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ANALYTICAL AND BIOANALYTICAL CHEMISTRY · 2026 · IF 4.1

Machine learning-assisted wearable SERS-microfluidic system for rapid detection of sweat biomarkers and stimulants

Zhang Yanjiao,Guo Yanxian,Wang Wen,Fang Xianglin,Cong Yanguang,Li Shaoxin

Sweat is an ideal biofluid for noninvasive monitoring of athletes’ physiological status during exercise, as its rich chemical composition directly reflects health and metabolic state. Herein, we develop a wearable device based on segmented circular microfluidic paper–based surface-enhanced Raman scattering (SCMP-SERS) for real-time sweat analysis during physical activity. The core sensor incorporates gold@carbon dots–based plasmonic paper, which exhibits exceptional SERS performance with a maximum enhancement factor of up to 3.6 × 10 9 . Combined with a flow-regulating microfluidic network, the system allows controlled sweat collection and quantitative analysis. It can identify key sweat biomarkers, such as urea, uric acid, and lactic acid, and distinguish differences between individuals. Furthermore, the device’s multi-channel design facilitates continuous sweat sampling and longitudinal SERS quantitation throughout extended exercise sessions. Furthermore, by integrating machine learning, the SCMP-SERS device successfully identifies stimulants in artificial sweat with over 97.9% accuracy. This innovative approach demonstrates significant potential for real-time antidoping surveillance and personalized sports physiology monitoring. Graphical abstract

✓ 已验证 产品关联 DOI PubMed 高影响因子
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TALANTA · 2023 · IF 6.1

Chromatographic separation performance of silica microspheres surface-modified with triazine-containing imine-linked covalent organic frameworks

Haoyu Long,Yanhao Jiang,Yanjuan Liu,Yuefei Zhang,Wei Chen,Sheng Tang

In this work, 2,4,6-tris(4-aminophenyl)-1,3,5-triazine (TAPT) and 1,3,5-tris(4-formylphenyl)benzene (TFPB) were used as monomers to construct a triazine-containing imine-linked covalent organic framework (COF), which was then bonded onto the surface of aldehydized silica (SiO 2 –CHO), and finally a COF@silica composite material (TAPT-TFPB COF@SiO 2 ) was successfully prepared. The chromatographic separation performance of SiO 2 –CHO, TAPT-TFPB COF@SiO 2 and TAPT-TFPB COF@SiO 2 /SiO 2 –CHO (80/20, mass ratio) was evaluated and compared. It was found that separation efficiency was obviously enhanced by adding an appropriate amount of SiO 2 –CHO into TAPT-TFPB COF@SiO 2 . The obtained TAPT-TFPB COF@SiO 2 /SiO 2 –CHO showed more favorable separation ability than SiO 2 –CHO and TAPT-TFPB COF@SiO 2 . Various aromatic compounds including alkylbenzenes , polycyclic aromatic hydrocarbons , environmental endocrine disruptors , foodborne stimulants and phenyl ketones were effectively separated on the TAPT-TFPB COF@SiO 2 /SiO 2 –CHO column in reversed phase chromatography mode. The silica microspheres surface-modified with triazine-containing imine-linked COFs proved to be a new type of promising chromatographic packing materials.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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BIOCONJUGATE CHEMISTRY · 2025 · IF 3.9

[177Lu]Lu-XYIMSR-01: A Novel CAIX-Targeted Radiotherapeutic for Enhanced Treatment of Malignant Glioma

Jing Wang,Chengxue He,Rui Guo,Li Wen,Jinping Tao,Huimao Zhang,HaiFeng Huang,Hua Zhu,Zhi Yang,Xianteng Yang

Malignant glioma highly expresses carbonic anhydrase IX (CAIX). This study aimed to develop [177Lu]Lu-XYIMSR-01, a small-molecule therapeutic agent CAIX, to assess its potential for treating malignant glioma. [177Lu]Lu-XYIMSR-01 was synthesized by radiolabeling DOTA-XYIMSR-01 with 177Lu. In vitro assays were conducted to evaluate the affinity for U87MG tumor cells. The probe was injected via the tail vein into subcutaneous and orthotopic U87MG models for micro-SPECT/CT imaging. The survival rates of tumor-bearing mice were assessed after [177Lu]Lu-XYIMSR-01 injection by intratumoral in orthotopic models, including untreated controls and those treated with Temozolomide or combination therapy. After purification, the radiochemical yield of [177Lu]Lu-XYIMSR-01 was 86.47 ± 2.42%, with a radiochemical purity (RCP) of 99%. Its cell uptake in U87MG cells was 3.70 ± 0.57 ‰ AD/105 cells, significantly higher than that in HCT116 cells (0.68 ± 0.16 ‰ AD/105 cells, P = 0.001). In the biodistribution study, [177Lu]Lu-XYIMSR-01 uptake in U87MG tumors was 6.19 ± 1.37%ID/g, with a tumor/muscle ratio of 20.14 ± 3.24. In the orthotopic glioma model, local injection combined with Temozolomide significantly improved survival and inhibited tumor growth. The results indicate that [177Lu]Lu-XYIMSR-01 is a promising therapeutic molecular probe for targeting CAIX, and its combination with Temozolomide significantly enhances treatment outcomes for malignant glioma.

CAS / MDL: 59-66-5
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TALANTA · 2024 · IF 5.6

Carrier-free immobilized enzyme for ligand fishing of carbonic anhydrase inhibitors in Salvia miltiorrhiza

Xiaozhuan Jia,Xiaohui Fan,Zhenzhong Yang

The traditional method for natural products discovering could be time-consuming and labor-intensive, thus ligand fishing has attracted a lot of attention as a fast-screening method. Nevertheless, ligand fishing often relied on immobilized enzyme with solid carriers, which can be expensive and complicated to prepare. In this study, a carrier-free enzyme immobilization technology, cross-linked enzyme aggregates (CLEAs), was introduced by preparing carbonic anhydrase cross-linked enzyme aggregates (CA-CLEAs), aiming to develop a method for ligand fishing that is simpler, faster and more cost-effective. CA-CLEAs were synthesized with optimal conditions, and were proven to have the ability to capture CA inhibitors and recycle. The crude extract of Salvia miltiorrhiza (SM) was determined to have inhibitory activity against CA, and two major components of SM, i.e., phenolic acids and diterpenoids, were prepared and incubated with CA-CLEAs, respectively. Seven potential inhibitors were fished out and identified using liquid chromatography-mass spectrometry (LC-MS), and all of them were verified to have inhibitory activity, with two novel inhibitors, salvianolic acid C and tanshinone IIA, being discovered. Molecular docking simulations revealed the different inhibitory mechanisms of phenolic acids and diterpenoids. Furthermore, combination effect analysis was carried out, and the synergistic effects were discovered between two components, as well as between their representative compounds, i.e., salvianolic acid B and tanshinone IIA. In this study, a ligand fishing method based on carrier-free immobilized enzyme was established and applied to discover CA inhibitors. A variety of inhibitors with different inhibitory mechanisms were identified successfully, which could accelerate the development of CA inhibitors, demonstrating the efficiency and potential of the method in new bioactive compounds discovery.

CAS / MDL: 1132-61-2 59-66-5
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RESPIRATORY RESEARCH · 2025 · IF 5

CPHNet: a novel pipeline for anti-HAPE drug screening via deep learning-based Cell Painting scoring

De-zhi Sun,Xi-ru Yang,Cong-shu Huang,Zhi-jie Bai,Pan Shen,Zhe-xin Ni,Chao-ji Huang-fu,Yang-yi Hu,Ning-ning Wang,Xiang-lin Tang,Yong-fang Li,Yue Gao,Wei Zhou

Background High altitude pulmonary edema (HAPE) poses a significant medical challenge to individuals ascending rapidly to high altitudes. Hypoxia-induced cellular morphological changes in the alveolar-capillary barrier such as mitochondrial structural alterations and cytoskeletal reorganization, play a crucial role in the pathogenesis of HAPE. These morphological changes are critical in understanding the cellular response to hypoxia and represent potential therapeutic targets. However, there is still a lack of effective and valid drug discovery strategies for anti-HAPE treatments based on these cellular morphological features. This study aims to develop a pipeline that focuses on morphological alterations in Cell Painting images to identify potential therapeutic agents for HAPE interventions. Methods We generated over 100,000 full-field Cell Painting images of human alveolar adenocarcinoma basal epithelial cells (A549s) and human pulmonary microvascular endothelial cells (HPMECs) under different hypoxic conditions (1%~5% of oxygen content). These images were then submitted to our newly developed segmentation network (SegNet), which exhibited superior performance than traditional methods, to proceed to subcellular structure detection and segmentation. Subsequently, we created a hypoxia scoring network (HypoNet) using over 200,000 images of subcellular structures from A549s and HPMECs, demonstrating outstanding capacity in identifying cellular hypoxia status. Results We proposed a deep neural network-based drug screening pipeline (CPHNet), which facilitated the identification of two promising natural products, ferulic acid (FA) and resveratrol (RES). Both compounds demonstrated satisfactory anti-HAPE effects in a 3D-alveolus chip model (ex vivo) and a mouse model (in vivo). Conclusion This work provides a brand-new and effective pipeline for screening anti-HAPE agents by integrating artificial intelligence (AI) tools and Cell Painting, offering a novel perspective for AI-driven phenotypic drug discovery. Supplementary Information The online version contains supplementary material available at 10.1186/s12931-025-03173-1.

CAS / MDL: 59-66-5
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