Detection of multiple analytes (CN- and F-) based on a simple pyrazine-derived chemosensor in aqueous solution: Experimental and theoretical approaches

Jae Jun Lee; Gyeong Jin Park; Ye Won Choi; Ga Rim You; Yong Sung Kim; Sun Young Lee; Cheal Kim

doi:10.1016/j.snb.2014.10.081

Detection of multiple analytes (CN^- and F^-) based on a simple pyrazine-derived chemosensor in aqueous solution: Experimental and theoretical approaches

Jae Jun Lee
, Gyeong Jin Park
, Ye Won Choi
, Ga Rim You
, Yong Sung Kim
, Sun Young Lee
, Cheal Kim

Dept. of Fine Chemistry

Seoul National University of Science and Technology (SNUST)

Research output: Contribution to journal › Article › peer-review

55 Scopus citations

Abstract

A new colorimetric receptor 1 for the detection of CN^- and F^- has been simply developed. Receptor 1 showed selectively colorimetric responses to CN^- in a near-perfect aqueous solution and F^- in 10% aqueous solution, respectively. An obvious color change of 1 from yellow to colorless was observed for CN^- through a nucleophilic addition mechanism, while F^- was detected through deprotonating mechanism with a distinct color change from yellow to orange. The binding modes of receptor 1 with two analytes (CN^-and F^-) were proposed to be 1:1, based on Job plot, ¹H NMR titration, and ESI-mass spectrometry analysis. Moreover, the sensing mechanisms for F^- and CN^- were theoretically supported by DFT and TD-DFT calculation.

Original language	English
Pages (from-to)	123-132
Number of pages	10
Journal	Sensors and Actuators, B: Chemical
Volume	207
Issue number	Part A
DOIs	https://doi.org/10.1016/j.snb.2014.10.081
State	Published - Feb 2015

Keywords

Colorimetric
Cyanide
DFT calculations
Fluoride
Multiple analytes

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10.1016/j.snb.2014.10.081

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title = "Detection of multiple analytes (CN- and F-) based on a simple pyrazine-derived chemosensor in aqueous solution: Experimental and theoretical approaches",

abstract = "A new colorimetric receptor 1 for the detection of CN- and F- has been simply developed. Receptor 1 showed selectively colorimetric responses to CN- in a near-perfect aqueous solution and F- in 10\% aqueous solution, respectively. An obvious color change of 1 from yellow to colorless was observed for CN- through a nucleophilic addition mechanism, while F- was detected through deprotonating mechanism with a distinct color change from yellow to orange. The binding modes of receptor 1 with two analytes (CN-and F-) were proposed to be 1:1, based on Job plot, 1H NMR titration, and ESI-mass spectrometry analysis. Moreover, the sensing mechanisms for F- and CN- were theoretically supported by DFT and TD-DFT calculation.",

keywords = "Colorimetric, Cyanide, DFT calculations, Fluoride, Multiple analytes",

author = "Lee, \{Jae Jun\} and Park, \{Gyeong Jin\} and Choi, \{Ye Won\} and You, \{Ga Rim\} and Kim, \{Yong Sung\} and Lee, \{Sun Young\} and Cheal Kim",

year = "2015",

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doi = "10.1016/j.snb.2014.10.081",

language = "English",

volume = "207",

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journal = "Sensors and Actuators, B: Chemical",

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T1 - Detection of multiple analytes (CN- and F-) based on a simple pyrazine-derived chemosensor in aqueous solution

T2 - Experimental and theoretical approaches

AU - Lee, Jae Jun

AU - Park, Gyeong Jin

AU - Choi, Ye Won

AU - You, Ga Rim

AU - Kim, Yong Sung

AU - Lee, Sun Young

AU - Kim, Cheal

PY - 2015/2

Y1 - 2015/2

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AB - A new colorimetric receptor 1 for the detection of CN- and F- has been simply developed. Receptor 1 showed selectively colorimetric responses to CN- in a near-perfect aqueous solution and F- in 10% aqueous solution, respectively. An obvious color change of 1 from yellow to colorless was observed for CN- through a nucleophilic addition mechanism, while F- was detected through deprotonating mechanism with a distinct color change from yellow to orange. The binding modes of receptor 1 with two analytes (CN-and F-) were proposed to be 1:1, based on Job plot, 1H NMR titration, and ESI-mass spectrometry analysis. Moreover, the sensing mechanisms for F- and CN- were theoretically supported by DFT and TD-DFT calculation.

KW - Colorimetric

KW - Cyanide

KW - DFT calculations

KW - Fluoride

KW - Multiple analytes

UR - https://www.scopus.com/pages/publications/84910100887

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DO - 10.1016/j.snb.2014.10.081

M3 - Article

AN - SCOPUS:84910100887

SN - 0925-4005

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SP - 123

EP - 132

JO - Sensors and Actuators, B: Chemical

JF - Sensors and Actuators, B: Chemical

IS - Part A

ER -

Detection of multiple analytes (CN^- and F^-) based on a simple pyrazine-derived chemosensor in aqueous solution: Experimental and theoretical approaches

Abstract

Keywords

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