Spectrochimica Acta. Part A, Molecular And Biomolecular Spectroscopy[JOURNAL]
Sun
200 papers
An upconversion FRET biosensor using ATRP-grafted polymer brushes as a signal amplifier for ultrasensitive detection of CYFRA21-1.
Wang Y, Wang Z, Zhao L … +4 more , Hou M, Yang H, Zhi Y, Liu Y
Spectrochim Acta A Mol Biomol Spectrosc · 2026 Jun · PMID 42402247 · Publisher ↗
The rapid and sensitive detection of cytokeratin 19 fragment (CYFRA21-1) is essential for the early screening and diagnosis of lung cancer. Herein, we developed a novel fluorescence resonance energy transfer (FRET) biose...
The rapid and sensitive detection of cytokeratin 19 fragment (CYFRA21-1) is essential for the early screening and diagnosis of lung cancer. Herein, we developed a novel fluorescence resonance energy transfer (FRET) biosensor based on upconversion nanoparticles (UCNPs), incorporating an atom transfer radical polymerization (ATRP) signal amplification strategy for the rapid and sensitive detection of CYFRA21-1. The FRET biosensor employs UCNPs, which exhibit a low biological background signal and high quantum yield, as the energy donor, and gold nanoparticles (AuNPs) as the energy acceptor. The distance between the energy donor and acceptor is reduced through specific antigen/antibody interactions, leading to the quenching of the donor luminescence signal. The grafting of UCNPs on specific antibodies via ATRP can significantly enhance the quenching of fluorescence signal, thus improving the detection sensitivity. Under optimal conditions, the biosensor demonstrated a linear range of 1 ng/mL ∼ 60 ng/mL with a detection limit of 0.66 ng/mL. Furthermore, the biosensor exhibited high accuracy, selectivity, and robust anti-interference capabilities in the presence of complex biological matrices. This versatile sensing platform can be readily adapted for various targets, holding great promise for applications in medical diagnostics, environmental monitoring, and food safety.
A chemiluminescence sensor for ciprofloxacin detection based on copper ion and aptamer co-modified magnetic microspheres.
Ling J, Yi J, Sun Y … +2 more , Wang X, Luo C
Spectrochim Acta A Mol Biomol Spectrosc · 2026 Jun · PMID 42401145 · Publisher ↗
In this paper, magnetic microspheres (MS) co-modified by copper ion (Cu) and aptamer (Apt) were prepared and used to construct a chemiluminescence (CL) sensor for the detection of ciprofloxacin (CIP) by combining the mag...
In this paper, magnetic microspheres (MS) co-modified by copper ion (Cu) and aptamer (Apt) were prepared and used to construct a chemiluminescence (CL) sensor for the detection of ciprofloxacin (CIP) by combining the magnetic functional materials with the flow injection-chemiluminescence (FI-CL) instrument. When CIP is present in the sample, the Apt on the surface of MS- Apt-Cu will recognize and bind with CIP, resulting in the release of Cu from the surface of MS-Apt-Cu into the supernatant after magnetic separation. Subsequently, the quantitative detection of CIP is achieved through a FI-CL instrument. Under optimal conditions, the constructed sensor for the detection of CIP exhibited a wide linear range of 0.001-500 ng/mL and a low detection limit of 0.36 pg/mL. The sensor also has remarkable selectivity, reproducibility, and stability, and was successfully applied to CIP determination in lake water and milk samples, demonstrating its potential for monitoring antibiotic residues in environmental and food samples.
Application of far-infrared spectroscopy for prediction of silicate mineral content in claystones and clay shales.
Pěgřimočová Z, Ritz M
Spectrochim Acta A Mol Biomol Spectrosc · 2026 Jul · PMID 42401144 · Publisher ↗
Attenuated total reflectance Fourier-transform infrared spectroscopy (ATR-FT-IR) in far-infrared (FIR) region combined with partial least squares regression (PLSR) was coupled for the quantitative determination of silica...
Attenuated total reflectance Fourier-transform infrared spectroscopy (ATR-FT-IR) in far-infrared (FIR) region combined with partial least squares regression (PLSR) was coupled for the quantitative determination of silicate minerals (chlorite, albite, muscovite, and quartz) in claystones and clay shales. A total of sixty-six samples were employed in this study, including forty-nine calibration samples and seventeen validation samples. FIR spectra were acquired under ambient laboratory conditions, without vacuum or controlled atmospheres. Rietveld-refined X-ray diffraction (XRD) data were used as the reference method for creation of PLSR models. The PLSR models exhibited strong predictive performance (with root mean square error of prediction values below 3.6 wt%). The accuracy of PLSR models was confirmed by three statistical tests. Apart from the chlorite prediction model, the models for prediction of quartz, muscovite, and albite demonstrated excellent precision (confirmed by repeatability testing). The study demonstrated that the combination of ATR-FT-IR spectroscopy in the far-infrared region with PLSR can serve as a rapid and reliable alternative method for predicting the mineral composition of sedimentary rocks.
A coumarin-based water-soluble fluorescent probe for tandem detection of Cu and glutathione with application in bioimaging and real sample analysis.
Li B, Yu Y, You J … +4 more , Wu M, Wu W, Chen S, Yu X
Spectrochim Acta A Mol Biomol Spectrosc · 2026 Jul · PMID 42401143 · Publisher ↗
This study developed a new water-soluble fluorescent probe based on a coumarin scaffold, ALX, by introducing hydrophilic groups such as amino, pyridine, etc., using coumarin as a fluorophore, and verified its rapid (3 s,...
This study developed a new water-soluble fluorescent probe based on a coumarin scaffold, ALX, by introducing hydrophilic groups such as amino, pyridine, etc., using coumarin as a fluorophore, and verified its rapid (3 s, 50 s) tandem detection of Cu and glutathione (GSH), with good selectivity and immunity to interference. In this case, ALX was specifically fluorescent "on-off" with Cu, its fluorescence intensity was linearly correlated with Cu concentration in the range of 0-8 μM, with a detection limit of 5.6 × 10 mol/L and a complexation constant of 6.9 × 10 M. In contrast, complex ALX-Cu exhibited a fluorescence turn-on response to glutathione, within the GSH concentration range of 0-9 μM, the fluorescence signal intensity of the probe varies linearly with its concentration, achieved a remarkably low detection limit of 4.9 × 10 mol/L. To elucidate the mechanism by which probe ALX recognizes copper ions, this study employed density functional theory calculations. In addition, probe ALX could effectively detect Cu and glutathione in red wine and cucumber. This dual-functionality also extended to biological cell imaging, highlighting its significant potential for food quality monitoring and biological control applications.
Chromone-based thiosemicarbazone and semicarbazone as efficient fluorescent sensors for CrO/ CrO Ion detection.
Dudeja R, Nisa S, Yusuf M … +1 more , Malik AK
Spectrochim Acta A Mol Biomol Spectrosc · 2026 Jun · PMID 42401142 · Publisher ↗
In this study chromone based Schiff's bases were rationally designed and evaluated for the selective detection of toxic chromate (CrO) and dichromate (CrO) ions. Both probes TSC and SC exhibited pronounced fluorescence q...
In this study chromone based Schiff's bases were rationally designed and evaluated for the selective detection of toxic chromate (CrO) and dichromate (CrO) ions. Both probes TSC and SC exhibited pronounced fluorescence quenching with low limits of detection. Job's plot analysis revealed a 1:1 binding stoichiometry for both TSC-CrO/CrO and SC-CrO/CrO complexes, while the binding constants were determined using modified Benesi Hildebrand plot. FT-IR and DFT study further confirmed the formation of stable ligand-anion complexes. Notably both the probes detected CrO and CrO ions in real water samples including tap, river and bottled water.
Rapid species authentication and protein prediction of porcini mushrooms using FTIR-2DCOS coupled with deep learning.
Zheng C, Liu H, Li J … +1 more , Wang Y
Spectrochim Acta A Mol Biomol Spectrosc · 2026 Jul · PMID 42401141 · Publisher ↗
Edible fungi are highly valued worldwide for their unique culinary and therapeutic properties. Nevertheless, the pronounced morphological similarities among commercially dehydrated species constantly provoke market miscl...
Edible fungi are highly valued worldwide for their unique culinary and therapeutic properties. Nevertheless, the pronounced morphological similarities among commercially dehydrated species constantly provoke market misclassification, leading to severe fluctuations in consumer safety and product consistency. To address this challenge, the present research employed Fourier transform infrared (FTIR) spectroscopy integrated with chemometric algorithms to simultaneously authenticate porcini mushroom species and forecast their crude protein levels. By applying a tri-step infrared analytical framework, we successfully mapped the chemical fingerprints of these fungi, elucidating the dynamic response sequences of specific functional groups across target spectral regions and isolating 12 pivotal characteristic variables. Notably, when two-dimensional correlation spectroscopy (2DCOS) imaging was fed into a residual convolutional neural network (ResNet), the hybrid system yielded a species classification accuracy of 100.00%. Concurrently, predictive models for both taxonomy and protein quantification were constructed utilizing diverse feature screening approaches: 2DCOS, the Successive Projections Algorithm (SPA), and Competitive Adaptive Reweighted Sampling (CARS). While 2DCOS outperformed other individual extraction techniques, the synergistic fusion of 2DCOS, CARS, and SPA maximized the overall predictive efficacy. Ultimately, this work highlights 2DCOS-based feature extraction as a highly potent mechanism for evaluating porcini quality, laying a solid technological foundation for the standardization of mushroom commodities.
Synthesis of a cyanine-based fluorescent probe and its dual-channel recognition of TNP and PYX in aqueous solution.
Li S, Shi J, Wang M … +4 more , Cheng Y, Wang Q, Cao D, Jing Z
Spectrochim Acta A Mol Biomol Spectrosc · 2026 Jul · PMID 42398327 · Publisher ↗
A fluorescent probe with excellent biocompatibility and water solubility was constructed, which can achieve highly selective detection of trace 2,4,6-trinitrophenol (TNP) and 2,6-bis(picrylamino)-3,5-dinitropyridine (PYX...
A fluorescent probe with excellent biocompatibility and water solubility was constructed, which can achieve highly selective detection of trace 2,4,6-trinitrophenol (TNP) and 2,6-bis(picrylamino)-3,5-dinitropyridine (PYX). The probe exhibits a purple color and red fluorescence in aqueous solution, and can specifically and rapidly recognize TNP and PYX through a dual-channel mode of naked-eye color change and fluorescence quenching, showing good detection sensitivity. Spectroscopic test results indicated that the limits of detection (LOD) of TNP and PYX measured by UV-vis absorption spectroscopy were as low as 3.4830 μM and 14.4785 μM, respectively. In contrast, fluorescence spectroscopy further improved the LODs to 1.5956 μM and 3.0820 μM, demonstrating its advantage of high sensitivity in the field of fluorescence detection. Stability studies showed that the probe could maintain stable detection performance in the pH range of 4-9. To promote practical application, the probe was fabricated into test strips, which can quickly complete qualitative and visual detection of TNP and PYX. Combined with smartphone visual colorimetric analysis, semi-quantitative detection of target analytes in water samples can be realized. In addition, the probe can be successfully applied to the fluorescence imaging analysis of exogenous TNP and PYX in HeLa cells.
Quantitative analysis of transformer fault gas acetylene photothermal spectroscopy data based on CNN-WAM-LSTM.
Chen X, Luo B, Zhu L … +3 more , Ao Y, Wei F, Liang J
Spectrochim Acta A Mol Biomol Spectrosc · 2026 Jun · PMID 42398326 · Publisher ↗
The detection of acetylene content in the fault gas of oil immersed transformers is the key to determining the type of internal faults and safe operation of the equipment. The photothermal spectroscopy method has a high...
The detection of acetylene content in the fault gas of oil immersed transformers is the key to determining the type of internal faults and safe operation of the equipment. The photothermal spectroscopy method has a high sensitivity advantage in detecting fault gases, but there are problems such as information redundancy in the analysis process of photothermal spectroscopy data. This article proposes an improved convolutional neural network quantitative model that integrates wavelength attention mechanism and long short-term memory model, and designs and builds a photothermal spectroscopy platform based on Sagnac interference structure to collect CH multi concentration samples. The dataset is augmented with data augmentation to enhance the robustness and generalization of the model. Optimize the model structure and network weights through experiments, complete model training, and verify prediction performance. Verify the contribution of wavelength attention and long short-term memory models through ablation experiments, and compare them with SVR, PLS, and XGBoost. The results indicate that the model has good prediction accuracy, outperforming traditional regression models in R, RMSE, MAE, and MAPE indicators, and is suitable for quantitative analysis of gas spectra in transformer faults.
Fabrication of a g-CN-CTAB-Ag nanocolloid substrate for ultrasensitive digital SERS detection of prohibited residues.
Liu E, Zhang X, Li X … +7 more , Zhang Y, Huang Y, Xing R, Li Y, Lan C, Liao C, Yang Z
Spectrochim Acta A Mol Biomol Spectrosc · 2026 Jul · PMID 42398325 · Publisher ↗
Surface-enhanced Raman spectroscopy (SERS) holds great promise for food safety analysis; however, quantitative analysis at ultratrace levels remains constrained by large signal fluctuations and poor reproducibility. In t...
Surface-enhanced Raman spectroscopy (SERS) holds great promise for food safety analysis; however, quantitative analysis at ultratrace levels remains constrained by large signal fluctuations and poor reproducibility. In this study, a statistical quantitative strategy based on digital SERS (dSERS) was integrated with the construction of a high-performance substrate to overcome these limitations. A g-CN-CTAB-Ag nanocolloid substrate was successfully fabricated via an in situ mixing strategy, in which cetyltrimethylammonium bromide (CTAB) served simultaneously as a flocculating agent and an electrostatic bridging molecule. While CTAB induced the aggregation of silver nanoparticles (Ag NPs) to generate a high-density hotspot network, it also tightly coupled g-CN nanosheets with Ag aggregates, thereby achieving a synergistic enhancement of both electromagnetic and chemical effects. The optimized substrate exhibited an enhancement factor as high as 1.22 × 10 for rhodamine 6G, with an ultralow limit of detection of 3.99 × 10 g/L, together with excellent homogeneity (relative standard deviation, RSD = 6.79%) and long-term stability (>50 days) achieved through a stepwise storage strategy. The limits of detection for enrofloxacin, malachite green, and nitrofurazone were7.72 × 10, 1.32 × 10, and 3.48 × 10 g/L, respectively. Based on this substrate, a dSERS quantitative method was further developed by using the ratio of positive voxels instead of conventional signal intensity as the quantification metric. The method showed excellent linearity over a wide enrofloxacin concentration range of 10-10 g/L (R = 0.9941), and successfully reduced the RSD for detecting 10 μg/kg enrofloxacin in fish to 4.04%, representing more than a sixfold improvement in quantitative precision compared with the conventional intensity-based approach. This platform provides a new technical tool for rapid and highly robust screening of trace prohibited analytes in food.
A novel LuSrAlSiO:Sm orange-red phosphor with ultra-high color purity for WLEDs and anti-counterfeiting inks.
Wang K, Pan C, Tian Z … +5 more , Yuan C, Li Y, Chen H, Cui R, Guo X
Spectrochim Acta A Mol Biomol Spectrosc · 2026 Jul · PMID 42398324 · Publisher ↗
A novel class of orange-red emitting LuSrAlSiO:xSm phosphors was synthesized via a high-temperature solid-state reaction. Rietveld refinement confirmed that Sm3+ dopants successfully substitute Lu sites within the cubic...
A novel class of orange-red emitting LuSrAlSiO:xSm phosphors was synthesized via a high-temperature solid-state reaction. Rietveld refinement confirmed that Sm3+ dopants successfully substitute Lu sites within the cubic garnet matrix. Under 405 nm near-ultraviolet excitation, the phosphors exhibit intense orange-red emissions, with the dominant peak at 618 nm originating from the G → H transition. Investigations reveal that the maximum luminescence output is achieved at a doping level of x = 0.03. Beyond this point, the concentration quenching process is dominated by dipole-dipole interactions, with the critical energy transfer distance calculated to be 18.88 Å. The optimized phosphor (x = 0.03) exhibits an internal quantum efficiency of 16.7% and a fluorescence lifetime of 2.16 ms. It demonstrates robust thermal stability, retaining 68% of its initial intensity at 423 K. The activation energy governing this thermal quenching process is determined to be 0.187 eV. All single-doped samples exhibit ultra-high color purity exceeding 98.4%. By blending the LuSrAlSiO:0.03Sm phosphor with commercial blue/green phosphors on a 405 nm n-UV chip, a high-performance white light-emitting diodes device were fabricated, achieving a warm correlated color temperature of 4318 K and a high color rendering index of 84.53. Furthermore, its successful application as security inks across diverse substrates confirms LuSrAlSiO:0.03Sm as a highly promising dual-functional material for advanced solid-state lighting and optical anti-counterfeiting.
Study on the phycoremediation of aqueous chromium (VI) ion by Haematococcus pluvialis through FTIR spectroscopy.
Liu J, Ren X, Wang Z … +5 more , Liu H, Zhu C, Li Y, Zhou H, Liu X
Spectrochim Acta A Mol Biomol Spectrosc · 2026 Jun · PMID 42398323 · Publisher ↗
Bioremediation of industrial heavy metal ions from wastewaters by microalgae has been becoming a major approach for their environmentally friendly and highly efficient abilities. While the removal efficiency and mechanis...
Bioremediation of industrial heavy metal ions from wastewaters by microalgae has been becoming a major approach for their environmentally friendly and highly efficient abilities. While the removal efficiency and mechanism vary significantly among various microalgal species. Herein, the batch experiments for the biosorption and bioreduction of low-concentration chromium (VI) by three cellular stages of Haematococcus pluvialis were performed to investigate the underlying parameters for heavy metals removal. The results demonstrated that the tolerance threshold of chromium (VI) for green vegetative cells and yellow intermediate cells was 3 mg/L, which was lower than the value of 4 mg/L observed for red encysted cells. Accordingly, the cellular physiological status, including growth rates, pigment contents, and cellular morphology, was thoroughly evaluated via biochemical assays. All these distinct cellular characteristics were found to be closely associated with chromium (VI) tolerance. Additionally, Fourier transform infrared (FTIR) approach combined principal component analysis was further employed to comprehensively assess the vital changes of algal cellular components such as astaxanthin and β-carotene which contributed to the variations in biosorption and bioreduction of aqueous chromium (VI) ions. Consequently, it demonstrates that FTIR spectroscopy is a highly effective and reliable tool for elucidating the underlying mechanisms of heavy metal ions removal by evaluating the cellular physiological characteristics based on chemometrics, and it even presents a novel and practical strategy to rapidly identify the potential algal candidates for the phycoremediation of industrial wastewater contaminated by heavy metal ions.
A near-infrared ratiometric fluorescence probe for mitochondrial HO imaging in biosystems and water samples.
Wang M, Wang L, Gao H … +2 more , Zhao A, Zhang D
Spectrochim Acta A Mol Biomol Spectrosc · 2026 Jul · PMID 42391903 · Publisher ↗
Hydrogen peroxide (HO) is a crucial signaling molecule involved in various physiological and pathological processes. Mitochondria are the primary site of endogenous HO generation, and its dysregulation is closely linked...
Hydrogen peroxide (HO) is a crucial signaling molecule involved in various physiological and pathological processes. Mitochondria are the primary site of endogenous HO generation, and its dysregulation is closely linked to diseases such as cancer and neurodegenerative disorders. Therefore, developing robust tools for real-time, accurate, and in-situ HO detection is of great significance. Herein, we report a novel near-infrared (NIR) ratiometric fluorescent probe, NIR1, designed for the selective imaging of mitochondrial HO. The probe utilizes a hemicyanine scaffold and a boronate ester as the specific HO recognition group. Upon reaction with HO, NIR1 exhibits a distinct ratiometric fluorescence signal change (F/F) in the NIR region, accompanied by a visible color shift from blue to light green. This probe demonstrates high sensitivity (detection limit: 15.8 nM), excellent selectivity, and a fast response time (40 min). Crucially, NIR1 shows outstanding mitochondrial targeting capability (Pearson coefficient: 0.9792) and good biocompatibility. It has been successfully applied to monitor both exogenous and endogenous HO fluctuations in living cells via confocal microscopy. Furthermore, NIR1 is effective for the quantitative determination of HO in various real water samples with satisfactory recoveries. This work provides a promising NIR ratiometric tool for investigating HO-related physiological and pathological events at the subcellular level.
Sensitive detection of prostate cancer antigen 3 (PCA3) in urine based upon CRISPR/Cas12a and gold nanorods (AuNRs).
Liao W, Li S, Wu S … +5 more , Yang X, Liu B, Ling L, Zeng Q, Zhang J
Spectrochim Acta A Mol Biomol Spectrosc · 2026 Jun · PMID 42391902 · Publisher ↗
Prostate Cancer Antigen 3, a type of long non-coding RNA, exhibits outstanding specificity as a biomarker for the diagnosis of prostate cancer, offering a highly effective diagnostic indicator, whereas the currently used...
Prostate Cancer Antigen 3, a type of long non-coding RNA, exhibits outstanding specificity as a biomarker for the diagnosis of prostate cancer, offering a highly effective diagnostic indicator, whereas the currently used prostate specific antigen exhibits low specificity, leading to reduced accuracy in prostate cancer diagnosis. Herein, we designed a novel fluorescent sensing platform for targeted detection of PCA3, which integrates the non-specific trans-cleavage activity of the CRISPR/Cas12a with the remarkable fluorescence quenching effect of Gold Nanorods. The Cas12a recognizes and binds to specific sequences of PCA3, thereby activating nonspecific cleavage activity, which cleaves fluorescent reporter probes adsorbed on AuNRs, thus leading to the recovery of fluorescence signals and enabling sensitive detection. The proposed fluorescent sensor exhibits excellent accuracy and convenience for the detection of PCA3 in urine, and a detection limit as low as 1.65 pM was obtained. This sensing system has achieved effective detection of clinical samples of prostate cancer and is expected to provide significant assistance in the screening and therapeutic feedback of prostate cancer in clinical diagnosis.
Spectroscopic, photometric, and radiation shielding studies of europium-activated red-emitting magnesium borosilicate glasses.
Sunkanna TR, Chengaiah T, Borelli DPR … +5 more , Perişanoğlu EK, Saltik S, Doddoji R, Lavanya M, Moulika G
Spectrochim Acta A Mol Biomol Spectrosc · 2026 Jun · PMID 42391901 · Publisher ↗
This work explores the spectroscopic, photometric, laser-related, and radiation-shielding properties of magnesium borosilicate glasses, BSMCPN: B₂O₃-SiO₂-MgO-CS₂CO₃-PbCl₂-NaCl, activated with varying amounts of europium...
This work explores the spectroscopic, photometric, laser-related, and radiation-shielding properties of magnesium borosilicate glasses, BSMCPN: B₂O₃-SiO₂-MgO-CS₂CO₃-PbCl₂-NaCl, activated with varying amounts of europium (Eu). Unlike many previously reported Eu-doped glass systems that mainly focus on luminescence behavior, the present study provides a combined evaluation of red-emission performance, laser parameters, photon attenuation, buildup factors, and effective removal cross-section within the same glass matrix. The functional groups of the glasses were studied by FTIR spectroscopy, while optical absorption was analyzed using Tauc and Urbach plots to determine the energy gap values, which decreased from 3.29 to 3.14 eV. The intense excitation transition at 465 nm, assigned to F → D and referred to as the zero phonon line (ZPL), was used to estimate the phonon energy of the host glass as 1248 cm. With increasing Eu content, the Judd-Ofelt parameters Ω and lifetimes of 2.11-2.42 ms were obtained, while intrinsic emission quantum yield (Φ) increased from 66% to 76% with decreasing non-radiative decay rates from 160 to 99 s. Considering the importance of the D → F red emission, the BSMCPNEu15 glass was evaluated from a laser perspective, showing an emission cross-section of 11.81 × 10 cm, optical gain of 27.75 × 10 cms, and gain bandwidth of 148.68 × 10 cm. The photometric parameters of the red-emitting glasses were also assessed, giving chromaticity coordinates around (0.6104, 0.3411), color purity values of 70-94%, and correlated color temperatures below 1250 K. The mass attenuation coefficients of the prepared glass system were systematically evaluated over a broad photon energy range from 15 keV to 15 MeV, and the variation of photon buildup factors with penetration depth was also analyzed at 0.5 MeV. Among the studied compositions, BSMCPNEu20 exhibited superior radiation-shielding performance, with an effective removal cross-section (Σ) value of 0.09769 cm. These combined optical, photometric, laser, and shielding results indicate that BSMCPNEu glasses can be considered multifunctional candidates for red-emitting photonic devices and radiation-shielding applications.
Benzothiadiazole-based covalent organic frameworks with red-light emission for visual detection of norfloxacin.
Shuai Y, Ye M, Du Y … +4 more , Lin C, Zhu Y, Wang L, Song Y
Spectrochim Acta A Mol Biomol Spectrosc · 2026 Jun · PMID 42385628 · Publisher ↗
In view of the widespread application of norfloxacin (NOR) and the potential environmental and health risks posed by its residues, a visual approach for the portable yet efficient detection of NOR was presented by using...
In view of the widespread application of norfloxacin (NOR) and the potential environmental and health risks posed by its residues, a visual approach for the portable yet efficient detection of NOR was presented by using red-light covalent organic frameworks (COFs) based on benzothiadiazole (BTD) as the linkage center. The aggregation-caused quenching (ACQ) effect of BTD-COFs could be suppressed effectively by precisely designing another monomer's structure to enhance the fluorescence of BTD-COFs. Leveraging the red fluorescence of BTD-COFs and the intrinsic blue emission of NOR, ratiometric fluorescence sensors were constructed, achieving visual detection of NOR. Among these BTD-COFs, the COF can enrich NOR well owing to its appropriate pores and numerous hydroxyl groups, showing best performance for NOR detection with a detection limit of 0.012 μM and a linear range of 0.036-18.08 μM. More importantly, it displayed a distinct and vivid multicolor fluorescence change from red to pink, purple, and finally blue under UV light during NOR detection, enabling visual discrimination by the naked eye. When combined with a smartphone APP, the sensor enabled portable and visual monitoring NOR, exhibiting a detection limit of 0.45 μM and a linear range of 1.35 μM to 30.1 μM. This study not only provides new ideas for designing COFs with red-light emission but also showcases their broad potential applications in environmental monitoring and food safety detection.
Photophysical behavior of mono- and bis(2'-hydroxyphenyl)-6-(4'-diphenylaminophenyl)pyrimidines: Interplay of ESIPT, ICT, and vibrational nonradiative decay.
Diguet C, Rodríguez-López J, Fernández-Liencres MP … +4 more , Navarro A, Gauthier S, Guen FR, Achelle S
Spectrochim Acta A Mol Biomol Spectrosc · 2026 Jun · PMID 42385344 · Publisher ↗
Mono- and bis(2'-hydroxyphenyl)-6-(4'-diphenylaminophenyl)pyrimidines were investigated to elucidate the interplay between excited-state intramolecular proton transfer (ESIPT), intramolecular charge transfer (ICT), and v...
Mono- and bis(2'-hydroxyphenyl)-6-(4'-diphenylaminophenyl)pyrimidines were investigated to elucidate the interplay between excited-state intramolecular proton transfer (ESIPT), intramolecular charge transfer (ICT), and vibrational non-radiative decay processes governing their photophysical properties. Under neutral conditions, all compounds exhibit extremely low fluorescence quantum yields. Time-dependent density functional theory (TD-DFT) calculations indicate that proton transfer is energetically accessible in the excited state; however, the absence of a significant decrease in oscillator strength upon enol-keto conversion demonstrates that ESIPT does not lead to a dark excited state and is not the dominant deactivation pathway. Analysis of vibrational reorganization energies and Huang-Rhys factors reveals strong coupling between the electronic transition and low-frequency vibrational modes, suggesting that vibrationally assisted internal conversion plays a major role in fluorescence quenching. Upon protonation of the pyrimidine nitrogen atoms, marked bathochromic shifts are observed, accompanied by suppression of the ESIPT pathway and enhancement of ICT character. Nevertheless, fluorescence remains weak in polar media, consistent with efficient non-radiative decay from stabilized charge-transfer states, and increases in less polar solvents. Overall, these results highlight the complex interplay between ESIPT, ICT, and vibrational coupling in these pyrimidine-based chromophores, with vibrationally assisted non-radiative decay emerging as a dominant contribution to their excited-state deactivation.
Lanthanide-based metal-organic gels for flexible X-ray imaging.
Shan R, Guo J, Cao J … +4 more , Yang Z, Fang X, Guo H, Li H
Spectrochim Acta A Mol Biomol Spectrosc · 2026 Jun · PMID 42385343 · Publisher ↗
Flexible X-ray imaging technology requires scintillators that combine excellent flexibility and high stability. Although traditional inorganic scintillators offer good performance, their brittleness and demanding synthes...
Flexible X-ray imaging technology requires scintillators that combine excellent flexibility and high stability. Although traditional inorganic scintillators offer good performance, their brittleness and demanding synthesis conditions limit their applications. In this work, a series of lanthanide-based metal-organic gels (Ln-MOGs, Ln = Tb, Eu), named Ln-CPTPY, was prepared through a facile one-pot method at room temperature. Through adjusting molar ratio of Tb and Eu ions, we achieved tunable emission color from green to red in both photoluminescence and X-ray excited luminescence modes. Upon X-ray irradiation, Ln-MOGs displayed a linear response to X-ray dose rates and good irradiation stability. Notably, the nanoscale MOGs powders were readily dispersed in polydimethylsiloxane without pre-treatment, producing uniform flexible scintillator membranes. These membranes enabled high-resolution X-ray imaging of complex objects, achieving a spatial resolution of approximately 14 lp mm, while their flexibility supported multi-dimensional radio-imaging that displayed the internal structure of flexible devices. This study demonstrates the good potential of Ln-MOGs as multifunctional materials in advanced radio-imaging applications.
Non-destructive identification of mineral pigments in painted cultural heritage based on hyperspectral imaging technology.
Yang H, Zhou X, Li X … +2 more , Peng L, Zhao G
Spectrochim Acta A Mol Biomol Spectrosc · 2026 Jun · PMID 42385342 · Publisher ↗
Accurate identification of mineral pigments is fundamental to the conservation and digital restoration of painted cultural heritage. However, traditional survey methods suffer from limitations such as strong subjectivity...
Accurate identification of mineral pigments is fundamental to the conservation and digital restoration of painted cultural heritage. However, traditional survey methods suffer from limitations such as strong subjectivity, destructive physical sampling, and difficulty in achieving macroscopic global mapping. Taking the reclining Buddha at the Baoding Mountain Rock Carvings in Dazu as a representative case, an intelligent hyperspectral-imaging-based framework is proposed for mineral pigment identification and spatial distribution visualization. The main pigments found are terracotta, ultramarine, paris green, and carbon black. Savitzky-Golay smoothing and Min-Max normalization were applied to the spectral data in the 400-1000 nm range, which effectively eliminated the influence of random noise. Competitive adaptive reweighted sampling and continuous projection algorithms were used to screen feature wavelengths, successfully reducing collinearity redundancy in high-dimensional data. After constructing and evaluating four classification models (RF, SVM, KNN, and LightGBM), among the four classical classifiers evaluated, SVM demonstrated the best noise resistance and robustness, and was able to effectively identify typical pigments such as terracotta, ultramarine, Paris green, and carbon black, while effectively removing interference from complex bedrock backgrounds.Based on the established mapping benchmarks, a large-scale, time-series dynamic monitoring framework suitable for preventive conservation can be further developed. This study provides an efficient and objective technical approach for the accurate identification and data-driven protection of cultural heritage in high-humidity environments.
Dual-DNA nanoball-mediated 3D catalytic hairpin assembly for in situ imaging of miRNA-155 in living cells.
Chen J, Zhang Q, Liu Y … +8 more , Hu J, Wang Y, Wu D, Ding L, Wang Y, Jian N, Zang W, Yu F
Spectrochim Acta A Mol Biomol Spectrosc · 2026 Jun · PMID 42385341 · Publisher ↗
MicroRNA-155 (miR-155) is a key oncogenic driver in lung cancer, making sensitive in situ imaging essential for early diagnosis. Conventional catalytic hairpin assembly (CHA)-based methods suffer from poor probe stabilit...
MicroRNA-155 (miR-155) is a key oncogenic driver in lung cancer, making sensitive in situ imaging essential for early diagnosis. Conventional catalytic hairpin assembly (CHA)-based methods suffer from poor probe stability, low cellular uptake, and nonspecific signal leakage. To address these issues, we developed a dual-DNA nanoball-mediated three-dimensional CHA (DNB-3DCHA) system for in situ imaging of miR-155 in living lung cancer cells. Two functionalized DNA nanoballs anchor the two CHA hairpin probes (H1 and H2) on their surfaces, respectively. After endocytosis, target miR-155 specifically triggers the 3D-CHA reaction on nanoball surfaces, leading to exponential fluorescence amplification. This "split-loading, activation-after-entry" strategy decouples probe delivery from activation, minimizing background leakage, while the rigid nanoball architecture provides robust nuclease protection. Using lung cancer cells as a model, we demonstrate that DNB-3DCHA enables high-contrast, spatiotemporally controlled in situ imaging of miR-155 with excellent specificity and signal-to-noise ratio, offering a promising tool for cancer diagnostics.
Turn-on fluorescent assay based on nitrogen-doped carbon dots and aptamer for low-background detection of kanamycin.
Limin Guo, Yang Y, Hu X … +3 more , Guo L, Ren L, Wang K
Spectrochim Acta A Mol Biomol Spectrosc · 2026 Jun · PMID 42385340 · Publisher ↗
This study presents a low-background "turn-on" fluorescent assay for sensitive trace kanamycin (KANA) detection. Nitrogen-doped carbon dots (N-CDs) efficiently quench ∼80% of the fluorescence of the FAM-labeled KANA Apta...
This study presents a low-background "turn-on" fluorescent assay for sensitive trace kanamycin (KANA) detection. Nitrogen-doped carbon dots (N-CDs) efficiently quench ∼80% of the fluorescence of the FAM-labeled KANA Aptamer (F-APT) via electrostatic adsorption, establishing a stable, low-fluorescence baseline. Upon binding KANA, F-APT folds into a stable hairpin structure, drastically reducing its affinity for N-CDs and fully restoring FAM fluorescence. The assay offers a linear range of 5-200 nmol/L and a limit of detection (LOD) of 1.67 nmol/L (S/N = 3). For real samples, honey and milk require only centrifugation and dilution, yielding spike recoveries of 89.9-108.7%. Critically, the method is enzyme-free, separation-free, instrumentally simple, and highly selective against common coexisting antibiotics- demonstrating reliability and practical utility for trace KANA detection in food.
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