The Royal Society of Chemistry最新文献

{"title":"Molecular engineering of NIR AIE probes for cell membrane-targeted cancer phototheranostics.","authors":"Chengwei Tang, Wenman Li, Huixuan Tang, Yuanyuan You, Yuxun Ding, Dingyuan Yan, Dong Wang, Xiaohui Chen","doi":"10.1039/d5cc04637h","DOIUrl":"https://doi.org/10.1039/d5cc04637h","url":null,"abstract":"<p><p>A finely engineered NIR AIE probe, namely TTTVPHE, was synthesized with dithieno[2,3-<i>b</i>:2',3'-<i>d</i>]thiophene to bridge triphenylamine and pyridinium units for cell membrane-targeted cancer phototheranostics. TTTVPHE has significant advantages such as strong cell membrane binding affinity, NIR-I/II emission, superior AIE characteristics, and excellent type I/II ROS generation ability.</p>","PeriodicalId":67,"journal":{"name":"Chemical Communications","volume":" ","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145336093","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":"An intelligent diagnostic algorithm for Raman spectroscopy of gastrointestinal cancer based on component modeling.","authors":"Mingkun Wang, Juan Li, Wenbo Mo, Daojian Qi, Shuang Ni, Feng Tang, Xinming Wang, Chun Qing, Minjie Zhou","doi":"10.1039/d5ay01178g","DOIUrl":"https://doi.org/10.1039/d5ay01178g","url":null,"abstract":"<p><p>Early diagnosis of gastrointestinal (GI) cancer is crucial for patient prognosis, yet conventional methods suffer from invasiveness and insufficient molecular sensitivity. While Raman spectroscopy offers non-invasive molecular fingerprinting, spectral overlap in complex biological samples poses a challenge. To address this, this study introduces a diagnostic framework that synergizes Raman spectroscopy with a convolutional neural network (CNN) to quantitatively resolve spectral components for improved GI cancer detection. Based on Raman spectra from 829 GI tissues and five pure components (DNA, triolein, histone, collagen, and actin), an improved CNN regression model was trained on 100 000 simulated spectra. The model accurately quantified the relative proportions of these five biochemicals (<i>R</i>²: 0.91-0.98), revealing significantly higher coefficients for DNA, collagen, and actin, and lower coefficients for triolein and histone in malignant tissues (<i>P</i> < 0.01). Utilizing these quantitative molecular features, a subsequent LightGBM classification model achieved an accuracy of 97.2%, a sensitivity of 90%, a specificity of 98.1%, and an AUC of 0.973 on an independent test set. This work therefore demonstrates a powerful approach for discriminating benign and malignant GI tissues by quantitatively modeling key molecular alterations. The high classification accuracy validates the clinical translational potential of this non-invasive method for GI cancer screening and offers a generalizable strategy for other complex biological analyses and diagnostics.</p>","PeriodicalId":64,"journal":{"name":"Analytical Methods","volume":" ","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145336140","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Size-resolved analyses of trace elements in snow from an open-pit bitumen mining and upgrading region.","authors":"Fiorella Barraza, Andy Luu, Tommy Noernberg, Judy Schultz, William Shotyk, Yu Wang, Quincy Ybañez","doi":"10.1039/d5em00334b","DOIUrl":"https://doi.org/10.1039/d5em00334b","url":null,"abstract":"<p><p>Dust containing potentially toxic trace elements (TEs) from open pit mining, smelting of metallic ores, aggregate extraction, and road dust is a major concern worldwide. The potential ecological significance of TEs in these dusts, however, depends not only upon their concentrations, but also their physical and chemical forms. Here, dusty snow from the Athabasca River (AR) which bisects an open-pit bitumen mining and upgrading area in Canada was collected to perform size-resolved analysis of selected TEs. Conservative, lithophile (Al, Th, Y), bitumen-enriched (Mo, Ni, V), and chalcophile (As, Cd, Pb, Sb, Tl) elements were overwhelmingly found in the particulate fraction (>0.45 μm), with concentrations increasing toward industry. The mineralogical composition of this fraction was similar to dusts from natural and anthropogenic sources in the area. In the \"filterable\" fraction (<0.45 μm), Al, Mo, and V in snow were elevated near industry. Within the filterable fraction, TEs occur predominantly in the \"truly dissolved\" fraction (<300 Da): these are assumed to be ionic species and small molecules, and represent potentially bioavailable species. However, the concentrations of TEs in this fraction were extremely low: for perspective, Cd and Pb are similar to values reported for ancient Arctic ice. Within the filterable fraction at midstream sites, up to 30% of Ni and 37% of Y were associated with organic colloids (≈1 kDa) which may be from bitumen and soil-borne sources, respectively. Except for V, TE concentrations in the filterable fraction of snow were below the average values for the AR and the global average for uncontaminated river water. Consequently, the threat to aquatic life in the river by TEs in snowmelt may be limited.</p>","PeriodicalId":74,"journal":{"name":"Environmental Science: Processes & Impacts","volume":" ","pages":""},"PeriodicalIF":3.9,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145336113","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A room temperature nematic luminescent liquid crystal: a FRET donor for amplified circularly polarized luminescence.","authors":"Yao Xiao, Xue-Lan Pan, Xiang-Jian Cao, Xin Qi, Sheng-Qi Qiu, Zhen-Qiang Yu","doi":"10.1039/d5cc04827c","DOIUrl":"https://doi.org/10.1039/d5cc04827c","url":null,"abstract":"<p><p>A binary room temperature cholesteric luminescent liquid crystal (N*LLC) composed of an AIE-active NLLC, CS5, and a luminescent chiral inducer, NiR-Chol, was employed as a FRET donor and acceptor, respectively. Through circularly polarized FRET, the N*LLC exhibited amplified intrinsic CPL and circumvented the photonic bandgap-caused energy loss.</p>","PeriodicalId":67,"journal":{"name":"Chemical Communications","volume":" ","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145336105","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":"Spiers Memorial Lecture: Multicomponent and high-entropy materials: an overview.","authors":"Brian Cantor","doi":"10.1039/d5fd00110b","DOIUrl":"https://doi.org/10.1039/d5fd00110b","url":null,"abstract":"<p><p>Multicomponent phase space is enormous and contains a vast number of complex new materials. Despite intensive investigation in the last decade and a half however, we are only slowly making progress towards understanding these new materials. This paper attempts to summarise some of the fundamental discoveries we have made about the geography of multicomponent phase space and the wide range of complex new materials that we have found within it. This paper discusses briefly the following topics: the size and shape of multicomponent phase space and the range of single- and multiple-phase fields that it contains; the (initially) surprising presence of many large near-ideal single-phase solid-solution phases, stabilised by a high configurational entropy of mixing; the extensive and wide-ranging variation of local nanostructure and associated mechanical and electronic lattice strain that permeates throughout high-entropy solid-solution phases; and some of the unusual, exciting and valuable properties that are then produced within multicomponent and high-entropy materials. Many of the results discussed have been obtained from the fcc Cantor alloys (based on the original Cantor alloy, equiatomic fcc CrMnFeCoNi) and the bcc Senkov alloys (based on the original Senkov alloy, equiatomic VNbMoTaW), two groups of multicomponent high-entropy single-phase materials that have been particularly widely studied. Similar behaviour is also found in other multicomponent high-entropy single-phase materials, though these have not been studied so intensively. In comparison with multicomponent high-entropy single-phase materials, rather little is known about multicomponent multiphase materials that have also not been studied so intensively.</p>","PeriodicalId":76,"journal":{"name":"Faraday Discussions","volume":" ","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145336077","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Versatile benzannulation strategies with vinyl sulfoxonium ylides and electron-deficient alkenes/alkynes.","authors":"Daksh Singh Davas, Janakiram Vaitla","doi":"10.1039/d5cc05314e","DOIUrl":"https://doi.org/10.1039/d5cc05314e","url":null,"abstract":"<p><p>Arenes are prominent structural motifs in pharmaceuticals, natural products, and functional materials, yet their synthesis often demands multistep procedures and harsh conditions. Benzannulation offers a step-economical alternative, enabling the direct construction of polyfunctionalized arenes from acyclic precursors with high regioselectivity and efficiency. Among the diverse benzannulation strategies, vinyl sulfoxonium ylides (VSYs) have emerged as versatile synthons, containing an electron-rich ylide group and an electron-deficient carbonyl group at the two ends of the styrene unit that facilitate a broad range of transformations. This review highlights recent advancements in reagent- and condition-controlled benzannulation reactions of VSYs with alkenes and alkynes, enabling divergent access to structurally distinct arene scaffolds.</p>","PeriodicalId":67,"journal":{"name":"Chemical Communications","volume":" ","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145336098","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":"An ultrasensitive sandwich-type electrochemical immunosensor for PSA detection: employing layer-by-layer self-assembly with poly(thionine)/carbon nanotube multilayers as electron mediators and hemin-functionalized PEI/SiO₂ nanoparticles as signal amplifiers.","authors":"Zheng Chang, Zhenyuan Duan, Junpeng Li, Xiangze Meng","doi":"10.1039/d5ay01330e","DOIUrl":"https://doi.org/10.1039/d5ay01330e","url":null,"abstract":"<p><p>In this study, hemin-functionalized polyethyleneimine/silica nanoparticles (hemin/PEI/SiO₂ NPs) served as an electrochemical label for ultrasensitive detection of prostate-specific antigen (PSA), a clinically important prostate cancer biomarker. A poly(thionine)/carbon nanotube (PTh/CNTs) multilayer film was fabricated on a glassy carbon electrode (GCE) <i>via</i> integrated electropolymerization and electrostatic layer-by-layer (LbL) assembly, forming a {PTh/CNTs}₂/PTh modified GCE with abundant amino groups. PSA capture antibodies (Ab₁) were then covalently immobilized on the modified electrode through glutaraldehyde (GA) crosslinking, leveraging the film's surface-exposed amino groups. Furthermore, hemin/PEI/SiO₂ NPs were synthesized through amine-carboxyl interactions between carboxyl groups of hemin and amine groups of PEI/SiO₂ NPs. The immunosensor assembly employed a sandwich-type electrochemical platform using PSA detection antibody (Ab₂)-conjugated hemin/PEI/SiO₂ NPs. The specific antibody-antigen binding enables efficient electron transfer across the nanoscale spacing (several nanometers) between hemin/PEI/SiO₂ NPs and the {PTh/CNTs}₂/PTh multilayer film. In this architecture, CNTs serve as excellent electron mediators, significantly facilitating electron transport. Moreover, the high-density immobilization of hemin on PEI/SiO₂ NPs significantly amplifies the electrochemical redox currents of the multilayer film through proximity effects. This enhanced electrical signal enables highly sensitive detection of target protein antigen-antibody binding events. Consequently, by correlating the enhanced reduction peak current of the immunosensor with PSA concentration, highly sensitive detection of PSA at various concentrations can be achieved. Under optimized conditions, it exhibited a linear response to logarithmic PSA concentrations (0.01 pg mL^-1 to 100 pg mL^-1, <i>R</i> = 0.9963), with an ultralow detection limit of 3.0 fg mL^-1 (S/N = 3). Furthermore, the immunosensor demonstrated outstanding analytical performance in human serum samples (96.0-103% recovery, <i>n</i> = 3), confirming its high accuracy for clinical applications.</p>","PeriodicalId":64,"journal":{"name":"Analytical Methods","volume":" ","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145336059","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Cardiac glycosides: structural diversity, chemical ecology, bioactivity, and artificial synthesis.","authors":"Dian Jiao, Yibo Zhang, Wending Guo, Shuang Liu, Ping Su, Luqi Huang","doi":"10.1039/d5np00050e","DOIUrl":"https://doi.org/10.1039/d5np00050e","url":null,"abstract":"<p><p>Covering: up to 2025Cardiac glycosides (CGs), a class of metabolites found in nature, comprise sugar residues, unsaturated lactone rings, and steroidal cores. As renowned phytotoxins, they play vital roles in maintaining ecological balance. CGs have been widely used in the treatment of cardiovascular diseases such as heart failure and tachyarrhythmia for more than 200 years. Recent studies have revealed that CGs have numerous applications in various disease therapeutic areas, including anticancer, immunomodulatory, anti-inflammatory, antiviral, and neuroprotective effects. However, the medicinal resources of CGs are mainly reliant on natural plant and animal extracts, which not only limits their sustainable supply but also increases development costs. With the growing understanding of the pharmacological value of CGs and their increasing demand in the pharmaceutical industry, the sustainable supply of medicinal resources will become a bottleneck limiting their further development. Therefore, the artificial synthesis of target active ingredients, including chemical (semi)synthesis and biosynthesis, is becoming a hot topic among scholars worldwide. This paper presents the first systematic review of recent research advances in the structure, distribution, chemical ecology, biological activities, and artificial synthesis of CGs. Finally, we discuss the current challenges and urgent issues in this field, aiming to promote the widespread application of CGs in medicine through comprehensive pharmacological studies and exploration of synthesis techniques.</p>","PeriodicalId":94,"journal":{"name":"Natural Product Reports","volume":" ","pages":""},"PeriodicalIF":10.6,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145336073","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":"Dynamics of protonated oxalate from machine-learned simulations and experiment: infrared signatures, proton transfer dynamics and tunneling splittings.","authors":"Valerii Andreichev, Silvan Käser, Erica L Bocanegra, Madeeha Salik, Mark A Johnson, Markus Meuwly","doi":"10.1039/d5cp03085d","DOIUrl":"https://doi.org/10.1039/d5cp03085d","url":null,"abstract":"<p><p>The infrared spectroscopy and proton transfer dynamics together with the associated tunneling splittings for H/D-transfer in oxalate are investigated using a machine learning-based potential energy surface (PES) of CCSD(T) quality, calibrated against the results of new spectroscopic measurements. Second order vibrational perturbation calculations (VPT2) very successfully describe both the framework and H-transfer modes compared with the experiments. In particular, a newly observed low-intensity signature at 1666 cm^-1 was correctly predicted from the VPT2 calculations. An unstructured band centered at 2940 cm^-1 superimposed on a broad background extending from 2600 to 3200 cm^-1 is assigned to the H-transfer motion. The broad background involves a multitude of combination bands but a major role is played by the COH-bend. For the deuterated species, VPT2 and molecular dynamics simulations provide equally convincing assignments, in particular for the framework modes. Finally, based on the new PES the tunneling splitting for H-transfer is predicted as <i>Δ</i>_H = 35.0 cm^-1 from ring polymer instanton calculations using higher-order corrections. This provides an experimentally accessible benchmark to validate the computations, in particular the quality of the machine-learned PES.</p>","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145336217","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A molybdenum-catalyzed acceptorless dehydrogenative approach for quinoline synthesis using amino alcohol.","authors":"Vaishnavi Atreya, Anirban Sil, Debangsu Sil, Subrata Chakraborty","doi":"10.1039/d5ob01409c","DOIUrl":"https://doi.org/10.1039/d5ob01409c","url":null,"abstract":"<p><p>We report the bidentate-phosphine-ligand-based molybdenum π-allyl complex [Mo(CO)₂(η³-C₃H₅)(DPPE)Cl] (Mo-1; DPPE = 1,2-bis(diphenylphosphino)ethane) for the dehydrogenative annulation of 2-aminobenzyl alcohol with a wide variety of methylketones to form N-heterocycle quinoline derivatives. The complex Mo-1 also catalyzed the formation of substituted quinolines through the reaction of 2-aminobenzyl alcohol with 1-phenylethanol derivatives. This methodology demands low loading of the complex (1 mol%) and a catalytic base. The process produces water and hydrogen gas as the only byproducts. Thus, the reactions are atom-efficient and environmentally benign.</p>","PeriodicalId":96,"journal":{"name":"Organic & Biomolecular Chemistry","volume":" ","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145336116","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}