Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy最新文献

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Synthesis and X-ray evaluation of 7 N-1S thiabendazole based 1,2,3-triazole as a dual metal sensing probe: Molecular logic gate construction, DFT analysis, real water sample analysis and catalytic activity investigation of its metal complexes. 基于1,2,3-三唑的7 N-1S噻唑双金属传感探针的合成及x射线评价:分子逻辑门构建、DFT分析、实水样分析及其金属配合物的催化活性研究。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-04-05 Epub Date: 2025-01-10 DOI: 10.1016/j.saa.2025.125737
Gurjaspreet Singh, Tsering Diskit, Akshpreet Singh, Necmi Dege, Seyhan Ozturk, Shweta Rana, Jaiveer Singh, Anurag Dalal, Swati Devi
{"title":"Synthesis and X-ray evaluation of 7 N-1S thiabendazole based 1,2,3-triazole as a dual metal sensing probe: Molecular logic gate construction, DFT analysis, real water sample analysis and catalytic activity investigation of its metal complexes.","authors":"Gurjaspreet Singh, Tsering Diskit, Akshpreet Singh, Necmi Dege, Seyhan Ozturk, Shweta Rana, Jaiveer Singh, Anurag Dalal, Swati Devi","doi":"10.1016/j.saa.2025.125737","DOIUrl":"10.1016/j.saa.2025.125737","url":null,"abstract":"<p><p>The research aimed to develop of a thiabendazole-derived dual metal sensing probe (TBZT) for the selective detection of metal ions and to explore its metal complexes in reducing environmental pollutants like nitro-phenol and dyes. Absorption and emission based studies predicted the selectivity and sensitivity of TBZT towards Ni(II) and Co(II) ions which was further validated by <sup>1</sup>HNMR, Mass, FT-IR, DFT, Docking, electrochemical, TGA studies and vibrating sample magnetometer analysis techniques. Limit of detection (LOD) values were calculated as 2 × 10<sup>-10</sup> M and 4.17 × 10<sup>-8</sup> M for Ni(II) metal ion in emission and absorption based techniques respectively and 2.8 × 10<sup>-9</sup> M and 4.5 × 10<sup>-6</sup> M for Co(II). EDTA based Reversible binding behaviour suggested its potential for constructing molecular logic gates. Catalytic studies of metal complexes of TBZT with these metals demonstrated TBZT-Co(II) superior activity in reducing nitro-phenol, rhodamine B and methyl red. Real sample analysis validated its capability for the environmental monitoring of these metal ions. This emphasized its potential application in metal ion detection and catalysis.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"330 ","pages":"125737"},"PeriodicalIF":0.0,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143019292","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Investigation into the vibrational characteristics of monolayered ruddlesden-popper compounds (Sr, Ba)2HfO4. (Sr, Ba)2HfO4单层牛皮化合物振动特性的研究。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-04-05 Epub Date: 2025-01-09 DOI: 10.1016/j.saa.2025.125730
Neenu Saini, Ruby Jindal, Archana Tripathi
{"title":"Investigation into the vibrational characteristics of monolayered ruddlesden-popper compounds (Sr, Ba)<sub>2</sub>HfO<sub>4</sub>.","authors":"Neenu Saini, Ruby Jindal, Archana Tripathi","doi":"10.1016/j.saa.2025.125730","DOIUrl":"10.1016/j.saa.2025.125730","url":null,"abstract":"<p><p>The analysis of Raman and Infrared (IR) phonons in monolayered tetragonal (Sr, Ba)<sub>2</sub>HfO<sub>4</sub> compounds, which exhibit D<sub>17</sub><sup>4h</sup> symmetry and belong to the I4/mmm phase of space group 139 with Z = 2, has been conducted using normal coordinates. The Sr<sub>2</sub>HfO<sub>4</sub> and Ba<sub>2</sub>HfO<sub>4</sub> compounds are the first members of the Ruddlesden-Popper (RP) series denoted as (Sr, Ba)<sub>n+1</sub>HfO<sub>3n+1</sub> with n = 1. Nine Short-Range Force Constants (SRFC) have been included in theoretical calculations to analyze the optical phonons of Sr<sub>2</sub>HfO<sub>4</sub> and Ba<sub>2</sub>HfO<sub>4</sub> compounds within the I4/mmm phase. The assignments of optical vibrational modes in (Sr, Ba)<sub>2</sub>HfO<sub>4</sub> compounds have been determined using Wilson's GF-Matrix Method and cross-referenced with data obtained from compounds sharing similar structural characteristics. The analysis also involved studying how the exchange of cation-A (A = Sr, Ba) impacts the lattice dynamics of the isostructural compounds A<sub>2</sub>HfO<sub>4</sub> (A = Sr, Ba) in monolayered tetragonal structures. In this analysis, a comparison has been made between the vibrational modes at the Zone Center, the force constants, and bond lengths to assess the influence of the cation exchange. Furthermore, for each normal mode in the Ruddlesden-Popper phase (Sr, Ba)<sub>2</sub>HfO<sub>4</sub>, the examination of Potential Energy Distribution (PED) sheds light on the significant impact exerted by Short-Range Force Constants on the calculated vibrational modes, providing a deeper understanding of their behavior and interactions.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"330 ","pages":"125730"},"PeriodicalIF":0.0,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143019198","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A portable paper-based surface enhanced Raman scattering platform for Al3+ sensing. 用于Al3+传感的便携式纸基表面增强拉曼散射平台。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-04-05 Epub Date: 2025-01-10 DOI: 10.1016/j.saa.2025.125742
Huiting Wang, Shun Li, Yaxian Chen, Ling Zhang, Qian Zhang
{"title":"A portable paper-based surface enhanced Raman scattering platform for Al<sup>3+</sup> sensing.","authors":"Huiting Wang, Shun Li, Yaxian Chen, Ling Zhang, Qian Zhang","doi":"10.1016/j.saa.2025.125742","DOIUrl":"10.1016/j.saa.2025.125742","url":null,"abstract":"<p><p>The adverse effects of Al<sup>3+</sup> ions on human health necessitate the development of ultra-sensitive detection methods for Al<sup>3+</sup> ions. In this regard, the compact and portable design of the detection substrate is of utmost importance for achieving in-situ and sensitive detection of Al<sup>3+</sup> ions. In our study, we have successfully developed a surface-enhanced Raman scattering (SERS) platform with gold nanoparticles (Au NPs) that was modified with histidine (His) and 4-mercaptobenzoic acid (4-MBA) for the SERS detection of Al<sup>3+</sup> ions. His and 4-MBA molecules are attached to the Au NPs through a co-assembly strategy. His with amino and carboxyl groups imparts the Au NPs with an aggregation effect against Al<sup>3+</sup> ions, while 4-MBA provides the SERS responsiveness. The coordination effect of Al<sup>3+</sup> ions leads to the aggregation of Au NPs, creating hot spots around the 4-MBA molecules and thereby enhancing the SERS signals. Based on this principle, we have constructed a SERS analysis method for detecting Al<sup>3+</sup> ions in solution. Furthermore, the paper-based plasmonic strips loaded with His-4-MBA-Au NPs have been successfully employed for the SERS detection of Al<sup>3+</sup> ions. These strips exhibit a significantly higher enhancement factor of 9.77 × 10<sup>6</sup> compared to the solution system, thanks to the physical aggregation of the strips. The Au NPs tend to generate localized electromagnetic hot spots on the surface of strips, playing a critical role in achieving superior SERS performance. The limit of detection (LOD) of His-4-MBA-Au NPs for Al<sup>3+</sup> detection is as low as 7.38 nM. The fabricated strips have also undergone repeatability testing and analysis of real samples. The established platform for the detection of Al<sup>3+</sup> ions holds great promise for portable and on-the-spot analysis.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"330 ","pages":"125742"},"PeriodicalIF":0.0,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143019105","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Exploration of biomass-derived carbon dots based on chestnut shell for the sensitive detection of phosphate and tetracycline hydrochloride. 基于板栗壳的生物质碳点用于磷酸盐和盐酸四环素敏感检测的探索。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-04-05 Epub Date: 2025-01-13 DOI: 10.1016/j.saa.2025.125746
Zirui Yin, Haowei Wang, Xiaodan Tang, Mengshi Mou, Hongmei Yu, Huiyong Wang
{"title":"Exploration of biomass-derived carbon dots based on chestnut shell for the sensitive detection of phosphate and tetracycline hydrochloride.","authors":"Zirui Yin, Haowei Wang, Xiaodan Tang, Mengshi Mou, Hongmei Yu, Huiyong Wang","doi":"10.1016/j.saa.2025.125746","DOIUrl":"10.1016/j.saa.2025.125746","url":null,"abstract":"<p><p>Phosphate pollution leads to the deterioration of water quality, posing a serious threat to human health. Tetracycline hydrochloride (TC), a class of broad-spectrum bacteriostatic agents, has garnered attention due to its extensive use and potential toxicity. Therefore, developing a highly selective and sensitive fluorescent probe for the detection of phosphates and TC is of significant importance. Herein, to enhance the conversion and utilization of high-value biomass waste, biomass-derived carbon dots (LZ-NCDs) emitting green fluorescence with a quantum yield of 44 % were synthesized in a one-step hydrothermal process using chestnut shell biomass waste as a carbon source and nitrogen doping technology. Based on the dynamic quenching mechanism, a highly sensitive method for effectively identifying PO<sub>4</sub><sup>3-</sup> using LZ-NCDs fluorescence probe was constructed, with a linear range of 0.1-10 µmol/L and a detection limit of 43.0 nmol/L. A quenched fluorescent probe, LZ-NCDs for the determination of TC, was fabricated through the synergistic effects of inner filter effect and static quenching, exhibiting a linear range from 0.05 to 10 µmol/L with a detection limit of 16.8 nmol/L. The successful determination of PO<sub>4</sub><sup>3-</sup> and TC in actual samples was achieved. The two different quenching mechanisms indicate that LZ-NCDs are expected to become potential sensing materials for the real-time monitoring of PO<sub>4</sub><sup>3-</sup> and TC in organisms and food, which is very important for our health.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"330 ","pages":"125746"},"PeriodicalIF":0.0,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143019151","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Modulating room-temperature phosphorescence of D-π-A luminogens via methyl substitution, positional isomerism, and host-guest doping. 通过甲基取代、位置异构和主客体掺杂调节D-π-A发光原的室温磷光。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-04-05 Epub Date: 2025-01-19 DOI: 10.1016/j.saa.2025.125763
Yang Zhu, Meiling Pan, Weirao Ji, Lei Ma, Yongtao Wang, Le Ruan
{"title":"Modulating room-temperature phosphorescence of D-π-A luminogens via methyl substitution, positional isomerism, and host-guest doping.","authors":"Yang Zhu, Meiling Pan, Weirao Ji, Lei Ma, Yongtao Wang, Le Ruan","doi":"10.1016/j.saa.2025.125763","DOIUrl":"10.1016/j.saa.2025.125763","url":null,"abstract":"<p><p>Organic room-temperature phosphorescence (RTP) luminogens have showed significant potential in the fields of diagnostics, sensing, and information encryption. However, it is difficult to achieve high RTP yield (Φ<sub>P</sub>) and long RTP lifetime simultaneously. By methyl substitution, positional isomerism, and host-guest doping, three new D-π-A type luminogens named as TBTDA, 2M-TBTDA, and 3M-TBTDA were designed and synthesized, whose RTP properties were tuned and optimized. In various solvents and glassy THF solution, similar solvatochromism and phosphorescence nature of three luminogens were revealed. In poly (methyl methacrylate) (PMMA) and polyvinyl alcohol (PVA) matrixes, the luminogens showed high-contrast RTP properties. TBTDA emitted invisible afterglow in PMMA films, but with strong RTP and long green afterglow in PVA films. More importantly, 2M-TBTDA showed RTP and afterglow lifetimes of 809.81 ms and 8 s, as well as Φ<sub>P</sub> of up to 0.64 in PMMA at 1 % doping concentration. Taking advantage of Foerster resonant energy transfer (FRET), reddish-brown or orange afterglow were observed, with emission maxima of 593-617 nm, RTP and afterglow lifetimes of 299-566 ms and 5-6 s, Φ<sub>P</sub> of 0.34-0.46, as well as FRET efficiency of 70-90 %. Finally, dynamic anti-counterfeiting and digital encryption were successfully constructed via different fluorescence, RTP colors, and afterglow lifetimes. This work not only obtained an efficient host-guest doping RTP system, but also can be expected to provide more theoretical guidance and experimental supports for molecular design, dynamic anti-counterfeiting and digital encryption.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"330 ","pages":"125763"},"PeriodicalIF":0.0,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143019201","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Dual-mode luminescence and colorimetric sensing for Al3+ and Fe2+/Fe3+ ions in water using a zinc coordination polymer. 锌配位聚合物对水中Al3+和Fe2+/Fe3+离子的双模发光和比色传感。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-04-05 Epub Date: 2025-01-07 DOI: 10.1016/j.saa.2025.125729
Jitti Suebphanpho, Akarapon Hasodsong, Paskorn Supprung, Jaursup Boonmak
{"title":"Dual-mode luminescence and colorimetric sensing for Al<sup>3+</sup> and Fe<sup>2+</sup>/Fe<sup>3+</sup> ions in water using a zinc coordination polymer.","authors":"Jitti Suebphanpho, Akarapon Hasodsong, Paskorn Supprung, Jaursup Boonmak","doi":"10.1016/j.saa.2025.125729","DOIUrl":"10.1016/j.saa.2025.125729","url":null,"abstract":"<p><p>A zinc(II) coordination polymer, [Zn(H<sub>2</sub>dhtp)(2,2'-bpy)(H<sub>2</sub>O)]<sub>n</sub> (1), has been utilized as a dual-mode luminescence-colorimetric sensor (H<sub>2</sub>dhtp<sup>2-</sup> = 2,5-dihydroxy terephthalate and 2,2'-bpy = 2,2'-bipyridine). The presence of hydroxyl groups in H<sub>2</sub>dhtp<sup>2-</sup> can promote excited-state intra- and intermolecular proton transfer (ESIPT) phenomena. Therefore, compound 1, which displays high stability in aqueous environments, exhibits a strong green-yellow photoluminescence. This luminescence signal can be considerably enhanced and blue-shifted upon the addition of Al<sup>3+</sup> ions with a limit of detection (LOD) of 0.15 μM, and it demonstrates significant resistance to interference from several competing metal ions. To demonstrate a practical application, 1@paper strips were fabricated that can visually detect the Al<sup>3+</sup> ion under a UV lamp. Moreover, 1 can detect either Fe<sup>2+</sup> or Fe<sup>3+</sup> ions in aqueous solutions by a visible color shift. Upon the incremental addition of Fe<sup>2+</sup> or Fe<sup>3+</sup> ions, the solution color changed from colorless to pink, exhibiting a pronounced absorption band at around 521 nm. The LODs were determined to be 1.55 and 0.34 μM for Fe<sup>2+</sup> and Fe<sup>3+</sup>, respectively. Furthermore, compound 1 was used for the determination of Fe<sup>3+</sup> ions in the real water samples, which can be evaluated on-site in real-time via a smartphone color-scanning application. The detection efficacy of 1 toward Al<sup>3+</sup> and Fe<sup>2+</sup>/Fe<sup>3+</sup> maintains significant luminescence stability and reusability.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"330 ","pages":"125729"},"PeriodicalIF":0.0,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142981117","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Unveiling next-generation organic photovoltaics: Quantum mechanical insights into non-fullerene donor-acceptor compounds. 揭示下一代有机光伏:非富勒烯供体-受体化合物的量子力学见解。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-04-05 Epub Date: 2025-01-10 DOI: 10.1016/j.saa.2025.125741
Zunaira Shafiq, Nadia Akram, Khalid Mahmood Zia, Saba Jamil, Songnan Li, Norah Alhokbany, Muhammad Ramzan Saeed Ashraf Janjua
{"title":"Unveiling next-generation organic photovoltaics: Quantum mechanical insights into non-fullerene donor-acceptor compounds.","authors":"Zunaira Shafiq, Nadia Akram, Khalid Mahmood Zia, Saba Jamil, Songnan Li, Norah Alhokbany, Muhammad Ramzan Saeed Ashraf Janjua","doi":"10.1016/j.saa.2025.125741","DOIUrl":"10.1016/j.saa.2025.125741","url":null,"abstract":"<p><p>Organic photovoltaics (OPVs) have improved greatly in recent years in pursuit for efficient and sustainable energy conversion methods. Specifically, utilizing quantum chemistry approaches such as density functional theory (DFT), the electronic structures, energy levels, and charge transport characteristics of donor-π-acceptor (D-π-A) systems based on non-fullerene donor and acceptor molecules have been examined and synthesized. Non-fullerene acceptors offer several advantages over traditional fullerene-based materials, such as enhanced light absorption, modifiable energy levels, and reduced recombination losses. Quantum mechanical simulations are helpful in the design and development of these materials because they can accurately predict the energy level alignment, molecule interactions, and charge transport properties needed for the high-efficiency of OPVs. The research begins through the selection of electron-donating and electron-accepting non-fullerene polymeric molecules using the unique properties of non-fullerene derivatives and non-fullerene acceptors. The theory uses the B3LYP-D3 method with a 6-31+G (d,p) basis set. PY-IT is used as the reference molecule, and eight molecules PY-IT01-PY-IT08, has been created by changing the end caps of the acceptor units. The created compound has superior photovoltaic characteristics. Focus has been specifically given to the frontier molecular orbitals (FMOs), natural bond order (NBO) analysis, reorganization energies (RE), and absorption spectra in order to assess the viability of charge separation and efficient light absorption. Finally, the molecular electrostatic potential (MEP) analysis, transition density matrix (TDM) analysis, and improved open circuit voltage (Voc) all have been computed. The results of the findings provide new insight to design organic solar cells (OSCs) with improved photovoltaic and solar energy conversion capabilities, which has great potential for the future development of more dependable and efficient OSCs.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"330 ","pages":"125741"},"PeriodicalIF":0.0,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143019298","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Nitrogen-doped carbon quantum dots from pumpkin for the sensing of nifuratel and temperature. 南瓜中氮掺杂碳量子点用于硝酸盐和温度的传感。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-04-05 Epub Date: 2025-01-19 DOI: 10.1016/j.saa.2025.125758
Zhifeng Cai, Yanan Li, Jinghong Li, Ziyue Zhang, Tian Yang, Shuying Yang
{"title":"Nitrogen-doped carbon quantum dots from pumpkin for the sensing of nifuratel and temperature.","authors":"Zhifeng Cai, Yanan Li, Jinghong Li, Ziyue Zhang, Tian Yang, Shuying Yang","doi":"10.1016/j.saa.2025.125758","DOIUrl":"10.1016/j.saa.2025.125758","url":null,"abstract":"<p><p>Herein, nitrogen doped carbon quantum dots (N-CQDs) were synthesized using a hydrothermal strategy. The raw materials for the preparation of N-CQDs were sourced from pumpkin and melamine. The N-CQDs suggested fascinating water solubility, favorable UV and salt resistance stability. The fluorescence quantum yield of N-CQDs was carried out to be 16.7 %. The prepared N-CQDs suggested good optical features and favorable blue fluorescence under a UV lamp (365 nm). The as-prepared N-CQDs could be employed as rapid, sensitive and promising fluorescence nanoprobes to detect nifuratel because of static quenching and inter filter effect. For nifuratel detection, the linear range of 0.5-100 μM and detection limit of 0.074 μM were obtained. Furthermore, N-CQDs were subsequently applied to determine nifuratel in river water and Yili milk samples with acceptable experiment results. Significantly, N-CQDs suggested evident temperature-sensitive characteristics and were employed as fluorescent temperature sensing nanoprobes.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"330 ","pages":"125758"},"PeriodicalIF":0.0,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143019215","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Coumarin 153, a solvatochromic fluorescent probe, for analyzing the biodiesel blends derived from various feedstocks.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-04-05 Epub Date: 2025-01-15 DOI: 10.1016/j.saa.2025.125755
Dineshbabu Takkella, Sudhanshu Sharma, Krishna Gavvala
{"title":"Coumarin 153, a solvatochromic fluorescent probe, for analyzing the biodiesel blends derived from various feedstocks.","authors":"Dineshbabu Takkella, Sudhanshu Sharma, Krishna Gavvala","doi":"10.1016/j.saa.2025.125755","DOIUrl":"10.1016/j.saa.2025.125755","url":null,"abstract":"<p><p>Biodiesel is renewable energy source an alternative to conventional fossil fuels. The primary concern lies in detecting alcohol content in biodiesel, which can either be intentionally added by adulterants or remain in trace amounts from the refining process of biodiesel synthesis. In order to regulate the quality of biodiesel production, it is crucial to develop an analytical method for monitoring alcohol content in biodiesel. Present study identified Coumarin 153 (C-153) with outstanding solvatochromic characteristics in multiple biodiesel feedstocks (soybean, canola, sesame, and corn). Based on our spectroscopic investigations, this alcohol (methanol, ethanol, and propanol) sensing method has proven to be rapid, sensitive, ratiometric, and visually discernible, and the detection limit for ethanol in soybean biodiesel could reach 0.23 % v/v. The percentage of alcohol (0-100 % v/v) in the biodiesel determines significant changes in the lifetime values of the C-153 from 5.1 ns to 0.35 ns. Moreover, we depict explicit solvation models (ethanol) and implicit solvation models (biodiesel) from quantum chemical calculations to explain the experimental results. Based on our study, C-153 with alcohol sensing capabilities seems to have potential applications in biodiesel analysis. The present results will inspire future efforts to simplify and optimize the detection of alcohol in biodiesel by using optical methods.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"330 ","pages":"125755"},"PeriodicalIF":0.0,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143030587","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
MUA-modified Au nanocluster-driven fluorescence sensor for chromatographic test strips-based visual detection of patulin. 基于mua修饰的Au纳米簇驱动荧光传感器用于色谱试纸条视觉检测展霉素。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-04-05 Epub Date: 2025-01-10 DOI: 10.1016/j.saa.2025.125736
Hongcheng Gao, Zhenzhen Xie, Shihao Xu, Changlong Jiang
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