Analytica Chimica Acta最新文献

{"title":"Triphenylmethyl-based carbon biradical nanoparticles for magnetic resonance imaging","authors":"Wenjia Tan ,&nbsp;Xinru Li ,&nbsp;Jiajing Zhu ,&nbsp;Yihan Zhao ,&nbsp;Wenzhao Wang ,&nbsp;Feng Li","doi":"10.1016/j.aca.2025.343897","DOIUrl":"10.1016/j.aca.2025.343897","url":null,"abstract":"<div><div>In recent years, luminescent carbon radicals have emerged as a promising functionalized material, with a primary focus on harnessing the potential of mono-radicals. The greater spin density exhibited by a single molecule in biradicals undoubtedly provides greater research value for its magnetic properties. Conventional metallic contrast agents represent the predominant choice in magnetic resonance imaging (MRI) of clinical applications. However, the accumulation of metal ions within the body poses potential safety risks. Hence, the exploration of innovative metal-free organic magnetic nanomaterials offers a safer alternative. This work introduces an innovative approach, presenting the first metal-free carbon-radical-based MRI contrast agent by encapsulating luminescent triphenylmethyl biradicals into nanoparticles (TTM-PhTTM NPs). These biradical NPs exhibit high water solubility, low cytotoxicity, and stability in highly reductive environments. Notably, TTM-PhTTM NPs maintained a strong electron paramagnetic resonance (EPR) signal even after exposure to ascorbic acid for 24 h, and cell viability remained above 80 % even at concentrations up to 1400 μg/mL. Moreover, TTM-PhTTM NPs demonstrated a T₁ longitudinal relaxation rate of 0.35 mM⁻¹s⁻¹, one of the highest recorded for metal-free organic magnetic nanomaterials. Following a 6-h incubation period, significant enhancements in imaging contrast were observed, with T₁ signal intensities increasing as the concentration of TTM-PhTTM NPs increased. This study paves the way for the utilization of stable, biocompatible carbon-based radicals as MRI contrast agents, underscoring their potential for safe and effective biomedical imaging applications and providing a solid foundation for further development of carbon radical-based imaging technologies.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1352 ","pages":"Article 343897"},"PeriodicalIF":5.7,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143570261","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}

{"title":"Rapid separation and quantification of trace titanium dioxide with sizes down to 20 nm in environmental waters","authors":"Lijie Dong ,&nbsp;Xiao He ,&nbsp;Jingbo Chao","doi":"10.1016/j.aca.2025.343905","DOIUrl":"10.1016/j.aca.2025.343905","url":null,"abstract":"<div><h3>Background</h3><div>Titanium dioxide nanoparticles (TiO₂ NPs) are commonly used in consumer products, leading to their release into the environment and raising concerns about their potential human health risks. Smaller TiO₂ NPs penetrate cell membranes more easily and exhibit stronger bio-toxicity than larger particles. However, methods for analyzing small TiO₂ NPs are limited.</div></div><div><h3>Results</h3><div>A robust method to identify and quantify TiO₂ NPs with size down to 20 nm within 5 min was developed, based on size-exclusion chromatography coupled with inductively coupled plasma mass spectrometry. To address the issue of column adsorption, salicylaldoxime (SO, 0.1 %) was used to complex ionic Ti and surfactant FL-70 (2 %) was used as the coating agent for TiO₂ NPs in the mobile phase. Work conditions including column type, SO concentration, and FL-70 content were optimized. Consequently, the method successfully separated and quantified TiO₂ NPs and ionic Ti species, with detection limits of 2.23 ng/mL for TiO₂ NPs and 2.10 ng/mL for ionic Ti, meeting most application needs. Spiked recoveries of TiO₂ NPs in environmental water samples ranged from 82.75 % to 95.09 %, verifying the method's practicality.</div></div><div><h3>Significance</h3><div>This method provides a powerful tool for rapid screening of smaller TiO₂ NPs-containing environmental waters. Furthermore, the strategy proposed in this study to overcome column adsorption provides a useful model for the SEC separation and determination of other trace metal nanoparticles.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1351 ","pages":"Article 343905"},"PeriodicalIF":5.7,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143569847","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}

{"title":"Rapid microwave assisted synthesis of N-doped CQDs for highly selective ‘turn-off’ sensing of Bismuth(III) ions in wastewater","authors":"Anoushka ,&nbsp;Manviri Rani ,&nbsp;Uma Shanker","doi":"10.1016/j.aca.2025.343904","DOIUrl":"10.1016/j.aca.2025.343904","url":null,"abstract":"<div><div>The growing utilization of bismuth across diverse industries and pharmaceuticals has raised concerns about its environmental accumulation and the potential for neurotoxic and nephrotoxic effects in humans. Currently available techniques for its detection are often complex and costly, making CQDs an appealing alternative due to their low toxicity, cost-effectiveness, and ease of synthesis. Herein, a novel, environmentally sustainable one-pot microwave-assisted method for the synthesis of nitrogen-doped carbon quantum dots (N-CQDs) has been reported for the selective and sensitive detection of bismuth ions (Bi³⁺). The synthesized N-CQDs, with an impressive quantum yield of 47.5 %, exhibited remarkable stability and were applied as fluorescent sensors for detecting Bi³⁺ ions, achieving highly selective detection through fluorescence quenching. The detection limit was calculated to be 0.365 μM within a linear concentration range of 0.95–61.5 μM, with the quenching mechanism identified as dynamic quenching via a photoinduced electron transfer (PET) process. The practical applicability of this sensing platform was demonstrated through the analysis of various real-world samples, including tap water, industrial wastewater and agricultural runoff, with recovery rates ranging from 98.7 % to 101.6 %. The applications of these N-CQDs as fluorescent ink and in anti-counterfeiting were demonstrated. Further, the N-CQDs were combined with an RGB analysis tool to detect Bi³⁺. This method-notable for its simplicity, cost-efficiency, and scalability-offers a sustainable and effective approach for detecting Bi³⁺ ions in various environmental contexts, presenting a significant advancement in the field of metal ion sensing.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1351 ","pages":"Article 343904"},"PeriodicalIF":5.7,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143560986","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}

{"title":"A dummy template molecularly imprinted polymer-coated fiber array extraction for simultaneous HPLC analysis of eight biogenic amines in fermented horse milk","authors":"Adila Muhtar ,&nbsp;Pengli Jian ,&nbsp;Turghun Muhammad ,&nbsp;Jia Zhao ,&nbsp;Almire Dolkun ,&nbsp;Tiantian Zhou ,&nbsp;Sergey A. Piletsky","doi":"10.1016/j.aca.2025.343901","DOIUrl":"10.1016/j.aca.2025.343901","url":null,"abstract":"<div><h3>Background</h3><div>Biogenic amines (BAs) are low molecular weight nitrogenous compounds present in various foods. While physiologically essential in trace amounts, elevated concentrations of BAs pose health risks, including serving as precursors to carcinogens. In fermented foods such as kumiss—a traditional fermented horse milk—the quantitative assessment of BAs is critical due to their health implications. However, the wide range of log<em>P</em> and p<em>Ka</em> values among BAs presents significant challenges for their simultaneous extraction and accurate analysis.</div></div><div><h3>Result</h3><div>This study introduces a novel approach for the simultaneous extraction of eight BAs in kumiss using dummy molecularly imprinted polymer (DMIP) coated fibers. The DMIP was synthesized using diethylamine dansyl chloride as a derivatized template, enabling selective recognition of eight BA derivatives. The fabricated coated fibers, which are reusable and cost-effective, were integrated into an array device for high-throughput solid-phase microextraction (SPME), achieving an average extraction time of less than 2 min per sample. The SPME method demonstrated high recoveries (70.06–110.92 %) when coupled with high-performance liquid chromatography (HPLC) analysis. Linear calibration curves were established between the peak area and the concentration of BAs over the range of 0.2–10 mg L⁻¹, with high regression coefficients (&gt;0.99) and low detection limits (0.025–0.123 mg L⁻¹). The DMIP coated fiber array extraction device provided highly selective and efficient separation of BA derivatives from complex matrices, as successfully demonstrated using kumiss samples.</div></div><div><h3>Significance and novelty</h3><div>This study presents a novel dummy molecular imprinting strategy for the fabrication of DMIP coated fiber array for SPME, addressing the limitations of traditional methods in the simultaneous recognition of structurally diverse BAs. This approach significantly enhances the efficiency and selectivity of BA analysis, which is essential for the quality control of fermented foods.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1352 ","pages":"Article 343901"},"PeriodicalIF":5.7,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143560988","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}

{"title":"Nicking endonuclease-mediated primer exchange reaction for rapid and sensitive miRNA detection","authors":"Fei Ding,&nbsp;Xiaomin Hang,&nbsp;Sen Tian,&nbsp;Wei Cao,&nbsp;Jingwen Wu,&nbsp;Li Wang","doi":"10.1016/j.aca.2025.343902","DOIUrl":"10.1016/j.aca.2025.343902","url":null,"abstract":"<div><div>Primer exchange reaction (PER) is a novel and simple nucleic acid-templated extension technique that has recently attracted much attention in the field of biosensing. However, current PER reactions have shown relatively slow rates and low amplification performances, resulting in long assay times and limited detection sensitivities. Here we report a nicking endonuclease-mediated PER reaction (named NEPER) that rapidly releases amplified DNA products by adding a nicking endonuclease to hydrolyze the hybridized double-stranded DNA (dsDNA), and consequently has a maximum speed that is thirty orders of magnitude greater than the maximum for conventional PER. We further combined a CRISPR/Cas12a signal readout technique and developed a cascade NEPER-CRISPR/Cas12a method that can detect miRNA-155 with a limit of detection (LOD) down to 3.1 fM. We also show that the NEPER-CRISPR/Cas12a can be used to detect targets in serum samples.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1351 ","pages":"Article 343902"},"PeriodicalIF":5.7,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143560985","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}

{"title":"Self-priming isothermal polymerization engineered in-situ copper nanoparticles generation for one-tube biomarkers sensing","authors":"Shasha Zeng ,&nbsp;Jintao Chen ,&nbsp;Chunjiao Qi ,&nbsp;Guobin Mao ,&nbsp;Yuhui Shang ,&nbsp;Yu Yang ,&nbsp;Jinyang Chen","doi":"10.1016/j.aca.2025.343903","DOIUrl":"10.1016/j.aca.2025.343903","url":null,"abstract":"<div><h3>Background</h3><div>On the one hand, for most of isothermal polymerization-based biosensing, the detection signals are uniformly originated from non-specific fluorescent staining that usually leads to high background or false positive, which limited their applications in molecular diagnostics. On the other hand, in virtue of characteristic advantages including but not limited to short preparation time (&lt;5 min), large Stokes shift (&gt;230 nm) and high template dependence, DNA-templated copper nanoparticles (CuNPs) enable low-cost and label-free signal transduction in low-background fluorescent sensing, which thus are ideal candidates for signal sources in promising molecular diagnostics.</div></div><div><h3>Results</h3><div>Herein, we developed highly sensitive and label-free methods for one-tube biomarkers sensing based on self-priming isothermal polymerization (SPIP) engineered in-situ generation of DNA-templated CuNPs. As the core element for SPIP, a dumbbell-shaped primary DNA is rationally designed to consist of adenine/thymine (AT)-rich stem-loop structure and phosphorothioate (PS)-modified DNA hairpin. Once initiated by polymerase, enzymatic extension and self-folding alternately occurred on the primary DNA, which resulted in accumulation of numerous AT-rich templates repeatedly included in the elongated dsDNA products, and ultimately enabled rapid formation of fluorescent CuNPs. By virtue of alkaline phosphatase (ALP)-catalyzed dephosphorylation to generate 3′-OH available for polymerization, the strategy of SPIP engineered CuNPs generation was successfully adapted to sensitive ALP detection. Moreover, by utilizing apurinic/apyrimidinic endonuclease 1 (APE1)-triggered conformation transformation of probe DNA to produce primary DNA, sensitive APE1 sensing was also realized with this self-contained isothermal amplification approach.</div></div><div><h3>Significance</h3><div>Benefiting from the robustness and simplicity of SPIP engineered CuNPs generation, the sensing methods enabled accurate analysis of real samples including ALP assay in clinical human serum and APE1 determination in normal and cancer cells. In brief, this work provides a new vision for nano-signal amplification and a promising sensing strategy for molecular diagnostics.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1351 ","pages":"Article 343903"},"PeriodicalIF":5.7,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143546782","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}

{"title":"Novel probabilistic similarity scores for sets of replicate EI mass spectra","authors":"Amudhan Krishnaswamy-Usha ,&nbsp;Briana A. Capistran ,&nbsp;Anthony J. Kearsley","doi":"10.1016/j.aca.2025.343858","DOIUrl":"10.1016/j.aca.2025.343858","url":null,"abstract":"<div><h3>Background:</h3><div>Mass spectra are common signatures used to discriminate between compounds. This often involves the use of a <em>similarity score</em> to classify and distinguish between spectra of different compounds. To separate spectra of structurally similar compounds, multiple authors have explored the use of statistical and probabilistic methods applied to replicate mass spectra. In this paper, we explore the use of various averaged versions of the Kolmogorov–Smirnov and <em>t</em>-test statistics to compare peak intensities for sets of replicate mass spectra.</div></div><div><h3>Results:</h3><div>Using replicate gas chromatography electron ionization (GC-EI-MS) mass spectra of 25 forensically relevant compounds, we compare the ‘library match’ and total classification accuracy of our novel probabilistic similarity scores versus the ‘high dimensional consensus’ (HDC) score and other similarity scores previously used in this context. We show that the use of the harmonic mean of the Kolmogorov–Smirnov test statistics obtained from peak intensities results in accuracies comparable to the HDC score.</div></div><div><h3>Significance:</h3><div>Our results provide novel probabilistic similarity scores for replicate EI mass spectra, which outperform traditional scoring methods while at the same time minimizing the number of user-defined parameters and avoiding assumptions about the distributions of peak intensities.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1351 ","pages":"Article 343858"},"PeriodicalIF":5.7,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143546784","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}

{"title":"Measuring the severity of knee osteoarthritis with an aberration-free fast line scanning Raman imaging system","authors":"Changwei Jiao ,&nbsp;Jiajing Ye ,&nbsp;Jiaqi Liao ,&nbsp;Jialun Li ,&nbsp;Junbo Liang ,&nbsp;Sailing He","doi":"10.1016/j.aca.2025.343900","DOIUrl":"10.1016/j.aca.2025.343900","url":null,"abstract":"<div><div>Osteoarthritis (OA) is a major cause of disability worldwide, with symptoms like joint pain, limited functionality, and decreased quality of life, potentially leading to deformity and irreversible damage. Chemical changes in joint tissues precede imaging alterations, making early diagnosis challenging for conventional methods like X-rays. Although Raman imaging provides detailed chemical information, it is time-consuming. This paper aims to achieve rapid osteoarthritis diagnosis and grading using a self-developed Raman imaging system combined with deep learning denoising and acceleration algorithms. Our self-developed aberration-corrected line-scanning confocal Raman imaging device acquires a line of Raman spectra (hundreds of points) per scan using a galvanometer or displacement stage, achieving spatial and spectral resolutions of 2 μm and 0.2 nm, respectively. Deep learning algorithms enhance the imaging speed by over 4 times through effective spectrum denoising and signal-to-noise ratio (SNR) improvement. By leveraging the denoising capabilities of deep learning, we are able to acquire high-quality Raman spectral data with a reduced integration time, thereby accelerating the imaging process. Experiments on the tibial plateau of osteoarthritis patients compared three excitation wavelengths (532, 671, and 785 nm), with 671 nm chosen for optimal SNR and minimal fluorescence. Machine learning algorithms achieved a 98 % accuracy in distinguishing articular from calcified cartilage and a 97 % accuracy in differentiating osteoarthritis grades I to IV. Our fast Raman imaging system, combining an aberration-corrected line-scanning confocal Raman imager with deep learning denoising, offers improved imaging speed and enhanced spectral and spatial resolutions. It enables rapid, label-free detection of osteoarthritis severity and can identify early compositional changes before clinical imaging, allowing precise grading and tailored treatment, thus advancing orthopedic diagnostics and improving patient outcomes.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1351 ","pages":"Article 343900"},"PeriodicalIF":5.7,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143546783","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Monitoring the level of hydrogen sulfide in arthritis and its treatment with a novel near-infrared fluorescent probe","authors":"Jing-Jing Chao ,&nbsp;Ling Hu ,&nbsp;Jing-Fang Mi ,&nbsp;Guo-Jiang Mao ,&nbsp;Fen Xu ,&nbsp;Liufang Hu ,&nbsp;Juan Ouyang ,&nbsp;Chun-Yan Li","doi":"10.1016/j.aca.2025.343898","DOIUrl":"10.1016/j.aca.2025.343898","url":null,"abstract":"<div><div>Hydrogen sulfide (H₂S) is a physiological gaseous transmitter that plays a crucial role in maintaining the cellular redox state. Arthritis is usually accompanied by redness, swelling, pain, dysfunction and deformity of the joints, and in severe cases can lead to joint disability. Disorders of H₂S level are associated with the pathological process of arthritis. In this paper, a near-infrared fluorescent probe (TX-H₂S) was developed to detect the alterations in H₂S levels of arthritis. TX-H₂S has excellent response performance to H₂S such as near-infrared emission (725 nm), large Stokes shift (125 nm) and high fluorescence enhancement (72-fold). Owing to low cytotoxicity, the probe can be employed to observe the alterations of exogenous and endogenous H₂S level in HeLa and HepG2 cells. By making full use of near-infrared emission and good biocompatibility, the probe can be employed for exogenous H₂S imaging in mice, and is able to track the fluctuation of H₂S level during arthritis and its treatment. These make the probe have the potential to invent an efficient tool for the diagnosis of arthritic disease and its treatment.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1351 ","pages":"Article 343898"},"PeriodicalIF":5.7,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143546787","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}

{"title":"Dual-branch convolutional neural network with attention modules for LIBS-NIRS data fusion in cement composition quantification","authors":"Chenwei Zhang ,&nbsp;Weiran Song ,&nbsp;Yihan Lyu ,&nbsp;Zhitan Liu ,&nbsp;Xinglong Gao ,&nbsp;Zongyu Hou ,&nbsp;Zhe Wang","doi":"10.1016/j.aca.2025.343899","DOIUrl":"10.1016/j.aca.2025.343899","url":null,"abstract":"<div><h3>Background</h3><div>Cement composition, including key oxides such as CaO, SiO₂, Al₂O₃, and Fe₂O₃, plays a critical role in determining cement's strength and durability. Real-time monitoring of these components during cement production is essential for ensuring optimal raw material ratios. Spectroscopic techniques, such as Laser Induced Breakdown Spectroscopy (LIBS) and Near Infrared Spectroscopy (NIRS), offer significant potential for rapid and non-destructive cement analysis, but their individual limitations, such as matrix effects in LIBS and spectral overlap in NIRS, necessitate an integrated method to achieve accurate and stable results.</div></div><div><h3>Results</h3><div>In this study, we propose a novel fusion method based on a dual-branch convolutional neural network with an attention module (DBAM-CNN) to synergize LIBS and NIRS data for enhanced cement component quantification. The dual-branch CNN structure enables feature extraction of atomic and molecular information from LIBS and NIRS data, respectively, optimizing the global task of improving quantitative analysis by capturing complementary information from both spectroscopic techniques. These features are then fused, and spatial and channel attention modules are used to refine the feature weights, enabling the model to effectively capture spectral fingerprint information. Experimental results show that the DBAM-CNN outperforms both existing fusion strategies and single technologies, demonstrating exceptional performance in real-time, high-precision cement composition analysis. SHAP analysis further reveals that the method highlights key features in LIBS and NIRS, leading to enhanced quantitative outcomes.</div></div><div><h3>Significance</h3><div>The proposed DBAM-CNN method significantly enhances cement composition analysis by effectively integrating complementary information from LIBS and NIRS. By addressing issues such as information redundancy and feature loss that are common in existing fusion strategies, this approach offers a more reliable and efficient solution for real-time, high-precision monitoring in cement production. It represents an advancement in spectroscopic data fusion techniques, paving the way for improved cement quality control.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1351 ","pages":"Article 343899"},"PeriodicalIF":5.7,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143546785","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}