Evidence map›Paper›PMID 41774237›Full record

ArticleJournal of molecular modeling2026

Structure-adsorption relationships of phenyl- and benzylphosphonic acids and their esters on kaolinite:3D-QSAR study.

Lingyun Liu, Guoao Geng, Xianglin Yang, Chuilei Kong

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Article in Journal of molecular modeling, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
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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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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

4 authors.

Lingyun LiuState Key Laboratory of Digital Intelligent Technology for Unmanned Coal Mining, Anhui University of Science and Technology, Huainan, 232001, Anhui, China. lyunliu@163.com.
Guoao GengState Key Laboratory of Digital Intelligent Technology for Unmanned Coal Mining, Anhui University of Science and Technology, Huainan, 232001, Anhui, China.
Xianglin YangModern Industry School of Advanced Ceramics, Hunan Provincial Key Laboratory of Fine Ceramics and Powder Materials, Loudi, 417000, Hunan, China.
Chuilei KongState Key Laboratory of Digital Intelligent Technology for Unmanned Coal Mining, Anhui University of Science and Technology, Huainan, 232001, Anhui, China.

Funding

Anhui University of Science and Technology 2025 graduate student innovation fund 2025cx1011the Natural Science Foundation of China 52174232
6 · The paper itself

Abstract

contextCoal slime water treatment and resource recovery are vital for the sustainable development of coal industry sustainability. Kaolinite, over 60% of clay minerals in coal slime water, is key for high-value flotation utilization. Phosphonic-acid collectors adsorb effectively on kaolinite via -PO(OH)

methodsFirst-principle calculations via Cambridge Serial Total Energy Package (CASTEP) yielded the adsorption energies of 35 phenyl/benzylphosphonic acids/esters on kaolinite (001) to build a molecular structure-adsorption database. The dataset was split into 80% training and 20% test sets post molecular energy minimization. CoMFA/CoMSIA models were built via partial least squares (PLS) regression, evaluated by q

Indexed as

CoMFACoMSIAKaoliniteMolecular designPhenylphosphonic acid–based collectors

Identifiers

PMID41774237

What OpenQuestion holds

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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.