Evidence map›Paper›PMID 40299097›Full record

ArticleJournal of molecular modeling2025

Theoretical investigation of naphthodithiophene diimide derivatives as fluorescent sensors for 2,4,6-trinitrophenol detection.

Leixing Luo, Mingxuan Dang, Xiaoming Song, Qingxia Zhao, Shuo Yang, Xiufang Hou, Shuai Liu, Yixia Ren

Abstract read
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In one paragraph

Article in Journal of molecular modeling, 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

8 authors.

Leixing LuoShaanxi Key Laboratory of Chemical Reaction Engineering, Laboratory of New Energy and New Function Materials, College of Chemistry and Chemical Engineering, Yan'an University, Yan'an, 716000, Shaanxi, China.
Mingxuan DangShaanxi Key Laboratory of Chemical Reaction Engineering, Laboratory of New Energy and New Function Materials, College of Chemistry and Chemical Engineering, Yan'an University, Yan'an, 716000, Shaanxi, China.
Xiaoming SongShaanxi Key Laboratory of Chemical Reaction Engineering, Laboratory of New Energy and New Function Materials, College of Chemistry and Chemical Engineering, Yan'an University, Yan'an, 716000, Shaanxi, China.
Qingxia ZhaoShaanxi Key Laboratory of Chemical Reaction Engineering, Laboratory of New Energy and New Function Materials, College of Chemistry and Chemical Engineering, Yan'an University, Yan'an, 716000, Shaanxi, China.
Shuo YangChina Railway Shanghai Group Co., Ltd. Shanghai Large Scale Road Maintenance Machinery Operation and Maintenance Section, Jing'an, Shanghai, 200071, China.
Xiufang HouShaanxi Key Laboratory of Chemical Reaction Engineering, Laboratory of New Energy and New Function Materials, College of Chemistry and Chemical Engineering, Yan'an University, Yan'an, 716000, Shaanxi, China. houxiufang@yau.edu.cn.
Shuai LiuShaanxi Key Laboratory of Chemical Reaction Engineering, Laboratory of New Energy and New Function Materials, College of Chemistry and Chemical Engineering, Yan'an University, Yan'an, 716000, Shaanxi, China.
Yixia RenShaanxi Key Laboratory of Chemical Reaction Engineering, Laboratory of New Energy and New Function Materials, College of Chemistry and Chemical Engineering, Yan'an University, Yan'an, 716000, Shaanxi, China. renyixia1@163.com.

Funding

National Natural Science Foundation of China 22063010, 22463011
6 · The paper itself

Abstract

contextThis study explored the geometry, aromaticity, electrostatic potential, and fluorescence sensing capability of N,N'-dimethyl naphthodithiophene diimide (C

methodsIn this study, the Gaussian 09 software package at B3LYP-D3(BJ)/6-311 +  + G** level was applied to optimize the structure, energy, and fluorescence recovery time. Multiwfn combined with VMD software package was used to analyze the aromaticity of compounds using LOL-π and HOMA, with a focus on the differences in aromaticity after thiophene was substituted with different rings. Using AMBER force field for energy decomposition analysis based on force field (EDA-FF), the weak intermolecular interaction components are decomposed. The independent gradient model analysis based on Hirshfeld partition analysis clearly demonstrates the π-π interactions between molecules, with the δ

Indexed as

2,4,6-trinitrophenolDensity functional theoryFluorescence quenchingNaphthodithiophene diimidePhoto-induced electron transferRecovery time

Identifiers

PMID40299097

What OpenQuestion holds

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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.