Pawan Kumar Sada , Amanpreet Kaur Jassal , Amit Bar , Prabhat Kumar , S. Srikrishna , Sumit Kumar , Alok Kumar Singh , Youngil Lee , Laxman Singh , Abhishek Rai
{"title":"基于罗丹明 6G 的新型探针的开发及其作为 Cu2+ 和 Fe3+ 离子光学传感器的应用：综合实验与理论研究","authors":"Pawan Kumar Sada , Amanpreet Kaur Jassal , Amit Bar , Prabhat Kumar , S. Srikrishna , Sumit Kumar , Alok Kumar Singh , Youngil Lee , Laxman Singh , Abhishek Rai","doi":"10.1016/j.microc.2024.111710","DOIUrl":null,"url":null,"abstract":"<div><div>A new rhodamine appended probe 3-allyl salicylaldehyde rhodamine hydrazone (<strong>RGAL</strong>) has been synthesized and thoroughly characterized using various spectroscopic techniques, as well as single crystal XRD. The optical properties of <strong>RGAL</strong> were investigated in 10 mM HEPES buffer in H<sub>2</sub>O:CH<sub>3</sub>CN (2:8, v/v, pH=7.2) in the presence of various cations. <strong>RGAL</strong> showed selectivity and sensitivity towards Cu<sup>2+</sup> during absorption process and “turn on” behavior towards Fe<sup>3+</sup> during emission study owing to the opening of a spirolactum ring. The detection limits for Cu<sup>2+</sup> and Fe<sup>3+</sup> ions using <strong>RGAL</strong> were determined to be 6.15 ppm and 4.75 ppm, respectively. The binding constant of <strong>RGAL</strong> with Cu<sup>2+</sup> and Fe<sup>3+</sup> ions was found to be 1.20 × 10<sup>4</sup> M<sup>−1</sup> and 1.71 × 10<sup>4</sup> M<sup>−1</sup>, respectively. Hirshfeld surface and fingerprint analysis of <strong>RGAL</strong> provides the in-depth analysis of pairwise interaction between two atoms. Furthermore, the topological analysis of <strong>RGAL</strong> is performed using NCI, AIM, ELF and LOL analysis. The analysis provides information about O78-H79…N71 and C40-H41…O77 hydrogen bonding interactions in the<!--> <!-->monomer of <strong>RGAL</strong> whereas various inter- and intra- molecular interactions give strength to the dimer pattern of <strong>RGAL</strong>.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"207 ","pages":"Article 111710"},"PeriodicalIF":4.9000,"publicationDate":"2024-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Development of a new rhodamine 6G based probe and its application as an optical sensor of Cu2+ and Fe3+ ions: A comprehensive experimental and Theoretical studies\",\"authors\":\"Pawan Kumar Sada , Amanpreet Kaur Jassal , Amit Bar , Prabhat Kumar , S. Srikrishna , Sumit Kumar , Alok Kumar Singh , Youngil Lee , Laxman Singh , Abhishek Rai\",\"doi\":\"10.1016/j.microc.2024.111710\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>A new rhodamine appended probe 3-allyl salicylaldehyde rhodamine hydrazone (<strong>RGAL</strong>) has been synthesized and thoroughly characterized using various spectroscopic techniques, as well as single crystal XRD. The optical properties of <strong>RGAL</strong> were investigated in 10 mM HEPES buffer in H<sub>2</sub>O:CH<sub>3</sub>CN (2:8, v/v, pH=7.2) in the presence of various cations. <strong>RGAL</strong> showed selectivity and sensitivity towards Cu<sup>2+</sup> during absorption process and “turn on” behavior towards Fe<sup>3+</sup> during emission study owing to the opening of a spirolactum ring. The detection limits for Cu<sup>2+</sup> and Fe<sup>3+</sup> ions using <strong>RGAL</strong> were determined to be 6.15 ppm and 4.75 ppm, respectively. The binding constant of <strong>RGAL</strong> with Cu<sup>2+</sup> and Fe<sup>3+</sup> ions was found to be 1.20 × 10<sup>4</sup> M<sup>−1</sup> and 1.71 × 10<sup>4</sup> M<sup>−1</sup>, respectively. Hirshfeld surface and fingerprint analysis of <strong>RGAL</strong> provides the in-depth analysis of pairwise interaction between two atoms. Furthermore, the topological analysis of <strong>RGAL</strong> is performed using NCI, AIM, ELF and LOL analysis. The analysis provides information about O78-H79…N71 and C40-H41…O77 hydrogen bonding interactions in the<!--> <!-->monomer of <strong>RGAL</strong> whereas various inter- and intra- molecular interactions give strength to the dimer pattern of <strong>RGAL</strong>.</div></div>\",\"PeriodicalId\":391,\"journal\":{\"name\":\"Microchemical Journal\",\"volume\":\"207 \",\"pages\":\"Article 111710\"},\"PeriodicalIF\":4.9000,\"publicationDate\":\"2024-09-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Microchemical Journal\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0026265X24018228\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, ANALYTICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Microchemical Journal","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0026265X24018228","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
Development of a new rhodamine 6G based probe and its application as an optical sensor of Cu2+ and Fe3+ ions: A comprehensive experimental and Theoretical studies
A new rhodamine appended probe 3-allyl salicylaldehyde rhodamine hydrazone (RGAL) has been synthesized and thoroughly characterized using various spectroscopic techniques, as well as single crystal XRD. The optical properties of RGAL were investigated in 10 mM HEPES buffer in H2O:CH3CN (2:8, v/v, pH=7.2) in the presence of various cations. RGAL showed selectivity and sensitivity towards Cu2+ during absorption process and “turn on” behavior towards Fe3+ during emission study owing to the opening of a spirolactum ring. The detection limits for Cu2+ and Fe3+ ions using RGAL were determined to be 6.15 ppm and 4.75 ppm, respectively. The binding constant of RGAL with Cu2+ and Fe3+ ions was found to be 1.20 × 104 M−1 and 1.71 × 104 M−1, respectively. Hirshfeld surface and fingerprint analysis of RGAL provides the in-depth analysis of pairwise interaction between two atoms. Furthermore, the topological analysis of RGAL is performed using NCI, AIM, ELF and LOL analysis. The analysis provides information about O78-H79…N71 and C40-H41…O77 hydrogen bonding interactions in the monomer of RGAL whereas various inter- and intra- molecular interactions give strength to the dimer pattern of RGAL.
期刊介绍：
The Microchemical Journal is a peer reviewed journal devoted to all aspects and phases of analytical chemistry and chemical analysis. The Microchemical Journal publishes articles which are at the forefront of modern analytical chemistry and cover innovations in the techniques to the finest possible limits. This includes fundamental aspects, instrumentation, new developments, innovative and novel methods and applications including environmental and clinical field.
Traditional classical analytical methods such as spectrophotometry and titrimetry as well as established instrumentation methods such as flame and graphite furnace atomic absorption spectrometry, gas chromatography, and modified glassy or carbon electrode electrochemical methods will be considered, provided they show significant improvements and novelty compared to the established methods.
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