Evidence map›Paper›PMID 33686496›Full record

ArticleJournal of molecular modeling2021

A molecular design for a turn-off NIR fluoride chemosensor.

Xiaochen Wang, Tianxin Bai, Tianshu Chu

Abstract read
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In one paragraph

Article in Journal of molecular modeling, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing 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

3 citing papers in PubMed.

  1. Article
  2. Article
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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

3 authors.

Xiaochen WangInstitute of Molecular Sciences and Engineering, Shandong University, Qingdao, 266235, People's Republic of China.
Tianxin BaiInstitute of Molecular Sciences and Engineering, Shandong University, Qingdao, 266235, People's Republic of China.
Tianshu ChuSchool of Physics, Qingdao University, Qingdao, 266071, People's Republic of China. tschu008@163.com.ORCID http://orcid.org/0000-0002-3519-8737

Funding

National Natural Science Foundation of China 10874096Natural Science Foundation of Shandong Province ZR2014AM025
6 · The paper itself

Abstract

We designed a turn-off near-infrared fluorescent fluoride chemosensor NIR-BODIPY-Si through the density functional theory/time-dependent functional theory calculations. In the designed sensor, the tert-butyldimethylsilyloxy moiety responses to the fluoride-triggered desilylation process, and the BODIPY dye serves as fluorophore. The molecular design firstly showed that the possibility of photoinduced electron transfer is low/high in NIR-BODIPY-Si/NIR-BODIPY-O (the desilylation product), thus referring that the fluorescence sensing mechanism is a photoinduced electron transfer mechanism that quenched the sensor's fluorescence after detection of fluoride anions. Absorption and emission spectra further demonstrated that the designed sensor is a near-infrared chemosensor. The largest binding energy between NIR-BODIPY-Si and F

Indexed as

Boron CompoundsDensity Functional TheoryFluorescent DyesFluoridesSpectrometry, Fluorescence4,4-difluoro-4-bora-3a,4a-diaza-s-indaceneBoron CompoundsFluorescent DyesFluoridesDesilylation reactionFluoride anions detectionNear-infrared (NIR) fluorescent fluoride chemosensorPhotoinduced electron transfer (PET)Time-dependent density functional theory (TDDFT) calculations

Identifiers

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.