Suprava Ghosh, Chandi C Malakar, Pallab Pahari, Ananta Kumar Atta
{"title":"水介质中碘离子和 Hg2+ 离子的酰胺/尿素基简单荧光测定受体:聚合诱导发射和 DFT 研究。","authors":"Suprava Ghosh, Chandi C Malakar, Pallab Pahari, Ananta Kumar Atta","doi":"10.1016/j.saa.2024.125134","DOIUrl":null,"url":null,"abstract":"<p><p>Herein, we report pyrene-tagged amide and urea-based sugar derivatives 1 and 2 in a simple synthetic pathway to recognize I<sup>-</sup> and Hg<sup>2+</sup> ions. Both molecules showed absorbance and fluorescence selectivity towards iodide ions in THF/H<sub>2</sub>O (7/3, v/v) medium. The selectivity and sensitivity of 2 for iodide ions are superior to 1 due to more H-bond donors in 2. Interestingly, fluorometric receptor 2 exhibited aggregation-induced emission (AIE) at higher pH with a remarkable fluorometric color change. The AIE phenomenon might be explained by the self-association of 2 after forming imine functionality in the alkali medium. The Stern-Volmer plot showed the fluorescence quenching constant of each receptor with an iodide ion and indicated the quenching pathway. The LODs of 1 and 2 for iodide ions were evaluated as 0.84 and 0.17 µM, respectively. The 1:1 binding stoichiometry of 1 or 2 with iodide was found from the Job plot and verified by measuring the complex mass. Further, the complexes of each receptor with I<sup>-</sup> ions can detect Hg<sup>2+</sup> ions selectively by fluorescence turn-on method with low sensitivities (LODs: 0.008 µM for 1 and 0.01 µM for 2). DFT results were used to understand the binding mode of receptors 1 and 2 with iodide ions and the quenching process in the aqueous THF medium. The real application of the receptors was established for the recovery of iodide and Hg<sup>2+</sup> ions from natural water samples.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"325 ","pages":"125134"},"PeriodicalIF":0.0000,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Amide/urea-based simple fluorometric receptors for iodide and Hg<sup>2+</sup> ions in aqueous medium: Aggregation induced emission and DFT studies.\",\"authors\":\"Suprava Ghosh, Chandi C Malakar, Pallab Pahari, Ananta Kumar Atta\",\"doi\":\"10.1016/j.saa.2024.125134\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Herein, we report pyrene-tagged amide and urea-based sugar derivatives 1 and 2 in a simple synthetic pathway to recognize I<sup>-</sup> and Hg<sup>2+</sup> ions. Both molecules showed absorbance and fluorescence selectivity towards iodide ions in THF/H<sub>2</sub>O (7/3, v/v) medium. The selectivity and sensitivity of 2 for iodide ions are superior to 1 due to more H-bond donors in 2. Interestingly, fluorometric receptor 2 exhibited aggregation-induced emission (AIE) at higher pH with a remarkable fluorometric color change. The AIE phenomenon might be explained by the self-association of 2 after forming imine functionality in the alkali medium. The Stern-Volmer plot showed the fluorescence quenching constant of each receptor with an iodide ion and indicated the quenching pathway. The LODs of 1 and 2 for iodide ions were evaluated as 0.84 and 0.17 µM, respectively. The 1:1 binding stoichiometry of 1 or 2 with iodide was found from the Job plot and verified by measuring the complex mass. Further, the complexes of each receptor with I<sup>-</sup> ions can detect Hg<sup>2+</sup> ions selectively by fluorescence turn-on method with low sensitivities (LODs: 0.008 µM for 1 and 0.01 µM for 2). DFT results were used to understand the binding mode of receptors 1 and 2 with iodide ions and the quenching process in the aqueous THF medium. The real application of the receptors was established for the recovery of iodide and Hg<sup>2+</sup> ions from natural water samples.</p>\",\"PeriodicalId\":94213,\"journal\":{\"name\":\"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy\",\"volume\":\"325 \",\"pages\":\"125134\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2025-01-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Spectrochimica acta. 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Amide/urea-based simple fluorometric receptors for iodide and Hg2+ ions in aqueous medium: Aggregation induced emission and DFT studies.
Herein, we report pyrene-tagged amide and urea-based sugar derivatives 1 and 2 in a simple synthetic pathway to recognize I- and Hg2+ ions. Both molecules showed absorbance and fluorescence selectivity towards iodide ions in THF/H2O (7/3, v/v) medium. The selectivity and sensitivity of 2 for iodide ions are superior to 1 due to more H-bond donors in 2. Interestingly, fluorometric receptor 2 exhibited aggregation-induced emission (AIE) at higher pH with a remarkable fluorometric color change. The AIE phenomenon might be explained by the self-association of 2 after forming imine functionality in the alkali medium. The Stern-Volmer plot showed the fluorescence quenching constant of each receptor with an iodide ion and indicated the quenching pathway. The LODs of 1 and 2 for iodide ions were evaluated as 0.84 and 0.17 µM, respectively. The 1:1 binding stoichiometry of 1 or 2 with iodide was found from the Job plot and verified by measuring the complex mass. Further, the complexes of each receptor with I- ions can detect Hg2+ ions selectively by fluorescence turn-on method with low sensitivities (LODs: 0.008 µM for 1 and 0.01 µM for 2). DFT results were used to understand the binding mode of receptors 1 and 2 with iodide ions and the quenching process in the aqueous THF medium. The real application of the receptors was established for the recovery of iodide and Hg2+ ions from natural water samples.