Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy最新文献

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Dual-Fermi-level hydrogel SERS substrates for synergistic chemical and physical enhancement 双费米水平水凝胶SERS底物的协同化学和物理增强
IF 4.6 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-10-06 DOI: 10.1016/j.saa.2025.127027
Jiadan Zhang , Baiwen Wei , Jingwen Zhang , Pengzhao Wang , Jiefeng Rong , Fengfu Fu , Zhenyu Lin , Yongqiang Dong
{"title":"Dual-Fermi-level hydrogel SERS substrates for synergistic chemical and physical enhancement","authors":"Jiadan Zhang ,&nbsp;Baiwen Wei ,&nbsp;Jingwen Zhang ,&nbsp;Pengzhao Wang ,&nbsp;Jiefeng Rong ,&nbsp;Fengfu Fu ,&nbsp;Zhenyu Lin ,&nbsp;Yongqiang Dong","doi":"10.1016/j.saa.2025.127027","DOIUrl":"10.1016/j.saa.2025.127027","url":null,"abstract":"<div><div>Surface enhanced Raman scattering (SERS) hydrogel substrates face limitations in chemical enhancement (CM) due to the single-metal Fermi level, restricting analyte detection. Herein, negatively charged silver nanoparticles (AgNPs) and positively charged gold nanoparticles (AuNPs) were engineered into bimetallic hydrogel substrates (AgNPs@AuNPs-chips). The obtained AgNPs@AuNPs-chips exhibited a strong localized surface plasmon resonance (LSPR) peak matching the 785 nm laser for significant electromagnetic (EM) enhancement, while the dual Fermi levels (−4.26 eV for Ag, −5.10 eV for Au) enabled more photo-induced charge transfer (PICT) pathways for CM. Compared to monometallic AgNPs-chips with similar LSPR properties, the bimetallic chips demonstrated better synergistic EM/CM effects for some molecules. When applied to detect maleic hydrazide (MH), the chips achieved a limit of quantitation of 10 ppb, surpassing prior AgNPs-chip methods (100 ppb). Successful quantitative analysis of MH in real-world samples with good recovery demonstrated the substrate's practicality. This work pioneers dual-Fermi-level colloidal interfacial design, expanding SERS applicability in food safety.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"347 ","pages":"Article 127027"},"PeriodicalIF":4.6,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263188","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Mechanistic insights into AIEE active levofloxacin for 4-nitrophenol sensing: A combined experimental and DFT/TD-DFT study with on-site applications AIEE活性左氧氟沙星对4-硝基酚传感的机理:一项结合实验和DFT/TD-DFT的现场应用研究
IF 4.6 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-10-06 DOI: 10.1016/j.saa.2025.127028
Saleh S. Alarfaji , Khanzadi Omama Khan , Tayyeba Javid , Sohail Anjum Shahzad
{"title":"Mechanistic insights into AIEE active levofloxacin for 4-nitrophenol sensing: A combined experimental and DFT/TD-DFT study with on-site applications","authors":"Saleh S. Alarfaji ,&nbsp;Khanzadi Omama Khan ,&nbsp;Tayyeba Javid ,&nbsp;Sohail Anjum Shahzad","doi":"10.1016/j.saa.2025.127028","DOIUrl":"10.1016/j.saa.2025.127028","url":null,"abstract":"<div><div>The photophysical properties of the FDA-approved drug levofloxacin (<strong>LFX</strong>) were studied, and its exquisite emission response at higher wavelengths prompted us to utilize it as a sensor against hazardous chemicals in the environment. <strong>LFX</strong> was fairly soluble in DMF and showed the maximum absorption (λ<sub>abs</sub>) at 300 nm wavelength and maximum emission (λ<sub>max</sub>) at 500 nm wavelength experimentally. Both the emission and absorption of <strong>LFX</strong> were also theoretically examined through TD-DFT calculations, and the results were compared. <strong>LFX</strong> exhibits solvatochromism as its wavelength changes in the presence of various solvents. The emission of <strong>LFX</strong> was also checked in varying water fractions (0˗90 %), and its emission response demonstrates it as an AIEE active molecule, as its emission intensity is enhanced in the presence of water. The fluorescence titration experiment of <strong>LFX</strong> was performed against various NACs, metal ions, and anions to check its sensing capability under the similar conditions DMF: H<sub>2</sub>O (1:7, <em>v</em>/v) as utilized for 4-NP. The <strong>LFX</strong> intensity was quenched only upon the interaction of 4-NP and showed a limit of detection of 204 nM. UV–<em>Vis</em>. <sup>1</sup>H NMR titration experiments were also performed to investigate the type of interaction between 4-NP and <strong>LFX</strong>. Furthermore, theoretical calculations were performed to study various electronic properties of <strong>LFX</strong> and <strong>LFX</strong>@4-NP including density of state (DOS) electron density difference (EDD) and the type of interactions were elucidated by performing the non-covalent interaction (NCIs) analysis. Moreover, the sensor <strong>LFX</strong> was practically utilized in sensing the 4-NP in a real water sample, which showed a 96 % quenching efficiency.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"347 ","pages":"Article 127028"},"PeriodicalIF":4.6,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263186","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 lysosome-targeted fluorescent probe for ratiometric imaging of in vitro and in vivo 一种用于体内和体外比例成像的溶酶体靶向荧光探针
IF 4.6 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-10-05 DOI: 10.1016/j.saa.2025.127012
Xinyue Zhao , Yixu Zhao , Jianhong Liu , Haowen Zhou , Xudong Li , Guorui Zheng , Xibin Zhou , Zhongfu Zuo
{"title":"A lysosome-targeted fluorescent probe for ratiometric imaging of in vitro and in vivo","authors":"Xinyue Zhao ,&nbsp;Yixu Zhao ,&nbsp;Jianhong Liu ,&nbsp;Haowen Zhou ,&nbsp;Xudong Li ,&nbsp;Guorui Zheng ,&nbsp;Xibin Zhou ,&nbsp;Zhongfu Zuo","doi":"10.1016/j.saa.2025.127012","DOIUrl":"10.1016/j.saa.2025.127012","url":null,"abstract":"<div><div>Peroxynitrite (ONOO<sup>−</sup>) dysregulation is closely linked to the pathogenesis of various inflammatory diseases, making accurate real-time monitoring of ONOO<sup>−</sup> levels in specific subcellular compartments critical for elucidating its molecular mechanisms and enabling early disease diagnosis. Herein, we report Ro-Np, a novel lysosome-targeted ratiometric fluorescent probe based on Förster Resonance Energy Transfer (FRET) for specific ONOO<sup>−</sup> detection. This probe employs 5-carboxytetramethylrhodamine (Ro) and naphthalimide (Np) as fluorophores, integrates a pyrrolidine group for precise lysosome targeting, and utilizes a phenylhydrazine moiety as the ONOO<sup>−</sup>-responsive site. Biochemical evaluations demonstrate that Ro-Np exhibits rapid ONOO<sup>−</sup> detection (within 10 min), high sensitivity (limit of detection = 80 nM), excellent selectivity against other reactive species and biological interferents, and strong anti-interference capability. In the presence of high concentrations of biological thiols (Glutathione (GSH), Cysteine <strong>(</strong>Cys), Homocysteine <strong>(</strong>Hcy)), which partially reduce fluorescence intensity but do not disrupt its core ratiometric feature. Cellular colocalization experiments confirm its specific lysosome-targeting property with a high Pearson's correlation coefficient of 0.85. Importantly, Ro-Np successfully detects both endogenous ONOO<sup>−</sup> (induced by Lipopolysaccharide (LPS)/Interferon-γ (IFN-γ)/Phorbol-12-myristate-13-acetate (PMA)) and exogenous ONOO<sup>−</sup> (induced by 3-morpholino-sydnonimine (SIN-1)) in BV-2 microglial cells, with reversible fluorescence changes upon ONOO<sup>−</sup> scavenging by minocycline. Furthermore, the probe shows reliable imaging performance in live mouse models, where distinct green-to-red fluorescence shifts are observed in ONOO<sup>−</sup>-treated tissues. Additionally, two-photon imaging in a lipopolysaccharide (LPS)-induced neuroinflammatory mouse model revealed enhanced ONOO<sup>−</sup> levels in brain tissues, demonstrating the probe's capability for high signal-to-noise and high-resolution visualization of ONOO<sup>−</sup> in deep tissues. These findings validate Ro-Np as a promising chemical tool for lysosome-targeted ONOO<sup>−</sup> detection in biological systems, with potential for investigating lysosome-related ONOO<sup>−</sup> functions and supporting inflammatory disease research.</div><div>© 2025 Elsevier Ltd. All rights reserved.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"347 ","pages":"Article 127012"},"PeriodicalIF":4.6,"publicationDate":"2025-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263187","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Spectroscopic and nonlinear optical investigations of nitroisoxazoles: host–guest interactions with β-cyclodextrin and DFT-supported stability analysis 硝基异恶唑的光谱和非线性光学研究:与β-环糊精的主客体相互作用和dft支持的稳定性分析
IF 4.6 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-10-05 DOI: 10.1016/j.saa.2025.126984
Cristian Rojas-Peña , Efraín Polo-Cuadrado , David Villaman , Ana Liempi , Matías Zúñiga-Bustos , Fabián Martínez-Gómez , Jorge Saavedra-Olavarría , Edwin G. Pérez , Juan D. Maya , Claudio Olea-Azar , Mauricio Moncada-Basualto
{"title":"Spectroscopic and nonlinear optical investigations of nitroisoxazoles: host–guest interactions with β-cyclodextrin and DFT-supported stability analysis","authors":"Cristian Rojas-Peña ,&nbsp;Efraín Polo-Cuadrado ,&nbsp;David Villaman ,&nbsp;Ana Liempi ,&nbsp;Matías Zúñiga-Bustos ,&nbsp;Fabián Martínez-Gómez ,&nbsp;Jorge Saavedra-Olavarría ,&nbsp;Edwin G. Pérez ,&nbsp;Juan D. Maya ,&nbsp;Claudio Olea-Azar ,&nbsp;Mauricio Moncada-Basualto","doi":"10.1016/j.saa.2025.126984","DOIUrl":"10.1016/j.saa.2025.126984","url":null,"abstract":"<div><div>Six vinyl-functionalized nitroisoxazole derivatives (A1–A6) were synthesized and structurally characterized, including the first report of compound A6. Their inclusion complexation with β-cyclodextrin (β-CD) was investigated using UV–Vis spectroscopy, <sup>1</sup>H NMR (including T₁ and T₂ relaxation times), and thermodynamic analyses. Complex formation was confirmed using Job's and Benesi–Hildebrand methods, with spontaneous binding observed across the series (ΔG: −3.73 –4.01 kcal/mol). A3 (piperidine) and A2 (pyrrolidine) exhibited the highest affinities, which were predominantly driven by entropic and enthalpic contributions, respectively. NMR data supported the axial insertion of the isoxazole moiety through the wider rim of β-CD in all cases. The electronic and nonlinear optical (NLO) properties of the free compounds were evaluated via DFT (M06-2×/6–311++G(d,p)), revealing that heterocyclic substituents modulate electron affinity and electrophilicity. All the derivatives displayed promising NLO responses, highlighting their potential for optoelectronic material design. The cytotoxicity assays in Vero cells showed low toxicity at 400 μM for all compounds, which further decreased upon β-CD encapsulation. These findings demonstrated that β-CD complexation can effectively modulate the physicochemical, optical, electronic, and biological properties of nitroisoxazoles, supporting their application in supramolecular systems and functional optical materials.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"347 ","pages":"Article 126984"},"PeriodicalIF":4.6,"publicationDate":"2025-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263189","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Engineering of a ratiometric upconversion luminescence nanoprobe based on competition effect for precisely monitoring L-arginine in red wines 基于竞争效应的比例上转换发光纳米探针用于红酒中l -精氨酸的精确监测。
IF 4.6 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-10-05 DOI: 10.1016/j.saa.2025.127026
Xuemei Dong , Xuan Xiao , Tian Liang , Yongxiang Su , Fabao Luo , Keying Zhang , Yujie Ding
{"title":"Engineering of a ratiometric upconversion luminescence nanoprobe based on competition effect for precisely monitoring L-arginine in red wines","authors":"Xuemei Dong ,&nbsp;Xuan Xiao ,&nbsp;Tian Liang ,&nbsp;Yongxiang Su ,&nbsp;Fabao Luo ,&nbsp;Keying Zhang ,&nbsp;Yujie Ding","doi":"10.1016/j.saa.2025.127026","DOIUrl":"10.1016/j.saa.2025.127026","url":null,"abstract":"<div><div>L-arginine (L-Arg) is a conditionally essential amino acid with multiple physiological functions, and also serves as a key factor in the quality control of red wine. However, selective detection of L-Arg in red wine still remains challenge due to red wine containing a variety of amino acids. Therefore, developing methods with high selectivity for L-Arg quantitative detection is crucial for red wine quality control. Herein, a ratiometric L-Arg upconversion luminescence nanoprobe was designed by assembling cresyl violet (CV) onto the surface of citrate-functionalized upconversion nanoparticles (Cit-UCNPs) through electrostatic interaction to form UCNPs@CV. In which, the UCNPs and CV was employed as energy donor and acceptor, respectively. Under 980 nm excitation, luminescence resonance energy transfer (LRET) occurred, quenching the UCNPs emission at 540 nm and activating the CV emission at 620 nm. In the presence of L-Arg, CV on the surface of Cit-UCNPs could be displaced by L-Arg via the specific interaction between the guanidine group of L-Arg and the carboxyl group of Cit, which interrupted the LRET. As a result, the emission of UCNPs at 540 nm was recovered, and the emission of CV at 620 nm was weakened. Moreover, the ratio of I<sub>540</sub>/I<sub>620</sub> exhibited a good linear relationship with L-Arg concentration, and allowing for high selectively and sensitively detecting L-Arg with a limit of detection (LOD) 0.079 μM (S/N<em>=</em> <em>3</em>). More importantly, the proposed nanoprobe could successfully detect L-Arg in different types of red wines, holding potential application in the field of red wine quality control.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"347 ","pages":"Article 127026"},"PeriodicalIF":4.6,"publicationDate":"2025-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145260442","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
β-nitrostyrene as a novel spectroscopic probe for measuring nucleophilicity β-硝基苯乙烯作为一种测量亲核性的新型光谱探针。
IF 4.6 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-10-04 DOI: 10.1016/j.saa.2025.127014
Meysam Aryafard , Mahfam Chalaki , Mohammadjavad Jahanshahi , Elham Ghanbarnezhad Baniani
{"title":"β-nitrostyrene as a novel spectroscopic probe for measuring nucleophilicity","authors":"Meysam Aryafard ,&nbsp;Mahfam Chalaki ,&nbsp;Mohammadjavad Jahanshahi ,&nbsp;Elham Ghanbarnezhad Baniani","doi":"10.1016/j.saa.2025.127014","DOIUrl":"10.1016/j.saa.2025.127014","url":null,"abstract":"<div><div>A new probe for measuring nucleophilicity was introduced. The kinetics of various species with <em>β</em>-nitrostyrene (NS) as an electrophile was studied in methanol at room temperature. All measurements were performed by scanning the UV absorptions of NS as a probe scale. The novelty of probe, and method solve the difficulties in measuring the nucleophilicity and show interesting findings for primary, secondary amines, thiols, and salts. The results are helpful to find the reaction rates, mechanisms, and pathways based on the nature of the nucleophiles. The solvents parameters, including hydrogen bond donor/acceptor, polarizability and dipole moments of the solvents were considered in the analysis of the measurements. This work shows that nucleophilicity is mainly influenced by the type of nucleophiles.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"347 ","pages":"Article 127014"},"PeriodicalIF":4.6,"publicationDate":"2025-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145260486","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Rapid methanol detection in ethanol solutions via non-linear Raman spectroscopy modeling 利用非线性拉曼光谱模型快速检测乙醇溶液中的甲醇
IF 4.6 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-10-04 DOI: 10.1016/j.saa.2025.126993
Somaye Vali Zade , Hossein Rastegar , Hamid Abdollahi
{"title":"Rapid methanol detection in ethanol solutions via non-linear Raman spectroscopy modeling","authors":"Somaye Vali Zade ,&nbsp;Hossein Rastegar ,&nbsp;Hamid Abdollahi","doi":"10.1016/j.saa.2025.126993","DOIUrl":"10.1016/j.saa.2025.126993","url":null,"abstract":"<div><div>Methanol contamination in ethanol-based products poses a significant health risk due to its toxicity at low concentrations. This study developed a rapid, non-destructive method for detecting and quantifying methanol in alcoholic beverages using Raman spectroscopy combined with chemometric models, including Partial Least Squares (PLS), Interval PLS (iPLS), Kernel PLS, and Radial Basis Function Artificial Neural Networks (RBF-ANN). The Kernel PLS model, applied to optimized spectral intervals, achieved the lowest relative prediction error (REP%) of 6.84 % on a test set. Validation on real samples spiked with 3–20 % methanol confirmed the method's ability to quantify methanol with absolute relative errors below 10 % in most cases. Compared to conventional techniques like gas chromatography (GC) and high-performance liquid chromatography (HPLC), this approach requires minimal sample preparation and shorter analysis time, making it suitable for quality control in the food, pharmaceutical, and cosmetic industries.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"347 ","pages":"Article 126993"},"PeriodicalIF":4.6,"publicationDate":"2025-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263190","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Visible and near infrared absorption and fluorescence studies of the adsorption and coverage of doxorubicin on single-walled carbon nanotubes 多柔比星在单壁碳纳米管上的吸附和覆盖的可见和近红外吸收和荧光研究。
IF 4.6 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-10-03 DOI: 10.1016/j.saa.2025.127013
Luc Chavignon , Christophe Blanc , Tiago Serodre , May C. Morris , Eric Anglaret
{"title":"Visible and near infrared absorption and fluorescence studies of the adsorption and coverage of doxorubicin on single-walled carbon nanotubes","authors":"Luc Chavignon ,&nbsp;Christophe Blanc ,&nbsp;Tiago Serodre ,&nbsp;May C. Morris ,&nbsp;Eric Anglaret","doi":"10.1016/j.saa.2025.127013","DOIUrl":"10.1016/j.saa.2025.127013","url":null,"abstract":"<div><div>Single-walled carbon nanotubes have been identified as promising materials for drug delivery due to their large specific surface area, their ability to pass through the cell membrane without damaging it and their physicochemical properties, allowing their surface to be easily functionalised. Additionally, their optical properties permit investigation in biological media in the near infrared (the “biological window”). In this paper, adsorption of doxorubicin on single-walled carbon nanotubes dispersed with carboxymethylcellulose salt is monitored by absorption and fluorescence spectroscopy in the visible and near infrared. We confirm that Raman-fluorescence coupled spectroscopy in the near infrared is a useful tool for probing the adsorption of drugs on single-walled carbon nanotubes in a sub-monolayer regime. By combining spectroscopic studies of doxorubicin in the visible range, we propose a protocol for quantifying the amount of adsorbed drug over a broad range of concentrations.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"347 ","pages":"Article 127013"},"PeriodicalIF":4.6,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145260540","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Schiff bases derivatives containing salicylaldimine and (benzo)pyrazole with fluorescence performance as dissociative proton detection probes in water/oil phases system 含水杨醛二胺和(苯并)吡唑的希夫碱衍生物在水/油相体系中用作荧光解离质子检测探针。
IF 4.6 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-10-02 DOI: 10.1016/j.saa.2025.126998
Shulan Ji , Yu Zhang , Xun Li , Fei Wang
{"title":"Schiff bases derivatives containing salicylaldimine and (benzo)pyrazole with fluorescence performance as dissociative proton detection probes in water/oil phases system","authors":"Shulan Ji ,&nbsp;Yu Zhang ,&nbsp;Xun Li ,&nbsp;Fei Wang","doi":"10.1016/j.saa.2025.126998","DOIUrl":"10.1016/j.saa.2025.126998","url":null,"abstract":"<div><div>In order to exploit novel fluorescence materials with probe properties, salicylaldehyde was introduced into pyrazole (<strong>A1</strong>), methylpyrazole (<strong>A2</strong>), indazole (<strong>A3</strong>), and methylindazole (<strong>A4</strong>) through an imine bond. The fluorescence quantum yield of these compounds in solid state (11.2 %–34.3 %) is significantly higher than that in liquid state (oil and water phases). Among them, <strong>A4</strong> exhibits better fluorescence performance compared to the other title compounds. This phenomenon was caused by compound <strong>A4</strong> possesses both a benzoheterocyclic heterocycle (indazole) and an electron-donating group (methyl). These two categories of electron-donating fragments make compound <strong>A4</strong> as a kind of donor-π-donor (D-π-D) system. In addition, compound <strong>A4</strong> can transform from enol to ketone under acidic conditions, and also significantly enhancing its fluorescence performance (fluorescence quantum yield increased from 4.1 % to 26.4 % in biodiesel). This process enables <strong>A4</strong> to be used for acidity detection in biodiesel system.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"347 ","pages":"Article 126998"},"PeriodicalIF":4.6,"publicationDate":"2025-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145260505","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Highly efficient photoluminescence and excellent stability in hybrid manganese halides: (C21H22N)2MnBr4 杂化卤化锰(C21H22N)2MnBr4的高效光致发光和优异的稳定性
IF 4.6 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-10-02 DOI: 10.1016/j.saa.2025.126975
Ranran Bu , Guangming Niu , Changyuan Xu , Fengjiao Zhao , Qun Wang , Haizhen Song , Zhe Yu , Ying Tian , Laizhi Sui , Hongming Yin
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