Evidence map›Paper›PMID 40076481›Full record

ArticleInternational journal of molecular sciences2025

Application of Biomimetic Chromatography and QSRR Approach for Characterizing Organophosphate Pesticides.

Katarzyna Ewa Greber, Karol Topka Kłończyński, Julia Nicman, Beata Judzińska, Kamila Jarzyńska, Yash Raj Singh, Wiesław Sawicki, Tomasz Puzyn, Karolina Jagiello, Krzesimir Ciura

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in International journal of molecular sciences, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

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

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

  1. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

10 authors.

Katarzyna Ewa GreberDepartment of Physical Chemistry, Faculty of Pharmacy, Medical University of Gdansk, Aleja Generała Józefa Hallera 107, 80-416 Gdansk, Poland.
Karol Topka KłończyńskiLaboratory of Environmental Chemoinformatics, Faculty of Chemistry, University of Gdansk, Wita Stwosza 63, 80-308 Gdansk, Poland.ORCID 0009-0002-8193-2696
Julia NicmanDepartment of Physical Chemistry, Faculty of Pharmacy, Medical University of Gdansk, Aleja Generała Józefa Hallera 107, 80-416 Gdansk, Poland.
Beata JudzińskaLaboratory of Environmental Chemoinformatics, Faculty of Chemistry, University of Gdansk, Wita Stwosza 63, 80-308 Gdansk, Poland.
Kamila JarzyńskaLaboratory of Environmental Chemoinformatics, Faculty of Chemistry, University of Gdansk, Wita Stwosza 63, 80-308 Gdansk, Poland.ORCID 0000-0002-2896-0463
Yash Raj SinghDepartment of Physical Chemistry, Faculty of Pharmacy, Medical University of Gdansk, Aleja Generała Józefa Hallera 107, 80-416 Gdansk, Poland.ORCID 0000-0002-4664-1968
Wiesław SawickiDepartment of Physical Chemistry, Faculty of Pharmacy, Medical University of Gdansk, Aleja Generała Józefa Hallera 107, 80-416 Gdansk, Poland.
Tomasz PuzynLaboratory of Environmental Chemoinformatics, Faculty of Chemistry, University of Gdansk, Wita Stwosza 63, 80-308 Gdansk, Poland.ORCID 0000-0003-0449-8339
Karolina JagielloLaboratory of Environmental Chemoinformatics, Faculty of Chemistry, University of Gdansk, Wita Stwosza 63, 80-308 Gdansk, Poland.
Krzesimir CiuraLaboratory of Environmental Chemoinformatics, Faculty of Chemistry, University of Gdansk, Wita Stwosza 63, 80-308 Gdansk, Poland.

Funding

European Union's Horizon Europe research and innovation program No 101057014National Science Center of Poland 2022/47/D/NZ7/01043
6 · The paper itself

Abstract

Biomimetic chromatography is a powerful tool used in the pharmaceutical industry to characterize the physicochemical properties of molecules during early drug discovery. Some studies have indicated that biomimetic chromatography may also be useful for the evaluation of toxicologically relevant molecules. In this study, we evaluated the usefulness of the biomimetic chromatography approach for determining the lipophilicity, affinity to phospholipids, and bind to plasma proteins of selected organophosphate pesticides. Quantitative structure-retention relationship (QSRR) models were proposed to understand the structural features that influence the experimentally determined properties. ACD/labs, Chemicalize, and alvaDesc software were used to calculate theoretical descriptors. Multilinear regression was used as the regression type, and feature selection was supported by a genetic algorithm. The obtained QSRR models were validated internally and externally, and they demonstrated satisfactory performance with key statistical parameters ranged from 0.844 to 0.914 for R

Indexed as

BiomimeticsChromatographyOrganophosphatesPesticidesQuantitative Structure-Activity RelationshipAlgorithmsPhospholipidsOrganophosphatesPesticidesPhospholipidsartificial membrane chromatographybiomimetic chromatographyorganophosphateQSRR

Identifiers

PMID40076481
PMCPMC11898958

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Registered trials

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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.