Journal of Fluorescence最新文献

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Construction of Hierarchical Star Like Morphology of NiO Nanosheets Having Superb Peroxidase Mimetic Properties for Effective Colorimetric H2O2 Sensing. 具有极好的过氧化物酶模拟性能的NiO纳米片的层次型星形结构的构建,用于有效的比色H2O2传感。
IF 3.1 4区 化学
Journal of Fluorescence Pub Date : 2025-08-26 DOI: 10.1007/s10895-025-04497-3
Mohib Ullah, Jasgurpreet Singh Chohan, Prakash Kanjariya, Asha Rajiv, Aman Shankhyan, Helen Merina Albert, Abdur Rahim, Vineet Tirth, Ali Algahtani, Li Zhengxin, Muslim Khan, Ruqia Nazir
{"title":"Construction of Hierarchical Star Like Morphology of NiO Nanosheets Having Superb Peroxidase Mimetic Properties for Effective Colorimetric H<sub>2</sub>O<sub>2</sub> Sensing.","authors":"Mohib Ullah, Jasgurpreet Singh Chohan, Prakash Kanjariya, Asha Rajiv, Aman Shankhyan, Helen Merina Albert, Abdur Rahim, Vineet Tirth, Ali Algahtani, Li Zhengxin, Muslim Khan, Ruqia Nazir","doi":"10.1007/s10895-025-04497-3","DOIUrl":"https://doi.org/10.1007/s10895-025-04497-3","url":null,"abstract":"<p><p>In this work, we have developed a novel and sensitive colorimetric sensor by the constructions of hierarchical star-like structure of exfoliated NiO called as NiO-ɤ catalyst with strong peroxidase mimetic properties. The as prepared sensor predicted highest sensing response with wider and linear range of 0.001-0.900 µM, having limit of detection (LOD) and limit of quantification (LOQ) values of 0.09 ± 0.05 nM and 0.63 ± 0.05 nM. In addition, it also manifests astonishing selectivity, ample stability, better reproducibility and excellent practicality. Thus, as a result we concluded that this method is simple, robust, color stable and reliable, and hence provides an effective colorimetric bio-sensing platform for biomedical-diagnosis.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144956767","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Photovoltaic Performance of Azo-Benzaldehyde Sensitizers in DSSCs: A DFT-Experimental Correlation. 偶氮苯甲醛增敏剂在DSSCs中的光伏性能:dft -实验相关性。
IF 3.1 4区 化学
Journal of Fluorescence Pub Date : 2025-08-26 DOI: 10.1007/s10895-025-04517-2
Ayşe Inan Duyar, Ayça Tanrıverdi, Gülfeza Kardaş, Esin Ispir
{"title":"Photovoltaic Performance of Azo-Benzaldehyde Sensitizers in DSSCs: A DFT-Experimental Correlation.","authors":"Ayşe Inan Duyar, Ayça Tanrıverdi, Gülfeza Kardaş, Esin Ispir","doi":"10.1007/s10895-025-04517-2","DOIUrl":"https://doi.org/10.1007/s10895-025-04517-2","url":null,"abstract":"<p><p>This study comprehensively investigates the photovoltaic performance and quantum chemical properties of newly synthesized azo dye-sensitized solar cells. A series of azo-aldehyde ligands, (E)-2-hydroxy-5-(p-tolydiazenyl)benzaldehyde (5), (E)-5-((4-fluorophenyl)diazenyl)-2-hydroxybenzaldehyde (6), (E)-5-((4-(tert-butyl)phenyl)diazenyl)-2-hydroxybenzaldehyde (7), (E)-2-hydroxy-5-(mesityldiazenyl)benzaldehyde (8) and their solar cells were fabricated. The ligand structures were elucidated by <sup>13</sup>C-NMR, <sup>1</sup>H-NMR, FTIR, UV-Visible spectroscopy. In organic dye sensitized solar cells, these azo dyes were used as sensitizers. TiO<sub>2</sub> film deposited on FTO conductive glass by doctor blade method was characterized by UV-Vis, FT-IR, FE-SEM and EDX analysis. Current-voltage (I-V) properties of solar cells were measured by a solar simulator. DSSCs used in our study were simple and inexpensive to produce. In the presence of an electron-withdrawing group such as 4-fluoroaniline, the highest efficiency was obtained with η (%) = 0.42 with Ligand 6, while the lowest efficiency was observed with η (%) = 0.32 with ligand 5. The chemical structure of the molecules was calculated using the density functional system (DFT) implemented in the Gaussian 16 W program [1]. HOMO and LUMO energies of ligands 5-8 were calculated at the theoretical level studied in the gas phase. Dipole moments were found to be in the range of 1,95081-5,861112 μ.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144956594","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Structural and Solvent Effects on the Photophysical Behavior of Pyridyl-Substituted 1,3,4-Oxadiazole Derivatives. 结构和溶剂对吡啶取代的1,3,4-恶二唑衍生物光物理行为的影响。
IF 3.1 4区 化学
Journal of Fluorescence Pub Date : 2025-08-25 DOI: 10.1007/s10895-025-04504-7
Simone da Silva Simões, Mário Sérgio Silva Oliveira, Ricardo Luiz Longo, Eduardo Henrique Lago Falcão
{"title":"Structural and Solvent Effects on the Photophysical Behavior of Pyridyl-Substituted 1,3,4-Oxadiazole Derivatives.","authors":"Simone da Silva Simões, Mário Sérgio Silva Oliveira, Ricardo Luiz Longo, Eduardo Henrique Lago Falcão","doi":"10.1007/s10895-025-04504-7","DOIUrl":"https://doi.org/10.1007/s10895-025-04504-7","url":null,"abstract":"<p><p>The photophysical properties of two pyridyl isomers of 1,3,4-oxadiazole, namely 2-(4-(dodecyloxy)phenyl)-5-(pyridin-3-yl)-1,3,4-oxadiazole (Oxa3py) and 2-(4-(dodecyloxy)phenyl)-5-(pyridin-4-yl)-1,3,4-oxadiazole (Oxa4py), were systematically investigated to elucidate the impact of molecular structure and different solvent environments on the ground and excited states. The effect of the pyridinic nitrogen position was evaluated in terms of solvatochromism, charge transfer properties, and aggregation behavior in methanol-water mixtures. Both compounds exhibit positive solvatochromism, showing a considerable bathochromic shift of 45 nm for Oxa3py and 66 nm for Oxa4py in their emission spectra obtained in carbon tetrachloride and dimethyl sulfoxide. The McRae-Bayliss model and the empirical Reichardt solvent polarity scale, E<sub>T</sub>(30), indicate that dipolar effects govern this behavior. The compounds formed aggregates in methanol-water mixtures, displaying a pronounced hypsochromic shift and a distinct influence on emission intensities. Time-dependent density functional theory (TD-DFT) calculations combined with natural transition orbitals (NTOs) analysis confirm the occurrence of intramolecular charge transfer from the dodecyloxyphenyl group to the pyridyl moiety. These findings provide fundamental insight into structure-property relationships and demonstrate how environmental factors and molecular architecture jointly modulate photophysical behavior. This knowledge contributes to the rational design of new optoelectronic materials based on simple heteroaromatic scaffolds.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144956680","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Reliable and Reproducible Protocol for Evaluating Detection Sensitivity in Bioimaging Systems Using Near-Infrared Fluorescent Dyes. 使用近红外荧光染料评估生物成像系统检测灵敏度的可靠和可重复的方案。
IF 3.1 4区 化学
Journal of Fluorescence Pub Date : 2025-08-25 DOI: 10.1007/s10895-025-04523-4
Qinglai Yan, Zhaotai Gu, Nana Li, Qinyuan Zhang, Siyue Wu, Haozhi Yang, Junyu Ren
{"title":"Reliable and Reproducible Protocol for Evaluating Detection Sensitivity in Bioimaging Systems Using Near-Infrared Fluorescent Dyes.","authors":"Qinglai Yan, Zhaotai Gu, Nana Li, Qinyuan Zhang, Siyue Wu, Haozhi Yang, Junyu Ren","doi":"10.1007/s10895-025-04523-4","DOIUrl":"https://doi.org/10.1007/s10895-025-04523-4","url":null,"abstract":"<p><p>The traditional method of establishing the relationship between fluorescence brightness and dye concentration through concentration gradient, and evaluating the sensitivity of imaging detection is too repetitive and cumbersome, and is obviously affected by handwork. Therefore, the reliability and reproducibility of the data are low. This work provides a standard concentration and imaging luminance relationship curve for equipment manufacturers through concentration preparation and detection quantification by authoritative institutions based on indocyanine green dye. It only needs to detect the excitation light power and simulated fluorescence radiation of the equipment in the imaging system, and find the relationship curve to obtain the relationship between \"radiation and concentration\" and \"signal-to-background ratio-concentration\", which can be used as a quantitative basis for the camera system. All operations can achieve traceability operation, which greatly reduces the human experimental error, and provides reliable evidence for the detection sensitivity evaluation of bioimaging system based on fluorescent dyes.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144956659","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Construction of S, O-Doped g-C3N4 QDs Encapsulated in Eu-MOF with Dual-Emission for Ratiometric Fluorescence Detection of Hg²⁺. 双发射Eu-MOF封装S, o掺杂g-C3N4量子点构建用于Hg 2 +的比例荧光检测
IF 3.1 4区 化学
Journal of Fluorescence Pub Date : 2025-08-25 DOI: 10.1007/s10895-025-04535-0
Jie Yao, Hongfang Chen, Xiaohua Yang, Muzaffar Iqbal, Wei Bian
{"title":"Construction of S, O-Doped g-C<sub>3</sub>N<sub>4</sub> QDs Encapsulated in Eu-MOF with Dual-Emission for Ratiometric Fluorescence Detection of Hg²⁺.","authors":"Jie Yao, Hongfang Chen, Xiaohua Yang, Muzaffar Iqbal, Wei Bian","doi":"10.1007/s10895-025-04535-0","DOIUrl":"https://doi.org/10.1007/s10895-025-04535-0","url":null,"abstract":"<p><p>Mercury ions (Hg<sup>2+</sup>) are categorized as environmental pollutants, which distributed in water, soil, and food systems due to environmental contamination. Hence, designing a sensitive assay for the convenient determination of Hg<sup>2+</sup> is of great importance. Herein, S and O-doped graphite phase nitrogenized carbon quantum dots (S, O-C<sub>3</sub>N<sub>4</sub>QDs) was encapsulated within a europium -based metal-organic framework (Eu-MOF) to construct a novel ratiometric fluorescent nanoprobe for the quantitative detection of Hg<sup>2+</sup>. The native emission of S, O-C<sub>3</sub>N<sub>4</sub>QDs at 445 nm is used as a response signal, while Eu-MOF with fluorescence offers a reference signal at 619 nm. Hg<sup>2+</sup> exhibits high affinity for the surface functional groups of S/O-C<sub>3</sub>N<sub>4</sub> QDs, forming non-fluorescent chelation complexes that induce static quenching. This results in significant attenuation of the fluorescence intensity at 445 nm, while the emission at 619 nm remains invariant. A ratiometric fluorescence sensing platform was established based on the intensity ratio (F<sub>445</sub>/F<sub>619</sub>) for the selective detection of Hg<sup>2+</sup>. The linear range of S, O-C<sub>3</sub>N<sub>4</sub>QDs/Eu-MOF of Hg<sup>2+</sup> was 0.25-35 µM and with a detection limit of 4.3 nM. The satisfying results demonstrate the effectiveness of the developed S, O-C<sub>3</sub>N<sub>4</sub>QDs/Eu-MOF-based fluorescence probe for Hg<sup>2+</sup> detection, highlighting its promising potential for environmental monitoring applications.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144956733","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Ultrasensitive Staphylococcal Enterotoxin B Quantum Dot-Based Lateral Flow Immunoassays for Rapid Testing of Poultry Rinsates and Milk. 基于量子点的超敏葡萄球菌肠毒素B横向流动免疫分析快速检测家禽粪便和牛奶。
IF 3.1 4区 化学
Journal of Fluorescence Pub Date : 2025-08-23 DOI: 10.1007/s10895-025-04526-1
Lance P Ford, Skyler B Sutton, Daniel R Mitchell, John G Bruno
{"title":"Ultrasensitive Staphylococcal Enterotoxin B Quantum Dot-Based Lateral Flow Immunoassays for Rapid Testing of Poultry Rinsates and Milk.","authors":"Lance P Ford, Skyler B Sutton, Daniel R Mitchell, John G Bruno","doi":"10.1007/s10895-025-04526-1","DOIUrl":"https://doi.org/10.1007/s10895-025-04526-1","url":null,"abstract":"<p><p>The use of highly fluorescent quantum dot labels in lateral flow test strips enhances sensitivity of these rapid, facile and popular handheld diagnostic devices over traditional colloidal gold or latex particle labels. In this work, we demonstrate apparent detection limits of 1.25 ppb (ng/ml) for the important foodborne biotoxin staphylococcal enterotoxin B (SEB) in chicken rinsate and 78 ppb (ng/ml) in whole milk both by visual and objective fluorometer readings with optimized lateral flow (LF) red quantum dot-based test strips in 15 min. The reader is a multifaceted fluorescent lateral flow camera-based system for fluorescent LF development and testing. While there may be SEB assays with even lower limits of detection, this work demonstrates that QDs were both less prone to matrix effects and were highly sensitive detection tags that can be combined with the speed and ease of use of LF test strips to aid in rapid detection of foodborne illness.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144956663","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Perylene-based Electron Transport Materials in Perovskite Solar Cells To Improve Power Conversion Efficiency. 钙钛矿太阳能电池中基于苝的电子传输材料提高功率转换效率。
IF 3.1 4区 化学
Journal of Fluorescence Pub Date : 2025-08-23 DOI: 10.1007/s10895-025-04512-7
Madiha Irfan, Aqsa Shafiq, Ayesha Rauf, Usama Mubeen, Asma Khursheed, Aamer Saeed
{"title":"Perylene-based Electron Transport Materials in Perovskite Solar Cells To Improve Power Conversion Efficiency.","authors":"Madiha Irfan, Aqsa Shafiq, Ayesha Rauf, Usama Mubeen, Asma Khursheed, Aamer Saeed","doi":"10.1007/s10895-025-04512-7","DOIUrl":"https://doi.org/10.1007/s10895-025-04512-7","url":null,"abstract":"<p><p>Perovskite solar cells (PSCs) are highly efficient and flexible; thus, they have garnered a lot of focus. In the past, many fullerene compounds, such as PCBM, were employed as electron transport layers in PSCs. PCBM has several drawbacks, including surface trapping states, limited electron mobility, poor photochemical as well as thermal stability, a low open-circuit voltage, and significant recombination losses. So, there was a great need to overcome these arising issues which were affecting the overall performance of the PSCs. Consequently, there started a great interest to develop non-fullerene-based materials which must have anti-properties and at last PDIs were discovered. Perylene diimides (PDIs) derivatives are the best examples of these kinds of materials which are practically originated from perylene. In this review article, we will talk about the different types of PDIs derivatives so that we can compare their open-circuit voltage (V<sub>oc</sub>), short-circuit current density (J<sub>sc</sub>), and fill factor (FF) values, among other things, and see how their substitutions affect their power conversion efficiencies (PCE) and stability. Here, we found that C3AI has best power conversion efficiency (PCE) of 20.3%. But PSCs that use PDIs have been able to convert power at a top rate of 25.6%. Based on our data, we can say that PDIs are promising ETL materials that can be changed in the future to make PSCs more efficient and stable.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144956605","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A Naked-Eye Fluorescent Probe for the Selective Detection of Hydrazine in Environmental and Biological Samples. 用于环境和生物样品中肼选择性检测的裸眼荧光探针。
IF 3.1 4区 化学
Journal of Fluorescence Pub Date : 2025-08-23 DOI: 10.1007/s10895-025-04496-4
Yangyang Guo, Chaoyue Wang, Ying Liu, Guangjin Zheng, Juan Meng
{"title":"A Naked-Eye Fluorescent Probe for the Selective Detection of Hydrazine in Environmental and Biological Samples.","authors":"Yangyang Guo, Chaoyue Wang, Ying Liu, Guangjin Zheng, Juan Meng","doi":"10.1007/s10895-025-04496-4","DOIUrl":"https://doi.org/10.1007/s10895-025-04496-4","url":null,"abstract":"<p><p>Monitoring the hydrazine (N<sub>2</sub>H<sub>4</sub>) level is essential for environmental and health safety, while traditional detection methods face challenges including low sensitivity, complex sample handling, and sophisticated operation. In this study, a novel fluorescent probe, ZNP, was designed and synthesized for tracking hydrazine in soils and river water. It was used for in situ monitoring of hydrazine generation in living cells. The optical performance guaranteed the high selectivity and reliable anti-interference. The most significant merit was a practical dynamic range for intuitive visualization. Additionally, the develop probe predominantly accumulated in lysosomes. Notably, ZNP integrated the fluorescent and visual signals, which enabled the naked-eye observation. This work acted as a significant step towards the practical tools for environmental toxicology applications.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144956660","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Balance Center Characteristic for Ultrafine Spectroscopic Analysis Using Rhodamine 6G Fluorescence Sensing as a Case Study. 罗丹明6G荧光传感超细光谱分析的平衡中心特性研究
IF 3.1 4区 化学
Journal of Fluorescence Pub Date : 2025-08-23 DOI: 10.1007/s10895-025-04480-y
Lubiao Wang, Weiwei Zhang, Linfang Wu, Feng Li, Mengyu Wang
{"title":"Balance Center Characteristic for Ultrafine Spectroscopic Analysis Using Rhodamine 6G Fluorescence Sensing as a Case Study.","authors":"Lubiao Wang, Weiwei Zhang, Linfang Wu, Feng Li, Mengyu Wang","doi":"10.1007/s10895-025-04480-y","DOIUrl":"https://doi.org/10.1007/s10895-025-04480-y","url":null,"abstract":"<p><p>Although Rhodamine 6G (R6G) has previously been considered insensitive to pH and stress, with no established applications in sensing these specific parameters, this article presents a breakthrough by re-evaluating its potential as active materials for temperature, pH, and stress sensing. This breakthrough is achieved by employing \"balance center\" instead of peak maximum or mean wavelength for characterizing the spectral emission band. To verify the improvement, R6G/resin composite samples were prepared. Then the balance center among all the spectral characteristics ensured the most precise identification of the fluorescence band shifts caused by any environmental changes onto the samples. Sensitivities of the prototype sensors with balance center output were calibrated as 0.0653(3) nm/°C in the range of 20 ~ 60 °C, 0.339(8) nm/pH in the pH range of 5.71 ~ 9.44, and - 0.63(2) nm/MPa (equivalently 18 cm<sup>-1</sup>/MPa) in the stress range of 0.07 ~ 1.43 MPa, respectively. Corresponding resolutions of the sensing systems were determined as 0.15 °C, 0.18 pH, and 0.03 MPa. These example sensors can be utilized in cytobiology research, demonstrating the potential for extensive sensing applications with a wide range of other fluorescent dyes.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144956751","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis, Absorption and Emission Behaviour, Solvation, AIM, Topology, and Docking Studies on 4-(((perfluorophenyl) methylene)amino)-N-(thiazol-2-yl) Benzene Sulfonamide. 4-((全氟苯基)亚甲基)氨基- n -(噻唑-2-基)苯磺酰胺的合成、吸收和发射行为、溶剂化、AIM、拓扑结构和对接研究。
IF 3.1 4区 化学
Journal of Fluorescence Pub Date : 2025-08-22 DOI: 10.1007/s10895-025-04479-5
V Tamilselvi, Aamal A Al-Mutairi, M Arivazhagan, S Manivel, Sobhi M Gomha, Sami A Al-Hussain, Magdi E A Zaki, Natarajan Elangovan
{"title":"Synthesis, Absorption and Emission Behaviour, Solvation, AIM, Topology, and Docking Studies on 4-(((perfluorophenyl) methylene)amino)-N-(thiazol-2-yl) Benzene Sulfonamide.","authors":"V Tamilselvi, Aamal A Al-Mutairi, M Arivazhagan, S Manivel, Sobhi M Gomha, Sami A Al-Hussain, Magdi E A Zaki, Natarajan Elangovan","doi":"10.1007/s10895-025-04479-5","DOIUrl":"https://doi.org/10.1007/s10895-025-04479-5","url":null,"abstract":"<p><p>This work aims to synthesize 4-(((perfluorophenyl) methylene)amino)-N-(thiazol-2-yl) benzene sulfonamide (PFTH) and characterize it using various instrumental techniques such as UV-visible (UV-vis), fluorescence, Fourier-transform-infrared (FTIR), Raman, and nuclear magnetic resonance (NMR) spectroscopy analyses, respectively. The density functional theory (DFT) calculations have been performed using correlation-consistent polarized valence double-zeta (cc-pVDZ) basis sets and Becke, 3-parameter Lee-Yang-Parr (B3LYP) functionals, respectively. In this study, we used Gauge-Including Atomic Orbitals (GIAO) to determine the computational techniques for nuclear magnetic resonance (<sup>13</sup>C NMR and <sup>1</sup>H NMR) spectroscopy. The C-S bond lengths have been measured as follows: C24-S8 = 1.75 Å, C27-S28 = 1.73 Å, and C17-S20 = 1.77 Å, respectively. A higher absorption wavelength (307 nm) has been observed in the gas phase due to the solvent interaction. The synthesized PFTH displays two emission peaks at the excitation wavelengths of 356 nm and 648 nm, respectively, in DMSO solvent. The calculated energy gap of about ~ 7.6047 eV in the gas phase has been determined using frontier molecular orbital (FMO) analysis. The estimated value is comparatively lower than that in the solvent environments, such as water, chloroform, and DMSO. Electrophilic and nucleophilic regions are revealed by the molecular electrostatic potential (MEP) of the PFTH. The natural bond orbital (NBO) analysis of the PFTH compound at LP(2)S28→π∗(C24-N25) had the highest stabilization energy (E(2)) value of about 47.87 kcal/mol. Topological analyses such as electron localization function (ELF), localized orbital locator (LOL), and average localized ionization energy (ALIE), respectively, were conducted in this study. In addition, non-covalent interaction (NCI) and atoms in molecules (AIM) studies revealed that hydrogen bonds formed between C15-H31 and N25. A molecular docking study was also performed on the molecules, and the lowest binding energy was observed at - 6.67 kcal/mol.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144956624","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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