Srinath, Shivakumar Chillargikar, Omnath Patil, S M Hanagodimath
{"title":"4 NPMB香豆素分子电偶极矩的实验和理论估计及优先溶剂化、荧光猝灭的稳态分析。","authors":"Srinath, Shivakumar Chillargikar, Omnath Patil, S M Hanagodimath","doi":"10.1007/s10895-025-04331-w","DOIUrl":null,"url":null,"abstract":"<p><p>The fluorescence and absorption characteristics of coumarin 1-(4-nitro-phenoxymethyl)-benzo[f]-chromen-3-one (4NPMB) at room temperature are examined in a mixture of acetonitrile (ACN) and tetrahydrofuran (THF) as well as in a few pure organic solvents. The influence of pure liquids on spectral characteristics is examined using various theories. Ground and excited state electric dipole moments were computed employing theoretical and Solvatochromic approaches. The redshift and excited electric dipole moment value of a molecule indicates that the molecule has gone through the intermolecular charge transfer (ICT). Kamlet-Taft suggests that the 4NPMB molecule integrates the solvent by its hydrogen bonding parameter rather than the dielectric parameter. From Catalan linear regression, we found that solvent acidity (SA) and the polarizability (SP) of a solvent have much more influence compared to solvent basicity (SB) and di-polarity (SdP) on a molecule. According to the preferential solvation investigation, tetrahydrofuran dominates the system up to the bulk molar fraction of 0.31. Acetonitrile thereafter takes over, as shown by the value of the preferential solvation constant ( <math> <mrow><msub><mi>M</mi> <mn>12</mn></msub> <mrow><mo>)</mo></mrow> </mrow> </math> . Fluorescence quenching of physiologically active fluorescent probe examined by using aniline as a quencher in various solvents. According to the fluorescence quenching investigation, the Stern-Volmer plot in solvents with varying dielectric constants exhibits a linear dependency, revealing that quenching responses are dynamic in nature. Different types of quenching associated with the reaction have been found, and their corresponding quenching parameters have been evaluated.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":""},"PeriodicalIF":2.6000,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Experimental and Theoretical Approach to Estimate Electric Dipole Moments and Analysis of Preferential Solvation, Fluorescence Quenching of 4 NPMB Coumarin Molecule by Steady State Method.\",\"authors\":\"Srinath, Shivakumar Chillargikar, Omnath Patil, S M Hanagodimath\",\"doi\":\"10.1007/s10895-025-04331-w\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>The fluorescence and absorption characteristics of coumarin 1-(4-nitro-phenoxymethyl)-benzo[f]-chromen-3-one (4NPMB) at room temperature are examined in a mixture of acetonitrile (ACN) and tetrahydrofuran (THF) as well as in a few pure organic solvents. The influence of pure liquids on spectral characteristics is examined using various theories. Ground and excited state electric dipole moments were computed employing theoretical and Solvatochromic approaches. The redshift and excited electric dipole moment value of a molecule indicates that the molecule has gone through the intermolecular charge transfer (ICT). Kamlet-Taft suggests that the 4NPMB molecule integrates the solvent by its hydrogen bonding parameter rather than the dielectric parameter. From Catalan linear regression, we found that solvent acidity (SA) and the polarizability (SP) of a solvent have much more influence compared to solvent basicity (SB) and di-polarity (SdP) on a molecule. According to the preferential solvation investigation, tetrahydrofuran dominates the system up to the bulk molar fraction of 0.31. Acetonitrile thereafter takes over, as shown by the value of the preferential solvation constant ( <math> <mrow><msub><mi>M</mi> <mn>12</mn></msub> <mrow><mo>)</mo></mrow> </mrow> </math> . Fluorescence quenching of physiologically active fluorescent probe examined by using aniline as a quencher in various solvents. According to the fluorescence quenching investigation, the Stern-Volmer plot in solvents with varying dielectric constants exhibits a linear dependency, revealing that quenching responses are dynamic in nature. Different types of quenching associated with the reaction have been found, and their corresponding quenching parameters have been evaluated.</p>\",\"PeriodicalId\":15800,\"journal\":{\"name\":\"Journal of Fluorescence\",\"volume\":\" \",\"pages\":\"\"},\"PeriodicalIF\":2.6000,\"publicationDate\":\"2025-05-13\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Fluorescence\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1007/s10895-025-04331-w\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"BIOCHEMICAL RESEARCH METHODS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Fluorescence","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1007/s10895-025-04331-w","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"BIOCHEMICAL RESEARCH METHODS","Score":null,"Total":0}
Experimental and Theoretical Approach to Estimate Electric Dipole Moments and Analysis of Preferential Solvation, Fluorescence Quenching of 4 NPMB Coumarin Molecule by Steady State Method.
The fluorescence and absorption characteristics of coumarin 1-(4-nitro-phenoxymethyl)-benzo[f]-chromen-3-one (4NPMB) at room temperature are examined in a mixture of acetonitrile (ACN) and tetrahydrofuran (THF) as well as in a few pure organic solvents. The influence of pure liquids on spectral characteristics is examined using various theories. Ground and excited state electric dipole moments were computed employing theoretical and Solvatochromic approaches. The redshift and excited electric dipole moment value of a molecule indicates that the molecule has gone through the intermolecular charge transfer (ICT). Kamlet-Taft suggests that the 4NPMB molecule integrates the solvent by its hydrogen bonding parameter rather than the dielectric parameter. From Catalan linear regression, we found that solvent acidity (SA) and the polarizability (SP) of a solvent have much more influence compared to solvent basicity (SB) and di-polarity (SdP) on a molecule. According to the preferential solvation investigation, tetrahydrofuran dominates the system up to the bulk molar fraction of 0.31. Acetonitrile thereafter takes over, as shown by the value of the preferential solvation constant ( . Fluorescence quenching of physiologically active fluorescent probe examined by using aniline as a quencher in various solvents. According to the fluorescence quenching investigation, the Stern-Volmer plot in solvents with varying dielectric constants exhibits a linear dependency, revealing that quenching responses are dynamic in nature. Different types of quenching associated with the reaction have been found, and their corresponding quenching parameters have been evaluated.
期刊介绍:
Journal of Fluorescence is an international forum for the publication of peer-reviewed original articles that advance the practice of this established spectroscopic technique. Topics covered include advances in theory/and or data analysis, studies of the photophysics of aromatic molecules, solvent, and environmental effects, development of stationary or time-resolved measurements, advances in fluorescence microscopy, imaging, photobleaching/recovery measurements, and/or phosphorescence for studies of cell biology, chemical biology and the advanced uses of fluorescence in flow cytometry/analysis, immunology, high throughput screening/drug discovery, DNA sequencing/arrays, genomics and proteomics. Typical applications might include studies of macromolecular dynamics and conformation, intracellular chemistry, and gene expression. The journal also publishes papers that describe the synthesis and characterization of new fluorophores, particularly those displaying unique sensitivities and/or optical properties. In addition to original articles, the Journal also publishes reviews, rapid communications, short communications, letters to the editor, topical news articles, and technical and design notes.