化学最新文献

{"title":"Chitosan-platinum nanozyme-mediated ratiometric fluorescent immunosensor with dual catalytic cascades for sensitive detection of fenitrothion.","authors":"Jie Liu, Hao Deng, Qing-Chun Yin, Min-Fu Wu, Lin Luo, Hong Wang, Zhen-Lin Xu, Bao-Zhu Jia","doi":"10.1016/j.talanta.2025.128162","DOIUrl":"https://doi.org/10.1016/j.talanta.2025.128162","url":null,"abstract":"<p><p>Organophosphorus pesticide residues pose significant threats to food safety and environmental health, and their monitoring methods demand sensitivity and anti-interference capability. In this study, we developed a novel ratiometric fluorescent immunosensor for fenitrothion (FN) detection by employing chitosan-modified platinum nanoparticles (Ch-Pt NPs) as catalytic nanozymes. Ch-Pt NPs exhibit oxidase-mimicking activity, enabling the oxidation of ascorbic acid (AA) and o-phenylenediamine (OPD) to produce dehydroascorbic acid (DHAA) and 2,3-diaminophenazine (DAP, Em = 568 nm), respectively. Then, DHAA further reacted with the remaining OPD to generate quinoxaline derivatives (DFQ, Em = 430 nm). These two products further form ratiometric fluorescent signals. Taking AA as a breakthrough point, the dual-catalytic cascade of natural enzymes and nanozymes was achieved by the combination with the alkaline phosphatase (ALP) -based enzyme-linked immunosorbent assay (ALP-ELISA). Compared with the conventional colorimetric ELISA, the proposed sensor demonstrated a nearly 20-fold enhancement in sensitivity (detection limit: 0.48 ng/mL) and achieved satisfactory recoveries of 80.0-108.3 % in spiked samples. The ratiometric fluorescent immunosensor demonstrates outstanding performance and holds great potential for extensive applications in the field of pesticide monitoring.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"293 ","pages":"128162"},"PeriodicalIF":5.6,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143954662","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"An AIE fluorescence probe for ratiometric and selective detection of Sn²⁺ based on proton transfer.","authors":"Duo-Duo Hu, Guangnan Wei, Ping Yang, Dexin Fu, Kuiliang Li","doi":"10.1016/j.talanta.2025.128078","DOIUrl":"https://doi.org/10.1016/j.talanta.2025.128078","url":null,"abstract":"<p><p>Detecting Sn²⁺ heavy metal ions is crucial for mitigating water pollution and safeguarding human health. This study involved the design and synthesis of a novel fluorescence probe, RTPE-IM, which is a combination of an aggregation-induced emission luminophore (TPE) and rhodamine B. The probe undergoes proton transfer in the presence of Sn²⁺ ion, displaying high selectivity and a low detection limit of 0.121 μM. The synthesis and application of this molecule offer a potential strategy for preventing environmental health risks.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"293 ","pages":"128078"},"PeriodicalIF":5.6,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143956655","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dual-mode sensor innovation based on light-harvesting and nanozyme integrated Cu-MOF loaded Cu₂O label.","authors":"Man Xu, Zheng Wang, Yingzhuo Shen, Meijuan Zhao, Xiaoya Hu, Hongbo Li, Wei Liu, Qin Xu","doi":"10.1016/j.talanta.2025.128012","DOIUrl":"10.1016/j.talanta.2025.128012","url":null,"abstract":"<p><p>Integrating photoelectrochemical (PEC) and colorimetric dual-mode shed light on \"all-in-one\" sensing platform for high sensitivity, in situ visualization and self-validating measurement. Its attainment depends on the capabilities of light harvesting and colorimetric signal generation from bi-functional tags, which remains challenging. Herein, Cu-MOF loaded Cu₂O (Cu₂O@Cu-MOF) was deliberately prepared and employed as the PEC- colorimetric signal reporter with tail-made stable photo-current and peroxidase mimic activity. A thin layer of Zr-MOF was deliberately encapsulated onto Cu₂O@Cu-MOF for the immobilization of aptamer (Apt) which can be captured by the magnetic AuNPs/Fe₃O₄ nanoparticles through duplex-specific hybrid. In the presence of target analyte, PEC- colorimetric signal reporter was quantitatively released from the magnetic AuNPs/Fe₃O₄ after one-step convenient magnetic separation, facilitating photocurrent response by the photo-induced excitation and colorimetric response by catalyzing the oxidation of 3,3',5,5'-tetramethylbenzidine (TMB). In a proof-of-concept experiment, a customized PEC- colorimetric dual-mode sensor platform based on Cu₂O@Cu-MOF reporter has achieved an ultrasensitive response for bisphenol A (BPA), exhibiting sub-picomole (PEC signal) and sub-nanomole (colorimetric signal) detection limits, respectively. Our dual-mode sensor platform strategy aims to extend to high-sensitivity and visual analysis in fields of in vitro diagnosis, environmental monitoring, and food safety.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"292 ","pages":"128012"},"PeriodicalIF":5.6,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143741911","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Quantitative analysis of plastic blends based on virtual mid-infrared spectroscopy combined with chemometric methods.","authors":"Jian Yang, Yu-Peng Xu, Xiao-Li Chu","doi":"10.1016/j.talanta.2025.128006","DOIUrl":"10.1016/j.talanta.2025.128006","url":null,"abstract":"<p><p>Developing efficient and accurate quantitative analysis methods for plastic blends holds significant value for resource recycling and environmental monitoring. Mid-infrared (MIR) spectroscopy, combined with chemometric techniques, has demonstrated excellent performance in plastic blend quantification. However, obtaining mid-infrared spectral data for a large number of plastic blends to calibrate the model remains challenging. This study proposes an innovative approach that utilizes pure plastic MIR spectra and the Beer-Lambert law to generate virtual plastic blend spectra. Four experimental groups (A-D) were designed, incorporating both real and virtual spectra to systematically evaluate the method's effectiveness. Experiment group A established a baseline model using real spectra, while experiment groups B, C, and D respectively validated the applicability and generalization capability of models based on virtual spectra, as well as their potential applications in MIR hyperspectral imaging (MIR-HSI), respectively. The study further explores feature band selection, model construction, evaluation, and interpretation. The results demonstrate that this method can efficiently predict the mass percentages of components in ternary plastic blends. In experimental group C, partial least squares regression (PLSR), one-dimensional convolutional neural network (CNN1D), and two-dimensional convolutional neural network based on Gramian Angular Field (GAF-CNN2D) models-trained on 208 virtual plastic blend spectra-were employed to predict the mass percentages of 66 ternary plastic blends composed of polyethylene (PE), polypropylene (PP), and polystyrene (PS). The prediction coefficients of determination (R_T²) reached 0.9872, 0.9879, and 0.9944, respectively, indicating exceptional predictive accuracy. Experimental group D further demonstrated that, even under Gaussian noise interference and limited spectral range, the strategy of fusing mid-wave infrared and long-wave infrared bands allowed the PLSR and GAF-CNN2D models to maintain high performance in predicting the mass percentages of 66 ternary blends of PE, PP, and PS, with R_T² values of 0.9852 and 0.9895, respectively. This suggests that the proposed method holds potential for applications in MIR-HSI and is promising for real-time online analysis. Finally, this study proposes a more widely applicable and optimized quantitative analysis application scheme based on virtual plastic blend spectra, aiming to enable rapid and precise determination of unknown plastic blends.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"292 ","pages":"128006"},"PeriodicalIF":5.6,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143741921","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Imidazole-triggered in situ fluorescence reaction system for quantitatively determination of dopamine from multiple sources.","authors":"Yifei Ma, Lijie Zhang, Hong Yang, Shanshan Zhu, Jinhua Liu","doi":"10.1016/j.talanta.2025.127975","DOIUrl":"10.1016/j.talanta.2025.127975","url":null,"abstract":"<p><p>Highly selective and sensitive determination of dopamine (DA) from multiple sources remains a persistent and significant challenge. Here, we develop an imidazole-triggered in situ fluorescence reaction system for highly selective and sensitive determination of DA from various sources (human, horse, dog, rabbit, and mouse). The system operates by catalyzing the oxidation of DA with 1,5-Dihydroxynaphthalene (1,5-DHA) through a Lewis base formed by imidazole, leading to the rapid generation of yellow azamonardine fluorescent compounds (AFC). Notably, the system demonstrates minimal background noise and a high signal-to-noise ratio of up to 300-fold with a determination limit of 33.33 pM, making it 10-100 times more sensitive than conventional enzyme-linked immunosorbent assay (ELISA) methods. Moreover, selectivity tests reveal that our system can effectively distinguish between several common interfering substances, even at concentrations as low as 10 nM. The developed system shows promising results in detecting DA from diverse sources (humans, horses, dogs, rabbits, and mice), including urine samples from clinical patients, exhibiting good agreement with traditional ELISA kits. Therefore, the established in situ fluorescence reaction system holds great potential for the determination of DA-related disorders due to its impressive analytical capabilities.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"292 ","pages":"127975"},"PeriodicalIF":5.6,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143741914","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Monitoring variations in mitochondrial hydrogen sulfide using two-photon cyclometalated iridium(III) complex probe: A new strategy for ischemia-reperfusion drug discovery and efficacy evaluation.","authors":"Peng Du, Tianao Zhang, Ying Wu, Zongping Yu, Chaolong Liu","doi":"10.1016/j.talanta.2025.128021","DOIUrl":"10.1016/j.talanta.2025.128021","url":null,"abstract":"<p><p>Hepatic ischemia-reperfusion injury (HIRI) is one of the main causes of liver insufficiency and failure after liver surgery. However, the effectiveness of current methods of treating HIRI is generally limited. Previous studies have shown that hydrogen sulfide (H₂S) has a beneficial effect on HIRI, and an appropriate concentration of H₂S can significantly reduce HIRI by protecting the mitochondria. Therefore, establishing an accurate imaging platform for monitoring variations in mitochondrial H₂S is an effective strategy for anti-HIRI drug discovery and efficacy evaluation. To this end, a cyclometalated iridium(III) complex-based probe, Cym-Ir-EDB, was developed for detecting mitochondrial H₂S in HIRI. Cym-Ir-EDB possesses good sensitivity, high selectivity, negligible cytotoxicity, and excellent mitochondrial-targeting ability, rendering it a promising imaging tool for analyzing variations in mitochondrial H₂S in HIRI cells. Using Cym-Ir-EDB as a probe, anti-HIRI drugs were screened from isothiocyanates by monitoring variations in mitochondrial H₂S in HIRI cells, for the first time. Moreover, the dynamics of mitochondrial H₂S in HIRI cells were visualized and the response of HIRI to treatment with the screened erucin was monitored. The findings indicate that Cym-Ir-EDB can serve as a useful imaging platform for the precise imaging of mitochondrial H₂S in HIRI, thereby contributing to anti-HIRI drug discovery and efficacy evaluation.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"292 ","pages":"128021"},"PeriodicalIF":5.6,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143741917","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"MedKG: enabling drug discovery through a unified biomedical knowledge graph.","authors":"Madhavi Kumari, Rohit Chauhan, Prabha Garg","doi":"10.1007/s11030-025-11164-z","DOIUrl":"10.1007/s11030-025-11164-z","url":null,"abstract":"<p><p>Biomedical knowledge graphs have emerged as powerful tools for drug discovery, but existing platforms often suffer from outdated information, limited accessibility, and insufficient integration of complex data. This study presents MedKG, a comprehensive and continuously updated knowledge graph designed to address these challenges in precision medicine and drug discovery. MedKG integrates data from 35 authoritative sources, encompassing 34 node types and 79 relationships. A Continuous Integration/Continuous Update pipeline ensures MedKG remains current, addressing a critical limitation of static knowledge bases. The integration of molecular embeddings enhances semantic analysis capabilities, bridging the gap between chemical structures and biological entities. To demonstrate MedKG's utility, a novel hybrid Relational Graph Convolutional Network for disease-drug link prediction, MedLINK was developed and used in case studies on clinical trial data for disease drug link prediction. Furthermore, a web-based application with user-friendly APIs and visualization tools was built, making MedKG accessible to both technical and non-technical users, which is freely available at http://pitools.niper.ac.in/medkg/.</p>","PeriodicalId":708,"journal":{"name":"Molecular Diversity","volume":" ","pages":"3465-3483"},"PeriodicalIF":3.9,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143630160","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":"Integrating deep learning and molecular dynamics simulations for FXR antagonist discovery.","authors":"Yueying Yang, Yuxin Huang, Hanxiao Shen, Ding Wang, Zhen Liu, Wei Zhu, Qing Liu","doi":"10.1007/s11030-025-11145-2","DOIUrl":"10.1007/s11030-025-11145-2","url":null,"abstract":"<p><p>Farnesoid X receptor (FXR) is a key regulator of bile acid, lipid, and glucose homeostasis, making it a promising target for treating metabolic diseases. FXR antagonists have shown therapeutic potential in cholestasis, metabolic disorders, and certain cancers, while clinically approved FXR antagonists remain unavailable and underrepresented in current treatment strategies. To address this, we developed deep learning models for predicting FXR antagonistic activity (ANTCL) and toxicity (TOXCL). Screening 217,345 compounds from the HMDB database identified eleven human metabolite candidates with significant FXR binding potential. Molecular dynamics simulations and binding free energy calculations revealed five more stable complexes compared to the reference compound Gly-MCA, with HMDB0253354 (Fulvestrant) and HMDB0242367 (ZM 189154) standing out for their binding free energies. Hydrophobic interactions, particularly involving residues MET328, PHE329, and ALA291, contributed to their stability. These results demonstrate the effectiveness of deep learning in FXR antagonist discovery and highlight the potential of HMDB0253354 and HMDB0242367 as promising candidates for metabolic disease treatment.</p>","PeriodicalId":708,"journal":{"name":"Molecular Diversity","volume":" ","pages":"3391-3409"},"PeriodicalIF":3.9,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143762606","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":"Cochlear Implantation: The Variation in Cochlear Height.","authors":"Afrah Alshalan, Yassin Abdelsamad, Majed Assiri, Abdulrahman Alsanosi","doi":"10.1177/01455613221134860","DOIUrl":"10.1177/01455613221134860","url":null,"abstract":"<p><p>This study aimed to identify the association between different cochlear metrics, including the basal turn diameter (A-value), the basal turn width (B-value), and the height of the cochlea (H-value). We also reported an association between H-value and hearing outcomes with cochlear implants (CI). This is a retrospective study that included all patients who underwent CI procedures between 2012 and 2018 at a tertiary center and have; preoperative high-resolution computed tomography (CT)<b>,</b> normal cochlea, postoperative follow-up duration of at least 2 years, scores of the category auditory performance II (CAP-II), and speech intelligibility rating (SIR) scales. A total of 65 ears implanted with CI in 46 patients (24 boys and 20 girls; mean age of 7 (±10) years) fulfilled the inclusion criteria. We found significant positive correlations between A vs B, A vs H, and B vs H (<i>P</i>-value = 0.008, 0.018, and 0.0039, respectively). We also found a significant positive relationship between A, B, and H values and cochlear duct length (CDL) (<i>P</i>-value < 0.0001, 0.008, and 0.018, respectively). Finally, the H-value was significantly correlated with the SIR (<i>P</i>-value = 0.027). However, its correlation with the CAP score was not statistically significant (<i>P</i>-value = 0.62). Cochlear height significantly correlated with CDL and the other cochlear parameters. The variation in cochlear height can also affect speech outcomes in patients undergoing CI. Therefore, the H-value together with the other cochlear metrics should be adequately assessed preoperatively in CI patients.</p>","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":" ","pages":"501-507"},"PeriodicalIF":16.4,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"33517637","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Clinical Application of Submental Island Flaps in Repair and Reconstruction of Head and Neck Tumors: Retrospective Review of a Single-Center Experience.","authors":"Pingdong Li, Haiyang Li, Shuo Ding, Jing Zhou, Xiaohong Chen, Jugao Fang, Zhigang Huang","doi":"10.1177/01455613221136671","DOIUrl":"10.1177/01455613221136671","url":null,"abstract":"<p><p>BackgroundBased on our cadaveric study findings and the clinical practice, the improved submental island flaps (SIF) used on a case series to reconstruct postoperative defects were reviewed and analyzed, to summarize the technical operation of flap cutting and propose the anterograde anatomical technique of point-line-plane alignment.MethodsThe cadaveric study was carried out first and a case series of about 23 head and neck tumor cases that underwent one-stage SIF repair were reviewed and followed up. The intraoperative anatomy, the technical essentials for vascular pedicle protection and submandibular lymph nodes treatment, and the rational design of flap incisions were analyzed and described.ResultsMost patients (21/23, 91.3%), comprising 19 males and 4 females with a mean age of 59 years, recovered completely from the application of SIFs in the repair and reconstruction of head and neck tumors; Only 2 patients experienced partial flap necrosis, which resolved following a local dressing change. The predominant donor site complication was transitory paralysis of the mandibular marginal branch of the facial nerve (MMBFN) (3/23, 13.0%), and the donor site was closed in one stage without skin grafting. The hair growth on skin flaps was not an issue for male patients requiring postoperative radiotherapy.ConclusionsSIF is a viable choice for correcting abnormalities of the head and neck tumor with the convenience of flap cutting and the effectiveness of the repair. In addition, it permits simultaneous treatment of the lymph nodes in the region I.</p>","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":" ","pages":"NP529-NP539"},"PeriodicalIF":16.4,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"40657114","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}