Pub Date : 2025-11-22DOI: 10.1016/j.saa.2025.127237
Xuan Xiao , Xuemei Dong , Yuchen Du , Taiyu Cao , Tian Liang , Yongxiang Su , Fabao Luo , Keying Zhang , Yujie Ding
The residues of megestrol acetate (MA) in food and the environment had posed potential risks to ecological safety and human health. Here, we had developed a ratiometric luminescence nanoprobe using neutral red (NR)-functionalized upconversion nanoparticles (UCNPs) and luminescence resonance energy transfer (LRET) for highly sensitive MA detection. Through the host-guest reaction between NR and γ-Cyclodextrin (γ-CD), NR had been assembled into the γ-CD cavities on the surface of UCNPs@γ-CD, quenching the green upconversion emission at 540 nm while activating the characteristic luminescence of NR at 600 nm, which had enabled dual-signal ratiometric detection. The probe had achieved a detection limit of 0.81 μM (S/N = 3) and had performed well in milk, fetal bovine serum, and bovine liver samples. This study had provided a highly specific and environmentally friendly analytical method for the precisely screening of hormone residues in animal-derived foods.
{"title":"Neutral red functionalized upconversion nanoparticles as ratiometric luminescence nanoprobes for high sensitively and precisely sensing megestrol acetate in bovine liver","authors":"Xuan Xiao , Xuemei Dong , Yuchen Du , Taiyu Cao , Tian Liang , Yongxiang Su , Fabao Luo , Keying Zhang , Yujie Ding","doi":"10.1016/j.saa.2025.127237","DOIUrl":"10.1016/j.saa.2025.127237","url":null,"abstract":"<div><div>The residues of megestrol acetate (MA) in food and the environment had posed potential risks to ecological safety and human health. Here, we had developed a ratiometric luminescence nanoprobe using neutral red (NR)-functionalized upconversion nanoparticles (UCNPs) and luminescence resonance energy transfer (LRET) for highly sensitive MA detection. Through the host-guest reaction between NR and γ-Cyclodextrin (γ-CD), NR had been assembled into the γ-CD cavities on the surface of UCNPs@γ-CD, quenching the green upconversion emission at 540 nm while activating the characteristic luminescence of NR at 600 nm, which had enabled dual-signal ratiometric detection. The probe had achieved a detection limit of 0.81 μM (S/N = 3) and had performed well in milk, fetal bovine serum, and bovine liver samples. This study had provided a highly specific and environmentally friendly analytical method for the precisely screening of hormone residues in animal-derived foods.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"348 ","pages":"Article 127237"},"PeriodicalIF":4.6,"publicationDate":"2025-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145614372","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}
Pub Date : 2025-11-21DOI: 10.1016/j.saa.2025.127233
Feng Zhao, Zhenhui Yue, Zhen Lei
Abnormal level of sulfide poses serious threats to environment, ecosystem and human health, therefore, sensitive and precise detection of sulfide is of significant importance. Bimetallic Cu/Fe-MOF (Cu/Fe-BDC-NH2) with high peroxidase (POD)-like activity was facilely synthesized via partial cation substitution of Cu-BDC-NH2 at room temperature. Cu/Fe-BDC-NH₂ is capable to catalyze the oxidation of colorless 3,3′,5,5′-tetramethylbenzidine (TMB) into a blue product (oxTMB) with the assistance of H2O2. Cu/Fe-BDC-NH2 showed high affinity for TMB and H2O2, and the catalytic process conformed to Michaelis-Menton kinetics. The remarkable POD-like activity is derived from the notable enhancement of hydroxyl radical (⋅OH) and superoxide anion free radical (⋅O2−) production. Sulfide can accelerate the Cu/Fe-BDC-NH2-mediated Fenton-like reaction, resulting in enhanced POD-like activity of Cu/Fe-BDC-NH2. Thus, a signal-on colorimetric method was proposed for detection of sulfide based on Cu/Fe-BDC-NH2 + TMB + H2O2 sensing system, which showed wide linear range (1–500 μM) and low limit of detection (0.7 μM). The method exhibited selective response to sulfide among various potential interferents, and was successfully applied to actual water samples. Furthermore, by loading Cu/Fe-BDC-NH2 on paper substrate, test papers were prepared to achieve portable and on-site detection of sulfide with the aid of smartphone.
{"title":"Signal-on colorimetric detection of sulfide based on the promoted peroxidase-like activity of Cu/Fe-BDC-NH2 nanoparticles","authors":"Feng Zhao, Zhenhui Yue, Zhen Lei","doi":"10.1016/j.saa.2025.127233","DOIUrl":"10.1016/j.saa.2025.127233","url":null,"abstract":"<div><div>Abnormal level of sulfide poses serious threats to environment, ecosystem and human health, therefore, sensitive and precise detection of sulfide is of significant importance. Bimetallic Cu/Fe-MOF (Cu/Fe-BDC-NH<sub>2</sub>) with high peroxidase (POD)-like activity was facilely synthesized via partial cation substitution of Cu-BDC-NH<sub>2</sub> at room temperature. Cu/Fe-BDC-NH₂ is capable to catalyze the oxidation of colorless 3,3′,5,5′-tetramethylbenzidine (TMB) into a blue product (oxTMB) with the assistance of H<sub>2</sub>O<sub>2</sub>. Cu/Fe-BDC-NH<sub>2</sub> showed high affinity for TMB and H<sub>2</sub>O<sub>2</sub>, and the catalytic process conformed to Michaelis-Menton kinetics. The remarkable POD-like activity is derived from the notable enhancement of hydroxyl radical (⋅OH) and superoxide anion free radical (⋅O<sub>2</sub><sup>−</sup>) production. Sulfide can accelerate the Cu/Fe-BDC-NH<sub>2</sub>-mediated Fenton-like reaction, resulting in enhanced POD-like activity of Cu/Fe-BDC-NH<sub>2</sub>. Thus, a signal-on colorimetric method was proposed for detection of sulfide based on Cu/Fe-BDC-NH<sub>2</sub> + TMB + H<sub>2</sub>O<sub>2</sub> sensing system, which showed wide linear range (1–500 μM) and low limit of detection (0.7 μM). The method exhibited selective response to sulfide among various potential interferents, and was successfully applied to actual water samples. Furthermore, by loading Cu/Fe-BDC-NH<sub>2</sub> on paper substrate, test papers were prepared to achieve portable and on-site detection of sulfide with the aid of smartphone.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"348 ","pages":"Article 127233"},"PeriodicalIF":4.6,"publicationDate":"2025-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145662994","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}
Pub Date : 2025-11-21DOI: 10.1016/j.saa.2025.127211
Xia Yan , Congcong Hu , Zhiyuan Yang
Given that chloride activation can significantly enhance the sensitivity of surface-enhanced Raman scattering (SERS) and that seawater serves as a natural chloride-activating environment, this study systematically investigated the effect of chloride activation on SERS-based detection of polycyclic aromatic hydrocarbons (PAHs). A key finding of this research is that when the chloride ion concentration in the solution approximated the salinity of natural seawater, the SERS detection performance for PAHs was significantly optimized. Specifically, in laboratory experiments with a chloride ion concentration of 0.5 M, the limits of detection (LODs) for naphthalene (Nap), acenaphthylene (Acl), fluorene (Flu), phenanthrene (Phe), anthracene (Ant), fluoranthene (Fla), pyrene (Pyr), and benzo(a)pyrene (BaP) were as low as 1 nM, while the LOD for benzo[k]fluoranthene (BkF) was 5 nM.
{"title":"High sensitivity SERS detection of polycyclic aromatic hydrocarbons based on chlorine activation under seawater salinity conditions","authors":"Xia Yan , Congcong Hu , Zhiyuan Yang","doi":"10.1016/j.saa.2025.127211","DOIUrl":"10.1016/j.saa.2025.127211","url":null,"abstract":"<div><div>Given that chloride activation can significantly enhance the sensitivity of surface-enhanced Raman scattering (SERS) and that seawater serves as a natural chloride-activating environment, this study systematically investigated the effect of chloride activation on SERS-based detection of polycyclic aromatic hydrocarbons (PAHs). A key finding of this research is that when the chloride ion concentration in the solution approximated the salinity of natural seawater, the SERS detection performance for PAHs was significantly optimized. Specifically, in laboratory experiments with a chloride ion concentration of 0.5 M, the limits of detection (LODs) for naphthalene (Nap), acenaphthylene (Acl), fluorene (Flu), phenanthrene (Phe), anthracene (Ant), fluoranthene (Fla), pyrene (Pyr), and benzo(<em>a</em>)pyrene (BaP) were as low as 1 nM, while the LOD for benzo[<em>k</em>]fluoranthene (BkF) was 5 nM.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"348 ","pages":"Article 127211"},"PeriodicalIF":4.6,"publicationDate":"2025-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145619983","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}
Pub Date : 2025-11-21DOI: 10.1016/j.saa.2025.127232
Ansu Sara Solomon , Kavia J. Albert , S. Masilla Moses Kennedy , Prathibha Vasudevan
This study investigates the structural and optical properties of Sm3+ doped LaOBr nanophosphors, which were successfully synthesized using a facile solid-state reaction method. The X-ray diffraction (XRD) patterns and Rietveld refinement confirmed that the developed sample shows a tetragonal crystal structure with the space group P4/nmm. X-ray Photoelectron Spectroscopy (XPS), Fourier Transform Infrared Spectroscopy (FTIR), Raman Spectroscopy, Transmission Electron Microscopy (TEM), and Field Emission Scanning Electron Microscopy (FESEM) clearly validated the elemental composition, chemical bonds, and morphology of the synthesized sample. Photoluminescence (PL) spectra revealed the emission of orange-red light from the samples and the impact of dopant concentration quenching. The photoluminescence performance is theoretically compared with calculated Judd-Ofelt parameters and follows the trend (Ω2 > Ω4 > Ω6). The analysis of temperature-dependent photoluminescence and thermal sensing behavior of the material is carried out using two effective optical techniques: Fluorescence Intensity Ratio (FIR) thermometry and Full Width at Half Maximum (FWHM) thermometry. The potential applications of these nanophosphors are greatly enhanced by their remarkable properties, which can be utilized in the development of latent fingerprints, lip prints, and security label patterns. The findings suggest that the orange-red luminescent LaOBr: Sm3+ nanophosphor is a promising candidate for both display applications and forensic detection analysis.
{"title":"Luminescent and optical thermometric behavior of Sm3+ activated LaOBr nanophosphors for display applications and visualization of latent fingerprints","authors":"Ansu Sara Solomon , Kavia J. Albert , S. Masilla Moses Kennedy , Prathibha Vasudevan","doi":"10.1016/j.saa.2025.127232","DOIUrl":"10.1016/j.saa.2025.127232","url":null,"abstract":"<div><div>This study investigates the structural and optical properties of Sm<sup>3+</sup> doped LaOBr nanophosphors, which were successfully synthesized using a facile solid-state reaction method. The X-ray diffraction (XRD) patterns and Rietveld refinement confirmed that the developed sample shows a tetragonal crystal structure with the space group P4/nmm. X-ray Photoelectron Spectroscopy (XPS), Fourier Transform Infrared Spectroscopy (FTIR), Raman Spectroscopy, Transmission Electron Microscopy (TEM), and Field Emission Scanning Electron Microscopy (FESEM) clearly validated the elemental composition, chemical bonds, and morphology of the synthesized sample. Photoluminescence (PL) spectra revealed the emission of orange-red light from the samples and the impact of dopant concentration quenching. The photoluminescence performance is theoretically compared with calculated Judd-Ofelt parameters and follows the trend (Ω<sub>2</sub> > Ω<sub>4</sub> > Ω<sub>6</sub>). The analysis of temperature-dependent photoluminescence and thermal sensing behavior of the material is carried out using two effective optical techniques: Fluorescence Intensity Ratio (FIR) thermometry and Full Width at Half Maximum (FWHM) thermometry. The potential applications of these nanophosphors are greatly enhanced by their remarkable properties, which can be utilized in the development of latent fingerprints, lip prints, and security label patterns. The findings suggest that the orange-red luminescent LaOBr: Sm<sup>3+</sup> nanophosphor is a promising candidate for both display applications and forensic detection analysis.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"348 ","pages":"Article 127232"},"PeriodicalIF":4.6,"publicationDate":"2025-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145673121","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}
In this study, we report the synthesis of silver-doped yellow-green fluorescent carbon dots (Ag-YGCDs) using a facile solvothermal method with L-citrulline, phthalamide, and silver nitrate as precursors. The Ag-YGCDs exhibited a maximum emission at 530 nm when excited at 450 nm, with a fluorescence quantum yield of 5.9 %. Paramountly, the Ag-YGCDs exhibited exceptional fluorescence quenching performance with high sensitivity and selectivity towards tartrazine, enabling a novel fluorescent probe for trace tartrazine detection. A wide linear response range spanning 0.10–45 μM was exhibited by the probe for tartrazine quantification, while maintaining a detection limit as low as 27 nM. The constructed method was then successfully applied in various food matrices, including cocktails, juices, energy drinks, hard candies, gummy candies, and chocolate confectioneries. The recovery rates ranged from 91.4 % to 120 %, with relative standard deviations between 1.1 % and 3.7 %, confirming the method's reliability and accuracy.
{"title":"Construction of a silver-doped carbon dots-based fluorescent probe for trace tartrazine analysis in foodstuffs","authors":"Qianchun Zhang, Xiaofang Tian, Meijie Xie, Xinyu Luo, Boyan Zheng, Xiangming Luo, Mei Wang, Shan Mou, Yun Wu","doi":"10.1016/j.saa.2025.127241","DOIUrl":"10.1016/j.saa.2025.127241","url":null,"abstract":"<div><div>In this study, we report the synthesis of silver-doped yellow-green fluorescent carbon dots (Ag-YGCDs) using a facile solvothermal method with L-citrulline, phthalamide, and silver nitrate as precursors. The Ag-YGCDs exhibited a maximum emission at 530 nm when excited at 450 nm, with a fluorescence quantum yield of 5.9 %. Paramountly, the Ag-YGCDs exhibited exceptional fluorescence quenching performance with high sensitivity and selectivity towards tartrazine, enabling a novel fluorescent probe for trace tartrazine detection. A wide linear response range spanning 0.10–45 μM was exhibited by the probe for tartrazine quantification, while maintaining a detection limit as low as 27 nM. The constructed method was then successfully applied in various food matrices, including cocktails, juices, energy drinks, hard candies, gummy candies, and chocolate confectioneries. The recovery rates ranged from 91.4 % to 120 %, with relative standard deviations between 1.1 % and 3.7 %, confirming the method's reliability and accuracy.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"348 ","pages":"Article 127241"},"PeriodicalIF":4.6,"publicationDate":"2025-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145619985","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}
Pub Date : 2025-11-21DOI: 10.1016/j.saa.2025.127228
Junjie Xu , Na Gan , Yating Liu , Peiran Liu , Xing Yang , Jie Zhong , Fang Geng , Di Wu
An in-depth investigation of the interactions between citral (CIT) and cinnamaldehyde (CMA) with bovine hemoglobin (BHb), a key functional protein in meat products, provided essential theoretical and experimental references for designing new aldehyde-based meat additives. This study used multispectral analysis techniques and molecular dynamics simulations to explore how BHb interacts with CIT and CMA, along with their effects on the protein's physicochemical properties. Fluorescence quenching experiments indicated that CIT predominantly quenched the intrinsic fluorescence of BHb through a static quenching mechanism, whereas CMA through a dynamic quenching. Notably, the binding constant for CMA-BHb (3.91 × 103 mol/L) was much higher than that for CIT-BHb (2.01 × 102 mol/L) at 310 K due to CMA's stronger affinity for BHb's hydrophobic regions, forming stronger hydrophobic interactions. Kinetic simulations indicated that BHb's overall shape became more stable when it bound to CIT and CMA, with reduced local fluctuations in amino acid residues and lower RMSD and RMSF values compared to unbound BHb. Rg measurements showed that interactions with CIT and CMA led to a more compact BHb structure. Further infrared spectroscopy combined with circular dichroism analysis revealed a red shift in BHb's α-helix subpeak and a decrease in α-helix content, confirming that CIT and CMA caused conformational changes in BHb, with CMA had a greater effect. Additionally, forming non-covalent complexes between BHb and these small molecules significantly increased the water solubility of BHb. As a result, the DPPH radical scavenging activity of the complexes increased by 12.2–20.5 % and 7.3–12.2 %, compared to free CIT and CMA, respectively.
{"title":"Unraveling the interaction mechanism, conformational perturbation, and antioxidant activity of citral and cinnamaldehyde with bovine hemoglobin","authors":"Junjie Xu , Na Gan , Yating Liu , Peiran Liu , Xing Yang , Jie Zhong , Fang Geng , Di Wu","doi":"10.1016/j.saa.2025.127228","DOIUrl":"10.1016/j.saa.2025.127228","url":null,"abstract":"<div><div>An in-depth investigation of the interactions between citral (CIT) and cinnamaldehyde (CMA) with bovine hemoglobin (BHb), a key functional protein in meat products, provided essential theoretical and experimental references for designing new aldehyde-based meat additives. This study used multispectral analysis techniques and molecular dynamics simulations to explore how BHb interacts with CIT and CMA, along with their effects on the protein's physicochemical properties. Fluorescence quenching experiments indicated that CIT predominantly quenched the intrinsic fluorescence of BHb through a static quenching mechanism, whereas CMA through a dynamic quenching. Notably, the binding constant for CMA-BHb (3.91 × 10<sup>3</sup> mol/L) was much higher than that for CIT-BHb (2.01 × 10<sup>2</sup> mol/L) at 310 K due to CMA's stronger affinity for BHb's hydrophobic regions, forming stronger hydrophobic interactions. Kinetic simulations indicated that BHb's overall shape became more stable when it bound to CIT and CMA, with reduced local fluctuations in amino acid residues and lower RMSD and RMSF values compared to unbound BHb. Rg measurements showed that interactions with CIT and CMA led to a more compact BHb structure. Further infrared spectroscopy combined with circular dichroism analysis revealed a red shift in BHb's α-helix subpeak and a decrease in α-helix content, confirming that CIT and CMA caused conformational changes in BHb, with CMA had a greater effect. Additionally, forming non-covalent complexes between BHb and these small molecules significantly increased the water solubility of BHb. As a result, the DPPH radical scavenging activity of the complexes increased by 12.2–20.5 % and 7.3–12.2 %, compared to free CIT and CMA, respectively.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"348 ","pages":"Article 127228"},"PeriodicalIF":4.6,"publicationDate":"2025-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145614278","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}
Pub Date : 2025-11-20DOI: 10.1016/j.saa.2025.127235
Meizhu Rong , Jiani Shen , Jianfen Jiang , Junlong Deng , Xixia Yuan , Qin Wang , Tingting Duan , Zhengliang Wang , Peizhi Yang
This study successfully synthesized bifunctional carbon dots (CDs) using sorbic acid as a single precursor, endowing the material with dual sensing-photoelectronic properties. When employed as probes, these CDs exhibit rare bimodal characteristics: they demonstrate not only superior sensing performance in down-conversion photoluminescence (DPL) mode but also exceptional detection capability in up-conversion photoluminescence (UPL) mode. Experimental results revealed linear correlations between acetonitrile content and fluorescence intensities in acetone/acetonitrile mixtures, with determination coefficients of 0.9583 (DPL) and 0.9103 (UPL). Notably, the modified sorbic acid-derived CDs overcome the prevalent aggregation-caused quenching effect in conventional solid-state CDs, achieving a remarkable solid-state external quantum yield of 32 %. This breakthrough enables their direct integration into white LEDs without requiring complex post-processing procedures. The research ultimately accomplishes the dual application of single-precursor-derived bifunctional CDs in both bimodal probing and optoelectronic devices.
{"title":"Dual-functional carbon dots based on sorbic acid application in bimodal probing and white LEDs","authors":"Meizhu Rong , Jiani Shen , Jianfen Jiang , Junlong Deng , Xixia Yuan , Qin Wang , Tingting Duan , Zhengliang Wang , Peizhi Yang","doi":"10.1016/j.saa.2025.127235","DOIUrl":"10.1016/j.saa.2025.127235","url":null,"abstract":"<div><div>This study successfully synthesized bifunctional carbon dots (CDs) using sorbic acid as a single precursor, endowing the material with dual sensing-photoelectronic properties. When employed as probes, these CDs exhibit rare bimodal characteristics: they demonstrate not only superior sensing performance in down-conversion photoluminescence (DPL) mode but also exceptional detection capability in up-conversion photoluminescence (UPL) mode. Experimental results revealed linear correlations between acetonitrile content and fluorescence intensities in acetone/acetonitrile mixtures, with determination coefficients of 0.9583 (DPL) and 0.9103 (UPL). Notably, the modified sorbic acid-derived CDs overcome the prevalent aggregation-caused quenching effect in conventional solid-state CDs, achieving a remarkable solid-state external quantum yield of 32 %. This breakthrough enables their direct integration into white LEDs without requiring complex post-processing procedures. The research ultimately accomplishes the dual application of single-precursor-derived bifunctional CDs in both bimodal probing and optoelectronic devices.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"348 ","pages":"Article 127235"},"PeriodicalIF":4.6,"publicationDate":"2025-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145619954","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}
Ampicillin, a betalactam antibiotic, is used to treat hospital disorders such as gastrointestinal, urogenital, and skin infections. Seizures and hypersensitivity responses are possible adverse effects of this medication. This study aims to qualitatively and quantitatively determine the presence of ampicillin through the use of the fluorescence technique. In this strategy, a DNA nanotrain configuration was developed that consists of a sequence of complementary strands connected to an ampicillin aptamer, which was affixed to a mesoporous silica nanoparticle. The resultant double-stranded segments created an ideal loading zone for the fluorescent compound picogreen, leading to a significant fluorescence emission. Under ideal conditions, the created fluorescent sensing approach demonstrated excellent selectivity for ampicillin, achieving a limit of detection (LOD) of 0.2 nM. The developed aptasensor demonstrated two separate linear intervals, ranging from 0.5 to 10 nM and from 60 to 200 nM. In summary, the suggested approach has the potential to provide a solid basis for the analysis of small molecules, thereby guaranteeing the safety of food and humans by utilizing suitable aptamer sequences.
{"title":"Development of a fluorescence aptasensor based on DNA nanotrain structure for the detection of ampicillin","authors":"Emad Azimi , Elham Sameiyan , Reza Ghaffari , Abouzar Shafaghi , Mohammad Ramezani , Mona Alibolandi , Khalil Abnous , Seyed Mohammad Taghdisi","doi":"10.1016/j.saa.2025.127239","DOIUrl":"10.1016/j.saa.2025.127239","url":null,"abstract":"<div><div>Ampicillin, a betalactam antibiotic, is used to treat hospital disorders such as gastrointestinal, urogenital, and skin infections. Seizures and hypersensitivity responses are possible adverse effects of this medication. This study aims to qualitatively and quantitatively determine the presence of ampicillin through the use of the fluorescence technique. In this strategy, a DNA nanotrain configuration was developed that consists of a sequence of complementary strands connected to an ampicillin aptamer, which was affixed to a mesoporous silica nanoparticle. The resultant double-stranded segments created an ideal loading zone for the fluorescent compound picogreen, leading to a significant fluorescence emission. Under ideal conditions, the created fluorescent sensing approach demonstrated excellent selectivity for ampicillin, achieving a limit of detection (LOD) of 0.2 nM. The developed aptasensor demonstrated two separate linear intervals, ranging from 0.5 to 10 nM and from 60 to 200 nM. In summary, the suggested approach has the potential to provide a solid basis for the analysis of small molecules, thereby guaranteeing the safety of food and humans by utilizing suitable aptamer sequences.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"348 ","pages":"Article 127239"},"PeriodicalIF":4.6,"publicationDate":"2025-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145620094","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}
Pub Date : 2025-11-20DOI: 10.1016/j.saa.2025.127234
Xiaoyi Zhai , Na Zang , Dan Jin , Guangxing Wang , Hongmei Yu , Haiyang Wang
Petroleum residue (PR) serves as an ideal precursor for carbon anode materials, with its properties—such as sulfur content (SC), carbon residue (CR), saturates, aromatics, resins, and asphaltenes (SARA) fractions—critically influencing the final product performance. This study develops a predictive model utilizing near-infrared (NIR) spectroscopy for the rapid assessment of multiple properties in PR. When combined with fuzzy C-means clustering (FCM), NIR spectroscopy facilitates the unsupervised clustering of PR samples, allowing for the identification of those with similar chemical compositions. Competitive adaptive reweighted sampling (CARS) was employed for variable selection, screening highly relevant variables to enhance the accuracy and interpretability of the quantitative model. The results demonstrate that the CARS-PLS model outperforms the full-spectrum PLS model, with a validation set ratio of performance to deviation (RPD) values exceeding 3.0. The root mean square error of prediction (RMSEP) and concentration ranges (wt%) for each property are: SC, 0.14 (0.37–4.47); CR, 0.73 (6.67–18.14); saturates, 1.35 (18.29–41.39); aromatics, 3.27 (26.62–62.90); resins, 4.32 (1.36–44.79); asphaltenes, 0.34 (1.92–8.37). Paired t-tests (p > 0.05) indicate that there are no significant differences between the predicted and actual values. This is the first application to integrate NIR spectroscopy with FCM and CARS for rapid PR detection, yielding robust results. It offers a fast, feasible alternative to conventional reference methods and provides critical technical support for quality control in the preparation of carbon anode material.
{"title":"Rapid detection of petroleum residue properties using near-infrared spectroscopy integrated with fuzzy c-means clustering and competitive adaptive reweighted sampling variable selection","authors":"Xiaoyi Zhai , Na Zang , Dan Jin , Guangxing Wang , Hongmei Yu , Haiyang Wang","doi":"10.1016/j.saa.2025.127234","DOIUrl":"10.1016/j.saa.2025.127234","url":null,"abstract":"<div><div>Petroleum residue (PR) serves as an ideal precursor for carbon anode materials, with its properties—such as sulfur content (SC), carbon residue (CR), saturates, aromatics, resins, and asphaltenes (SARA) fractions—critically influencing the final product performance. This study develops a predictive model utilizing near-infrared (NIR) spectroscopy for the rapid assessment of multiple properties in PR. When combined with fuzzy C-means clustering (FCM), NIR spectroscopy facilitates the unsupervised clustering of PR samples, allowing for the identification of those with similar chemical compositions. Competitive adaptive reweighted sampling (CARS) was employed for variable selection, screening highly relevant variables to enhance the accuracy and interpretability of the quantitative model. The results demonstrate that the CARS-PLS model outperforms the full-spectrum PLS model, with a validation set ratio of performance to deviation (RPD) values exceeding 3.0. The root mean square error of prediction (RMSEP) and concentration ranges (wt%) for each property are: SC, 0.14 (0.37–4.47); CR, 0.73 (6.67–18.14); saturates, 1.35 (18.29–41.39); aromatics, 3.27 (26.62–62.90); resins, 4.32 (1.36–44.79); asphaltenes, 0.34 (1.92–8.37). Paired <em>t</em>-tests (<em>p</em> > 0.05) indicate that there are no significant differences between the predicted and actual values. This is the first application to integrate NIR spectroscopy with FCM and CARS for rapid PR detection, yielding robust results. It offers a fast, feasible alternative to conventional reference methods and provides critical technical support for quality control in the preparation of carbon anode material.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"348 ","pages":"Article 127234"},"PeriodicalIF":4.6,"publicationDate":"2025-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145614374","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}
Pub Date : 2025-11-20DOI: 10.1016/j.saa.2025.127238
Dinkal V. Kasundra, Paresh N. Patel
A sustainable approach to hydrazine detection is presented via the design and synthesis of eight novel fluorophores through Claisen–Schmidt condensation, catalysed by KOH and pyrrolidine under mild conditions. While KOH (2–3 h; 73–79%) afforded speedy catalyst, pyrrolidine (4–6 h; 83–89%) enabled efficient catalyst access to a diverse set of polynuclear aromatic scaffolds. The resulting fluorophores were fully characterized by NMR and HRMS, and their photophysical behaviours were systematically investigated in various solvents. A standout candidate, based on 1-Pyrenecarboxaldehyde, demonstrated exceptional promise as a dual-mode (colorimetric and fluorometric) sensor for hydrazine. The detection mechanism involves a hydrazine-induced cyclization event that disrupts π-conjugation and intramolecular charge transfer, triggering rapid optical changes visible to the naked eye. The sensor exhibited ultra-low detection limits (0.33 μM with 5 μM 3d, i.e. (E)-1,3-di(pyren-1-yl) prop-2-en-1-one), high selectivity, and robust performance against a wide range of interfering species and pH (4–10) variations. Real-world applicability was confirmed through successful detection of trace hydrazine (1–5 μM) in environmental water, soil, and food samples. Furthermore, a low-cost, paper-based sensing platform was developed, enabling portable, equipment-free detection. This work showcases a practical and sustainable fluorophore design strategy for environmental toxin monitoring and paves the way for future field-deployable, green sensing technologies.
{"title":"Pyrene aided dual mode fluorophore sensor for trace hydrazine detection in real environmental samples: Design, mechanism and DFT insights","authors":"Dinkal V. Kasundra, Paresh N. Patel","doi":"10.1016/j.saa.2025.127238","DOIUrl":"10.1016/j.saa.2025.127238","url":null,"abstract":"<div><div>A sustainable approach to hydrazine detection is presented via the design and synthesis of eight novel fluorophores through Claisen–Schmidt condensation, catalysed by KOH and pyrrolidine under mild conditions. While KOH (2–3 h; 73–79%) afforded speedy catalyst, pyrrolidine (4–6 h; 83–89%) enabled efficient catalyst access to a diverse set of polynuclear aromatic scaffolds. The resulting fluorophores were fully characterized by NMR and HRMS, and their photophysical behaviours were systematically investigated in various solvents. A standout candidate, based on 1-Pyrenecarboxaldehyde, demonstrated exceptional promise as a dual-mode (colorimetric and fluorometric) sensor for hydrazine. The detection mechanism involves a hydrazine-induced cyclization event that disrupts π-conjugation and intramolecular charge transfer, triggering rapid optical changes visible to the naked eye. The sensor exhibited ultra-low detection limits (0.33 μM with 5 μM <strong>3d</strong>, i.e. (<em>E</em>)-1,3-di(pyren-1-yl) prop-2-en-1-one), high selectivity, and robust performance against a wide range of interfering species and pH (4–10) variations. Real-world applicability was confirmed through successful detection of trace hydrazine (1–5 μM) in environmental water, soil, and food samples. Furthermore, a low-cost, paper-based sensing platform was developed, enabling portable, equipment-free detection. This work showcases a practical and sustainable fluorophore design strategy for environmental toxin monitoring and paves the way for future field-deployable, green sensing technologies.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"348 ","pages":"Article 127238"},"PeriodicalIF":4.6,"publicationDate":"2025-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145576792","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}
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