundersnot available
KeywordsChemistryImpurityChromatographyMass spectrometryForced degradationIon trapMass spectrumElutionLiquid chromatography–mass spectrometryHigh-performance liquid chromatographySize-exclusion chromatographyTandem mass spectrometryAnalytical Chemistry (journal)Reversed-phase chromatographyOrganic chemistry

Abstract

fetched live from OpenAlex

Rationale Reversed‐phase, high‐performance liquid chromatography (RP‐HPLC) and high‐performance size exclusion chromatography (HPSEC) methods were developed to effectively separate unknown impurities and polymerized impurities in cefamandole nafate. The liquid chromatography‐tandem ion trap/time‐of‐flight mass spectrometry (LC‐IT‐TOF‐MS) was applied to characterize the structures of the impurities. Ultraviolet (UV) spectrum characteristics and mass spectrum characteristics of △ 3 ‐isomer and 7‐epimer in cefamandole nafate were studied to distinguish the isomers. Methods RPLC‐IT‐TOF‐MS was used to characterize the structures of unknown impurities and polymerized impurities eluted from the C 18 column. On this basis, the two‐dimensional (2D) HPSEC‐IT‐TOF‐MS was used to confirm the structures of polymerized impurities eluted from the TSK‐gel G2000SWxl column. Complete fragmentation patterns of impurities were studied and used to obtain information about the structures of the impurities. Results The structures of 19 unknown impurities in cefamandole nafate were elucidated based on the high‐resolution MS n data with both positive and negative modes, assisted by the UV spectra and stress testing, of which 2 impurities were polymerized impurities. Cefamandole nafate produced a series of degradation impurities, and another principal component cefamandole acid also produced a series of similar degradation impurities. The disciplines between mass fragmentation pattern/UV spectrum and structure for △ 3 ‐isomer and 7‐epimer were presented to distinguish their structures. Conclusions The results of this study provided a scientific basis for the improvement of official monographs in pharmacopoeias to effectively control the impurities and ensure drug safety for the public. This study also revealed the formation mechanisms of degradation impurities in cefamandole nafate, which may guide industry to improve the manufacturing process and storage conditions to reduce the content of impurities in products.

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 score0.002
Threshold uncertainty score0.004

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0010.000
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 head0.012
GPT teacher head0.256
Teacher spread0.244 · 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

Citations0
Published2022
Admission routes1
Has abstractyes

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