Prediction of Sensor Ability Based on Chemical Formula: Possible Approaches and Pitfalls

Yarullin, Daniil N.; Завалишин, М. Н.; Гамов, Г. А.; Lukanov, Michail M.; Ksenofontov, Alexander A.; Bumagina, Natalia A.; Антина, Е. В.

doi:10.3390/inorganics11040158

Cited by 7 publications

(3 citation statements)

References 262 publications

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“…It can help researchers not only to find suitable sensors but also to develop new ones. This has greatly contributed to the progress of research in fluorescent probes [22].…”

Section: Introductionmentioning

confidence: 93%

Study of a Fluorescent System Based on the Naphthalene Derivative Fluorescent Probe Bound to Al3+

et al. 2023

Micromachines

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The naphthalene derivative fluorescent probe F6 was synthesized and a 1 × 10−3 mol/L solution of Al3+ and other metals to be tested was prepared for the subsequent experiments. The Al3+ fluorescence system of the naphthalene derivative fluorescent probe F6 was successfully constructed as demonstrated by fluorescence emission spectroscopy. The optimal time, temperature and pH of the reaction were investigated. The selectivity and anti-interference ability of the probe F6 for Al3+ were investigated by fluorescence spectroscopy in a methanol solution. The experiments showed that the probe has high selectivity and anti-interference ability for Al3+. The binding ratio of F6 to Al3+ was 2:1, and the binding constant was calculated to be 1.598 × 105 M−1. The possible mechanism of the binding of the two was speculated. Different concentrations of Al3+ were added to Panax Quinquefolium and Paeoniae Radix Alba. The results showed that the recoveries of Al3+ were 99.75–100.56% and 98.67–99.67%, respectively. The detection limit was 8.73 × 10−8 mol/L. The experiments demonstrated that the formed fluorescence system can be successfully adapted for the determination of Al3+ content in two Chinese herbal medicines, which has good practical application.

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“…It can help researchers not only to find suitable sensors but also to develop new ones. This has greatly contributed to the progress of research in fluorescent probes [22].…”

Section: Introductionmentioning

confidence: 93%

Study of a Fluorescent System Based on the Naphthalene Derivative Fluorescent Probe Bound to Al3+

et al. 2023

Micromachines

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“…As for Hg 2+ chemosensors, 7-hydroxy-4-methylcoumarin-8-carbaldehyde [ 27 ], (pyridin-2-ylmethoxy)-naphthalene-1-carbaldehyde [ 28 ], and thiophene-2-aldehyde [ 29 ] were used as receptors. Based on the results of predicting the sensing ability of organic compounds towards metal ions based on their chemical formulae, hydrazone derived from fluorescein and 4-methylthiazole-5-carbaldehyde was found to be a potential chemosensor for Hg 2+ ions [ 41 ] ( Figure S1 ). The aim of this study is to broaden the choice of available chemosensors based on fluorescein molecules.…”

Section: Introductionmentioning

confidence: 99%

Shedding Light on Heavy Metal Contamination: Fluorescein-Based Chemosensor for Selective Detection of Hg2+ in Water

Zavalishin,

Kiselev,

Isagulieva

et al. 2024

IJMS

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This article discusses the design and analysis of a new chemical chemosensor for detecting mercury(II) ions. The chemosensor is a hydrazone made from 4-methylthiazole-5-carbaldehyde and fluorescein hydrazide. The structure of the chemosensor was confirmed using various methods, including nuclear magnetic resonance spectroscopy, infrared spectroscopy with Fourier transformation, mass spectroscopy, and quantum chemical calculations. The sensor’s ability in the highly selective and sensitive discovery of Hg2+ ions in water was demonstrated. The detection limit for mercury(II) ions was determined to be 0.23 µM. The new chemosensor was also used to detect Hg2+ ions in real samples and living cells using fluorescence spectroscopy. Chemosensor 1 and its complex with Hg2+ demonstrate a significant tendency to enter and accumulate in cells even at very low concentrations.

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“…These assumptions are not suitable for accurately predicting real-time power generation in a SOFC stack. In contrast, constructing datadriven prediction models has the advantage of not requiring detailed knowledge of physical and chemical mechanism equations, thus avoiding the use of modeling software programs with high requirements for computer memory and graphics cards [12]. These models can be built using friendly tools such as MATLAB or Python, and the data-driven methods employed use black-box models, simplifying the technical difficulty.…”

Section: Introductionmentioning

confidence: 99%

A Single-Stack Output Power Prediction Method for High-Power, Multi-Stack SOFC System Requirements

Zhang,

Hu,

Zhao

et al. 2023

Inorganics

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The prediction of stack output power in solid oxide fuel cell (SOFC) systems is a key technology that urgently needs improvement, which will promote SOFC systems towards high-power multi-stack applications. The accuracy of power prediction directly determines the control effect and working condition recognition accuracy of the SOFC system controller. In order to achieve this goal, a genetic algorithm back propagation (GA-BP) neural network is constructed to predict output power in the SOFC system. By testing 40 sets of sample data collected from the experimental platform, it is found that the GA-BP method overcomes the limitation of the traditional back propagation (BP) method—falling into local optima. Further analysis shows that the average relative error of GA-BP has decreased to 1%. The reduction of the relative error improves the accuracy of the prediction results and the average prediction accuracy. Compared with the long short-term memory (LSTM) and BP algorithm, the GA-BP prediction model significantly reduces the relative error of power output prediction, which provides a solid foundation for multi-stack SOFC systems.

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Prediction of Sensor Ability Based on Chemical Formula: Possible Approaches and Pitfalls

Cited by 7 publications

References 262 publications

Study of a Fluorescent System Based on the Naphthalene Derivative Fluorescent Probe Bound to Al3+

Study of a Fluorescent System Based on the Naphthalene Derivative Fluorescent Probe Bound to Al3+

Shedding Light on Heavy Metal Contamination: Fluorescein-Based Chemosensor for Selective Detection of Hg2+ in Water

A Single-Stack Output Power Prediction Method for High-Power, Multi-Stack SOFC System Requirements

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