Theoretical study on the sensing mechanism of an ON1-OFF-ON2 type fluoride fluorescent chemosensor

Ding, Sha; Xu, Aixiang; Li, Mengyao; Sun, Aokui; Zhang, Zhe; Xia, Yafeng; Liu, Yuejun

doi:10.1016/j.saa.2020.118397

Cited by 19 publications

(11 citation statements)

References 45 publications

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“…The change in geometry causes increase in the charge, which decreases the π conjugation and steric repulsion between the neighboring rings. [ 56,65–69 ] For the 4D, the absence of a peak at the downfield and shifting of peaks at the upfield region agree well with the experimental observations (Figure 5). Therefore, it was concluded that F − deprotonates the chemosensor molecule in the S 0 state.…”

Section: Resultssupporting

confidence: 86%

Benzothiazole‐based chemosensor: a quick dip into its anion sensing mechanism

Kediya

Manhas

Jha

2021

J of Physical Organic Chem

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Density functional theory (DFT) and time‐dependent density functional theory (TD‐DFT) methods have been applied to decipher the F− anion sensing mechanism of a fluorescent probe N‐(2‐(benzothiazole‐2‐yl)phenyl)‐4‐methoxybenzamide (4). The amidic proton (N–H) of the selected probe may exhibit an intramolecular hydrogen bond (IMHB) with the nitrogen atom of benzothiazole moiety. The weak IMHB of N24–H26‐‐‐N12 in the excited state favors reverse proton transfer process in 4. In the ground state of 4, the F− anion interacts via F−‐‐‐H–N bond, which immediately deprotonates the amidic proton, leading to the distortion of the geometry. Subsequent to deprotonation, the significant intramolecular charge transfer (ICT) character was observed in 4. On account of the significant ICT process, the redshift in absorption and emission spectra was observed. These outcomes were employed to delineate the sensing mechanism of molecule 4.

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Section: Resultssupporting

confidence: 86%

Benzothiazole‐based chemosensor: a quick dip into its anion sensing mechanism

Kediya

Manhas

Jha

2021

J of Physical Organic Chem

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“…Among all kinds of detection methods, immunofluorescence detection is a technology with high sensitivity and easy to realize real-time diagnosis. In fluorescence immunoassays, fluorescent materials such as fluorescent dyes, quantum dots (QDs), upconversion nanoparticles (UCNPs), fluorescent microspheres, aggregationinduced emission (AIE) luminogens are labeled with antigens or antibodies to achieve quantification of analytes, which can be used in the combination of fluorescence immunoassay with microfluidic chips (Zhou L. et al, 2016;Mao et al, 2016;Zhou et al, 2017;Li et al, 2019;Tan et al, 2019;Xie et al, 2019;Ding et al, 2020;Zuo et al, 2020;Chen Y. et al, 2021;Gong et al, 2021). To improve the sensitivity of fluorescent microfluidic immunoassay, integration of nanostructures with microchannels is a promising approach.…”

Section: Fluorescent Microfluidic Immunoassaymentioning

confidence: 99%

Recent progress of microfluidic chips in immunoassay

Wang

et al. 2022

Front. Bioeng. Biotechnol.

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Microfluidic chip technology is a technology platform that integrates basic operation units such as processing, separation, reaction and detection into microchannel chip to realize low consumption, fast and efficient analysis of samples. It has the characteristics of small volume need of samples and reagents, fast analysis, low cost, automation, portability, high throughout, and good compatibility with other techniques. In this review, the concept, preparation materials and fabrication technology of microfluidic chip are described. The applications of microfluidic chip in immunoassay, including fluorescent, chemiluminescent, surface-enhanced Raman spectroscopy (SERS), and electrochemical immunoassay are reviewed. Look into the future, the development of microfluidic chips lies in point-of-care testing and high throughput equipment, and there are still some challenges in the design and the integration of microfluidic chips, as well as the analysis of actual sample by microfluidic chips.

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“…Thus, the ESIPT mechanism is considered to be one of the most efficient and promising methods for designing a fluorescent sensor for fluoride anion. Up to now, the fluoride-binding sites of fluorescent sensors have included pyrrole, amide, thiourea, Shiff base, as well as the hydroxyl unit of salicylaldehyde, which can provide N-H∙∙∙F and O-H∙∙∙F hydrogen bond donors [ 17 , 18 , 19 , 20 , 21 , 22 ].…”

Section: Introductionmentioning

confidence: 99%

A Theoretical Study of the Sensing Mechanism of a Schiff-Based Sensor for Fluoride

Ding

Xia

Lin

et al. 2022

Sensors

Self Cite

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In the current work, we studied the sensing process of the sensor (E)-2-((quinolin-8ylimino) methyl) phenol (QP) for fluoride anion (F–) with a “turn on” fluorescent response by density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations. The proton transfer process and the twisted intramolecular charge transfer (TICT) process of QP have been explored by using potential energy curves as functions of the distance of N-H and dihedral angle C-N=C-C both in the ground and the excited states. According to the calculated results, the fluorescence quenching mechanism of QP and the fluorescent response for F– have been fully explored. These results indicate that the current calculations completely reproduce the experimental results and provide compelling evidence for the sensing mechanism of QP for F–.

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Theoretical study on the sensing mechanism of an ON1-OFF-ON2 type fluoride fluorescent chemosensor

Cited by 19 publications

References 45 publications

Benzothiazole‐based chemosensor: a quick dip into its anion sensing mechanism

Benzothiazole‐based chemosensor: a quick dip into its anion sensing mechanism

Recent progress of microfluidic chips in immunoassay

A Theoretical Study of the Sensing Mechanism of a Schiff-Based Sensor for Fluoride

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