Evidence map›Paper›PMID 38225399›Full record

ArticleAnalytical and bioanalytical chemistry2024

An improved workflow for the development of MS-compatible liquid chromatography assay purity and purification methods by using automated LC Screening instrumentation and in silico modeling.

Jeremy Manheim, Andrew N Singh, Pankaj Aggarwal, Fatima Naser Aldine, Imad A Haidar Ahmad

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Article in Analytical and bioanalytical chemistry, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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1 · What the graph read from it

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Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

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4 · The record

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5 · Who and what money

Authors and funding

5 authors.

Jeremy ManheimAnalytical Research and Development, MRL, Merck & Co., Inc., Rahway, NJ, 07065, USA. jeremy.manheim@merck.com.
Andrew N SinghAnalytical Research and Development, MRL, Merck & Co., Inc., Rahway, NJ, 07065, USA.
Pankaj AggarwalAnalytical Research and Development, MRL, Merck & Co., Inc., Rahway, NJ, 07065, USA.
Fatima Naser AldineAnalytical Research and Development, MRL, Merck & Co., Inc., Rahway, NJ, 07065, USA.
Imad A Haidar AhmadAnalytical Research and Development, MRL, Merck & Co., Inc., Rahway, NJ, 07065, USA.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The development of liquid chromatography UV and mass spectrometry (LC-UV-MS) assays in pharmaceutical analysis is pivotal to improve quality control by providing critical information about drug purity, stability, and presence and identity of byproducts and impurities. Analytical method development of these assays is time-consuming, which often causes it to become a bottle neck in drug development and poses a challenge for process chemists to quickly improve the chemistry. In this study, a systematic and efficient workflow was designed to develop purity assay and purification methods for a wide range of compounds including peptides, proteins, and small molecules with MS-compatible mobile phases (MP) by using automated LC screening instrumentation and in silico modeling tools. Initial LC MPs and chromatography column screening experiments enabled quick identification of conditions which provided the best resolution in the vicinity of the target compounds, which is further optimized using computer-assisted modeling (LC Simulator from ACD/Labs). The experimental retention times were in good agreement with the predicted retention times from LC Simulator (Δt

Indexed as

Liquid Chromatography-Mass SpectrometryProteinsChromatography, LiquidComputer SimulationWorkflowProteinsAnalytical method developmentAutomated screeningIn silico modelingLiquid chromatographyMass spectrometryModality agnostic

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.