MétaCan
Menu
Back to cohort
Record W4385383369 · doi:10.1016/j.xphs.2023.07.022

Performance Characteristics of Mass Spectrometry-Based Analytical Procedures for Quantitation of Nitrosamines in Pharmaceuticals: Insights from an Inter-laboratory Study

2023· article· en· W4385383369 on OpenAlexaff
Jingyue Yang, Raghavi Kakarla, Tim Andres Marzan, Bill Sherwin, M. F. George, Justine Bennett, Jose Basutto, Yi Su, Jason E. Ollerenshaw, Justin Morin, Hervé Rebière, Annie‐Françoise Maggio, Audrey Kermaïdic, Elodie Gervela, Charlotte Brenier, Corinne Civade, Denis Chauvey, Françoise Duperray, Uwe Wollein, Massimiliano Conti, Jan M. Tromp, Simon De Meyer, Richard Wanko, Michael Wierer, Marie Bertrand, Jason D. Rodriguez, Cynthia D. Sommers, David A. Keire

Bibliographic record

VenueJournal of Pharmaceutical Sciences · 2023
Typearticle
Languageen
FieldEnvironmental Science
TopicWater Treatment and Disinfection
Canadian institutionsGovernment of Canada
FundersOak Ridge Institute for Science and EducationU.S. Food and Drug AdministrationU.S. Department of Energy
KeywordsChemistryNitrosamineRepeatabilityMass spectrometryChromatographyReproducibilityBiochemical engineeringEnvironmental chemistryProcess engineeringCarcinogenOrganic chemistry

Abstract

fetched live from OpenAlex

With the discovery of carcinogenic nitrosamine impurities in pharmaceuticals in 2018 and subsequent regulatory requirements for risk assessment for nitrosamine formation during pharmaceutical manufacturing processes, storage or from contaminated supply chains, effective testing of nitrosamines has become essential to ensure the quality of drug substances and products. Mass spectrometry has been widely applied to detect and quantify trace amounts of nitrosamines in pharmaceuticals. As part of an effort by regulatory authorities to assess the measurement variation in the determination of nitrosamines, an inter-laboratory study was performed by the laboratories from six regulatory agencies with each of the participants using their own analytical procedures to determine the amounts of nitrosamines in a set of identical samples. The results demonstrated that accurate and precise quantitation of trace level nitrosamines can be achieved across multiple analytical procedures and provided insight into the performance characteristics of mass spectrometry-based analytical procedures in terms of accuracy, repeatability and reproducibility.

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)0.006
metaresearch head score (Gemma)0.013
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Observational · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.006
Threshold uncertainty score0.031

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0060.013
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.001
Science and technology studies0.0010.001
Scholarly communication0.0010.001
Open science0.0010.001
Research integrity0.0020.001
Insufficient payload (model declined to judge)0.0010.001

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 head0.063
GPT teacher head0.389
Teacher spread0.326 · 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 designObservational
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

Citations14
Published2023
Admission routes1
Has abstractno

Explore more

Same venueJournal of Pharmaceutical SciencesSame topicWater Treatment and DisinfectionFrench-language works237,207