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

{"title":"Label-free serum SERS combined with RFE-GBDT algorithm for non-invasive screening of liver cancer","authors":"Jingjing Gao ,&nbsp;Tianyi Lv ,&nbsp;Xianqiong Gong ,&nbsp;Xingen Gao ,&nbsp;Wei Qiao ,&nbsp;Fuqiang Wang ,&nbsp;Junzheng Wu ,&nbsp;Juqiang Lin","doi":"10.1016/j.saa.2026.127552","DOIUrl":"10.1016/j.saa.2026.127552","url":null,"abstract":"<div><div>Early diagnosis of liver cancer is crucial for developing clinical treatment strategies and improving patient survival rates. However, current diagnostic methods are often invasive, complex, and time-consuming, making them unsuitable for early screening in practical settings. Therefore, there is an urgent need to develop efficient and convenient non-invasive diagnostic techniques. This study presents a non-invasive optical diagnostic approach based on surface-enhanced Raman spectroscopy (SERS) and a deep learning algorithm for liver cancer staging identification and auxiliary screening. We systematically collected high-quality SERS spectral data from serum samples of patients with different stages of liver cancer (T1, T2, T3), hepatitis B (HBV), and healthy controls (Normal). Recursive feature elimination (RFE) was employed for feature selection, eliminating redundant spectral bands and retaining features highly relevant to classification, which significantly enhanced the model's discriminative ability. The selected features were input then into a gradient boosting decision tree (GBDT) model. Through residual iterative optimization, the model effectively captured nonlinear feature interactions, and key spectral bands were interpreted using the local interpretable model-agnostic explanations (LIME) algorithm. Compared to other commonly used classifiers such as logistic regression (LR) and random forest (RF), the RFE-GBDT model demonstrated superior performance in liver cancer staging tasks, achieving an accuracy of 92.68% in the five-class classification. The results indicate that the integration of SERS technology with the RFE-GBDT algorithm holds promise as an efficient and non-invasive auxiliary tool for the early diagnosis of liver cancer.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"352 ","pages":"Article 127552"},"PeriodicalIF":4.6,"publicationDate":"2026-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146151597","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":"Ag nanoclusters as nanozyme for detection of Hg2+ based on aggregation enhanced peroxidase-like activity","authors":"Cuifeng Jiang,&nbsp;Yong Zhu,&nbsp;Wanting Han","doi":"10.1016/j.saa.2026.127562","DOIUrl":"10.1016/j.saa.2026.127562","url":null,"abstract":"<div><div>In this study, lysine protected silver nanoclusters (Lys-AgNCs) were prepared and the mimetic property was systematically investigated. The nanoclusters displayed oxidase-like and peroxidase-like activity for the catalytic oxidation of 3, 3′, 5, 5′-tetramethylbenzidine (TMB). Interestingly, the nanozyme property could be tuned by adjusting the pH or temperature. In the low pH (3.6–4.2), oxidase-like activity is predominant. In the high pH(4.2–5.4), peroxidase- like activity is the main activity. In the lower temperature (20–40 °C), oxidase-like activity is predominant. Importantly, the Lys-AgNCs showed stronger affinity for TMB. The activation energy of Lys-AgNCs was lower than bare Ag nanoclusters, indicating a faster reaction rate. In addition, a detection method for Hg²⁺ was designed based on the aggregation enhanced peroxidase-like activity of lysine-Ag nanocluster with limit of detection (LOD) of 0.004 μM. The sensing assay exhibited excellent selectivity owing to the specific interaction between lysine and Hg²⁺ and can be used in tap water with an acceptable recovery rate. Considering the cost-effective of this method, it is proposed to be used in practical application.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"352 ","pages":"Article 127562"},"PeriodicalIF":4.6,"publicationDate":"2026-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146151653","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":"Accurate classification of ependymomas and medulloblastomas using Raman spectroscopy and pilot transcriptomic profiling","authors":"Yuki Kawamoto ,&nbsp;Yoshiko Okita ,&nbsp;Kenta Temma ,&nbsp;Toshiki Kubo ,&nbsp;Yasuaki Kumamoto ,&nbsp;Yasuhiro Fujii ,&nbsp;Keisuke Nishimoto ,&nbsp;Reina Utsugi ,&nbsp;Chisato Yokota ,&nbsp;Ryuichi Hirayama ,&nbsp;Noriyuki Kijima ,&nbsp;Khoo Hui Ming ,&nbsp;Naoki Tani ,&nbsp;Satoru Oshino ,&nbsp;Naoki Kagawa ,&nbsp;Daisuke Motooka ,&nbsp;Katsumasa Fujita ,&nbsp;Haruhiko Kishima","doi":"10.1016/j.saa.2026.127532","DOIUrl":"10.1016/j.saa.2026.127532","url":null,"abstract":"<div><div>Raman spectroscopy enabled accurate discrimination of posterior fossa ependymomas and medulloblastomas in both frozen and formalin-fixed, paraffin-embedded (FFPE) specimens in this retrospective study. We acquired Raman spectra (532 nm excitation) from frozen and FFPE tissues to evaluate a principal component analysis–support vector machine classifier by using fivefold cross-validation. We also performed a pilot spatial transcriptomics analysis on three FFPE sections by using the 10× Genomics Xenium In Situ v2 FFPE workflow. In total, 34 specimens (21 frozen and 13 FFPE) were analyzed, and the classification models achieved &gt;90% accuracy in distinguishing ependymomas from medulloblastomas under spectrum-level fivefold cross-validation, suggesting discriminative biochemical differences, whereas patient-level performance requires further validation in larger cohorts. Ependymomas had higher lipid-associated Raman bands (1084, 1128, and 1654 cm⁻¹), whereas medulloblastomas exhibited higher deoxyhemoglobin-related Raman bands (1356, 1548, and 1604 cm⁻¹). Compared with normal controls, tumor tissues had increased carotenoid-related Raman bands and reduced lipid-associated Raman bands. The observed spectral differences are consistent with differences in lipid-associated composition and the heme/oxygenation-related tissue context, and pilot transcriptomic profiling provided qualitative biological context related to lipid metabolism and angiogenesis. These findings support Raman spectroscopy as a label-free spectroscopic technique that may complement conventional diagnostics and aid surgical and therapeutic decision-making. Larger, prospective studies are warranted to further evaluate the clinical generalizability and intraoperative translation of our results.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"352 ","pages":"Article 127532"},"PeriodicalIF":4.6,"publicationDate":"2026-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146138222","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":"Application of FTIR and PCA-LR metabolites recognition for bergamot essential oil authentication","authors":"Laura Manin ,&nbsp;Giuseppe Oliva ,&nbsp;Maria Giovanna Bianco ,&nbsp;Md. Maruf Hossain ,&nbsp;Srećko Valić ,&nbsp;Syed K. Islam ,&nbsp;Filippo Laganà ,&nbsp;Antonino S. Fiorillo ,&nbsp;Salvatore A. Pullano","doi":"10.1016/j.saa.2026.127561","DOIUrl":"10.1016/j.saa.2026.127561","url":null,"abstract":"<div><div>A rapid method using FTIR-ATR spectroscopy combined with PCA and a classification model was applied to distinguish between natural, synthetic, and adulterated Bergamot essential oil (BEO). Synthetic BEOs are often composed of specific alcohols such as ethanol and dipropylene glycol (DPG), which are used to dilute synthetic metabolites like limonene, linalyl acetate, and linalool. Synthetic BEOs exhibited a distinct peak at 1340 cm⁻¹, linked to C<img>H bending of alcohols or methyl group deformation in artificial esters like linalyl acetate, a peak that is absent in natural BEOs. Additionally, an absorption band between 3600 and 3100 cm⁻¹ indicated the presence of DPG and synthetic ethanol, a byproduct of synthetic linalyl acetate. These findings were validated by comparison with NMR spectroscopy for metabolite recognition. A logistic regression (LR) model using PCA was applied to 369 samples, achieving an overall accuracy of 0.976 ± 0.016 through five-fold cross-validation (CV).</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"352 ","pages":"Article 127561"},"PeriodicalIF":4.6,"publicationDate":"2026-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146159668","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":"Mercaptophenylboronic acid-modified double-layer PEI-Au magnetic probes: an ultrasensitive SERS biosensor for broad-spectrum bacterial capture and specific detection in clinical urine samples","authors":"Siyun Cheng ,&nbsp;Jin Chen ,&nbsp;Xiaodan Cheng ,&nbsp;Shihui Zhu ,&nbsp;Han Shen ,&nbsp;Ping Yang ,&nbsp;Rui Xiao","doi":"10.1016/j.saa.2026.127544","DOIUrl":"10.1016/j.saa.2026.127544","url":null,"abstract":"<div><div>Accurate identification of uropathogens is critical for guiding effective antibiotic treatment. In this study, we developed a surface-enhanced Raman spectroscopy (SERS) biosensor for rapid and sensitive detection of urinary pathogens. The system combines 4-mercaptophenylboronic acid (MPBA)-modified magnetic gold-shell beads (MSAuS@MPBA) for broad-spectrum bacterial capture with 5,5′-dithiobis(2-nitrobenzoic acid) (DTNB)- and antibody-functionalized gold nanoflowers (AuNFs@Ab) as SERS tags. A double-layer polyethyleneimine (PEI)-assisted 3 nm gold seed design was introduced to fabricate hierarchical rough surfaces on MSAuS@MPBA, significantly enhancing SERS signal generation through localized electromagnetic hotspots. The MSAuS@MPBA achieved capture efficiencies exceeding 87.52% for <em>Escherichia coli</em>, <em>Pseudomonas aeruginosa</em>, and <em>Staphylococcus aureus</em> (<em>S. aureus)</em>. Using <em>S. aureus</em> as a model pathogen, the sandwich-type biosensor (MSAuS@MPBA/bacteria/AuNFs@Ab) exhibited a limit of detection (LOD) of 7 CFU mL⁻¹, a wide linear range (10¹–10⁶ CFU mL⁻¹, R² = 0.991), excellent specificity against five interfering urinary tract infection (UTI) bacteria, repeatability (RSD &lt; 6.25%), and robust anti-matrix interference in urine and blood. Clinical validation using urine from UTI patients demonstrated high recovery rates (89.11–116.32%), confirming the sensor's practical applicability. This streamlined (∼50 min), ultrasensitive platform provides a clinically translatable method for point-of-care detection of urinary pathogens.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"352 ","pages":"Article 127544"},"PeriodicalIF":4.6,"publicationDate":"2026-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146159705","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":"Label-free Raman spectroscopy combined with artificial intelligence for functional subtyping of human sperm and prediction of embryo development outcomes","authors":"Boying Gao ,&nbsp;Ning Zhang ,&nbsp;Dexi Bi ,&nbsp;Haijing Zhao ,&nbsp;Yuqin Zhu ,&nbsp;Wenfeng Zeng ,&nbsp;Yan Nie ,&nbsp;Jianing Chen ,&nbsp;Nengyong Ouyang","doi":"10.1016/j.saa.2026.127498","DOIUrl":"10.1016/j.saa.2026.127498","url":null,"abstract":"<div><div>Raman spectroscopy delivers label-free, non-destructive, single-cell measurements and directly senses intrinsic biochemical signals of nucleic acids, proteins, and lipids. Conventional semen analysis offers limited prognostic power for assisted reproductive technology (ART). We developed a single-cell, label-free Raman workflow integrated with artificial intelligence (AI) to assess sperm functional status and predict outcomes of ART. Spectra from sperm of thirty-one ART patients were processed to extract diagnostically informative bands spanning nucleic acids, proteins, lipids, and glycogen. Spectral analysis resolved two robust spectral subpopulations. The subpopulation exhibiting higher chromatin integrity, more favorable protein conformation, and better membrane lipid dynamics molecular features was associated with better outcomes, higher two-pronuclear (2PN) fertilization rate (76.08% vs 50.17%, <em>P</em> = 0.044), high-quality embryo rate (40.53% vs 17.57%, <em>P</em> = 0.010), and blastocyst formation (59% vs 9%, <em>P</em> &lt; 0.001). Among evaluated classifiers, a gated recurrent unit (GRU) model showed the best predictive performance (accuracy 94%, sensitivity 94%, AUC 0.98). This Raman–AI assay enables objective, non-invasive stratification of sperm quality and clinically relevant prognosis, offering an analytically rigorous tool to guide precise sperm selection in ART.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"352 ","pages":"Article 127498"},"PeriodicalIF":4.6,"publicationDate":"2026-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076350","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":"Chitosan–collagen–G-90 film enhances wound closure and collagen remodeling: FTIR imaging and PCA-kNN analysis","authors":"Fatemeh Elmi ,&nbsp;Maryam Mitra Elmi ,&nbsp;Lisa Vaccari ,&nbsp;Diana E. Bedolla","doi":"10.1016/j.saa.2026.127480","DOIUrl":"10.1016/j.saa.2026.127480","url":null,"abstract":"<div><div>Chitosan-based films containing different bioactive components were developed to assess their effect on wound healing in a dermal rat skin tissue. Four formulations pure chitosan, chitosan–collagen (ACS), chitosan conjugated with glycolipoprotein extract from earth worm, namely chitosan–G-90, and a mixture of three constituents, chitosan–ACS–G-90 were compared with an untreated control. 14 days post-injury, wound closure was greatest in the chitosan–ACS–G-90 group. Ratio mapping (1325–1351 cm⁻¹/1190–1357 cm⁻¹) confirmed that the chitosan–ACS–G-90 film provided the most consistent improvement in collagen organization, highlighting its superior role in matrix maturation. Vector-normalized, second-derivative spectra from the protein (1710–1475 cm⁻¹) and fingerprint (1800–900 cm⁻¹) regions revealed treatment-dependent variations in amide I/II profiles, collagen triple-helix markers (1338 cm⁻¹, 1203 cm⁻¹), and distinct absorptions in the carbohydrate associated region (∼1150–1000 cm⁻¹). These bands while often attributed to glycosaminoglycans or other ECM polysaccharides may also include overlapping contributions from collagen side chains and nucleic acid phosphate vibrations (DNA/RNA), reflecting the inherently complex biochemical composition of dermal ECM. Principal Component Analysis (PCA) clearly separated the chitosan–ACS–G-90 group from untreated dermis, with loadings associated with cross-link–related (∼1690 cm⁻¹) and amide I/II bands (∼1658 cm⁻¹, 1566–1543 cm⁻¹). Classification of PCA scores using k-Nearest Neighbors (kNN) achieved high accuracy (AUC = 0.993). These results show that the chitosan–ACS–G-90 accelerates wound closure and enhances collagen remodeling.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"352 ","pages":"Article 127480"},"PeriodicalIF":4.6,"publicationDate":"2026-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076362","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":"Diagnosis of Systemic Lupus Erythematosus (SLE) and Lupus Nephritis (LN) based on a Raman-Metabolomics multimodal re-annotated segment hierarchical fusion model","authors":"Wentao Qin ,&nbsp;Ziyang Zhang ,&nbsp;Xinya Chen ,&nbsp;Wu Xu ,&nbsp;Qianxi Xu ,&nbsp;Chen Chen","doi":"10.1016/j.saa.2025.127355","DOIUrl":"10.1016/j.saa.2025.127355","url":null,"abstract":"<div><div>Significant advances have been achieved in the field of Computer-Aided Diagnosis (CAD) for Systemic Lupus Erythematosus (SLE) and Lupus Nephritis (LN), particularly in the field of multimodal fusion diagnosis. The integration of Raman spectroscopy and metabolomics presents a promising direction for disease diagnosis; however, current Metabolomics-Raman fusion models still encounter challenges such as inadequate interpretability and inefficient utilization of inter-modal interaction information. To address these issues, this study proposes a dedicated multimodal fusion framework for Metabolomics-Raman data, encompassing a Metabolite-Raman re-annotation segmentation method and a Multimodal Segment Hierarchical Fusion Model (MSHFM) constructed based on this method. Through the screening of differential metabolites and the analysis of their superclasses, a mapping relationship was constructed that directly links molecular vibration modes (as identified by Raman spectral wavenumbers) to metabolic superclasses. This approach facilitates metabolically meaningful spectral segmentation, overcoming the limitations of traditional physical partitioning. The MSHFM excavates the correlations between spectral segments and differential metabolites through the Cross-Attention Pre-fusion Module (CAPM), and realizes hierarchical fusion and feature enhancement via the Sample-level Adaptive Multimodal Segment Fusion Module (Slam-SFM). The classification accuracies on the SLE-LN and HC-SLE datasets reach 93.33% and 100%, respectively. We identified key biomarkers such as uric acid and prostaglandin E1 by analyzing the Metabolomics-Raman association patterns using the attention mechanism, which provides an interpretable new method and potential biomarkers for the diagnosis and mechanistic research of SLE and LN.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"352 ","pages":"Article 127355"},"PeriodicalIF":4.6,"publicationDate":"2026-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146115507","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":"Low-cost highlighter nanoparticles for highly efficient multistep excitation energy transfer","authors":"Jonathan Piard ,&nbsp;Ilaria Degano ,&nbsp;Clément Doré ,&nbsp;Jean-Frédéric Audibert ,&nbsp;Chloé Grazon ,&nbsp;Clémence Allain ,&nbsp;Loïc Bertrand","doi":"10.1016/j.saa.2026.127477","DOIUrl":"10.1016/j.saa.2026.127477","url":null,"abstract":"<div><div>Efficient excitation energy transfer (EET) is essential for energy harvesting, optoelectronics, luminescence bioimaging and photothermal medicine. Recent advances in optimised multistep EET systems have expanded the potential of these applications, offering large Stokes shifts, long-range energy transfer, and a broader tuning range for excitation and emission. However, the energy transfer efficiency of these systems rarely exceeds 90%, suggesting room for further improvement. Seeking low-cost solutions to this global problem, we show that a worldwide commercial orange highlighter ink produces both direct and multistep EET with near-unity efficiency (94.4%) among the highest recorded in the literature. We reveal that this efficiency results from a stable monodisperse dispersion of dye-loaded polymer nanoparticles in a water–glycerol medium. We identified the main dyes involved, elucidated the two-step energy transfer sequence, and demonstrated that orange highlighter particle dispersions can serve as an efficient water–ethanol sensor through monitoring variations in EET efficiency. This work presents a low-cost and readily available material exhibiting exceptionally high multistep EET efficiency, offering broad application potential.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"352 ","pages":"Article 127477"},"PeriodicalIF":4.6,"publicationDate":"2026-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146121412","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 dual-mode sensing platform based on bifunctional iron-doped carbon dots for sarcosine detection","authors":"Lei Wang ,&nbsp;Weiping Liu ,&nbsp;Sikai Wang ,&nbsp;Dan Qiu ,&nbsp;Guoqi Zhang ,&nbsp;Yan Zhao","doi":"10.1016/j.saa.2026.127542","DOIUrl":"10.1016/j.saa.2026.127542","url":null,"abstract":"<div><div>Sarcosine (SA) serves as a crucial biomarker for the diagnosis of prostate cancer, and its concentration in the body fluids of patients is strongly correlated with disease progression. Therefore, it is highly significant to develop a sensitive method for SA detection. In this study, iron-doped carbon dots (Fe-CDs) exhibiting peroxidase-like activity and bright yellow-green fluorescence were synthesized. A dual-mode sensing platform for the detection of SA was subsequently constructed based on the as-prepared Fe-CDs. Under the catalysis of sarcosine oxidase, SA underwent an oxidative reaction with molecular oxygen to produce formaldehyde and hydrogen peroxide (H₂O₂). The H₂O₂ was then decomposed by Fe-CDs with peroxidase-like activity, generating reactive oxygen species (ROS), which subsequently oxidized the colorless substrate N, N-diethyl-<em>p</em>-phenylenediamine sulfate (DPD) into pink-colored oxidized DPD (oxDPD). The resulting oxDPD displayed characteristic absorption peaks at 512 nm and 551 nm and concurrently quenched the fluorescence of Fe-CDs at 525 nm via fluorescence resonance energy transfer. Consequently, sensitive and quantitative detection of SA can be achieved by monitoring the reduction in fluorescence intensity and the corresponding increase in absorbance. This method demonstrates a detection limit of 0.023 μM and a linear range of 0.05–120 μM in the fluorescence mode, and a detection limit of 0.17 μM with a linear range of 1–50 μM in the colorimetric mode. Furthermore, this sensing platform was successfully applied to the quantitative detection of SA in human urine samples, with spiked recovery rates of 96.0%–109.2% for fluorescence and 91.0%–107.4% for colorimetry, highlighting its considerable potential for applications in disease diagnosis.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"352 ","pages":"Article 127542"},"PeriodicalIF":4.6,"publicationDate":"2026-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146133937","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}