Hong-Ye Li, Zi-An Wang, Mei-Mei Yang, Bo Ge, Li-Ping Wang, Guang Li
{"title":"Polymer Decorated Zn-MOF (ZIF-8-NH2) for the Fabrication of Superhydrophobic Material via Metal-free Atom Transfer Radical Polymerization","authors":"Hong-Ye Li, Zi-An Wang, Mei-Mei Yang, Bo Ge, Li-Ping Wang, Guang Li","doi":"10.1007/s10118-025-3390-y","DOIUrl":"10.1007/s10118-025-3390-y","url":null,"abstract":"<div><p>We report a general method for the synthesis of polymer-decorated metal-organic frameworks (MOFs) for the fabrication of superhydrophobic materials through photoinduced metal-free atom transfer radical polymerization (ATRP). Firstly, an MOF material, ZIF-8-NH<sub>2</sub>, was synthesized through the self-assembly of metal ions and organic ligands at room temperature. ZIF-8-NH<sub>2</sub> was then reacted with glycidyl methacrylate (GMA) to form ZIF-8@GMA. Finally, ZIF-8@GMA-PHFBA was prepared by grafting fluorinated monomer 2,2,3,4,4,4-hexafluorobutyl acrylate (HFBA), from the ZIF-8@GMA surface <i>via</i> photoinduced ATRP under 365 nm UV light. The structural evolution during the metal-free ATRP modification of ZIF-8-NH<sub>2</sub> was characterized by Fourier transform infrared spectroscopy (FTIR), X-ray powder diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), and thermogravimetry analysis (TGA). The test results verified that ZIF-8-NH<sub>2</sub> and ZIF-8@GMA-PHFBA were successfully synthesized, and that the surface graft polymerization did not change the structure and morphology of ZIF-8-NH<sub>2</sub>. After anchoring the ZIF-8@GMA-PHFBA hybrid material on the fabric surface, the water contact angle (WCA) of the ZIF-8@GMA-PHFBA hybrid material-modified fabric surface reached 154.2°, which achieved a superhydrophobic state. In addition, the oil-water separation experiment and self-cleaning test demonstrated that the ZIF-8@GMA-PHFBA hybrid material-modified fabric has an excellent oil-water separation effect and self-cleaning performance. This material shows promising potential for applications in self-cleaning and oil-water separation technologies.</p></div>","PeriodicalId":517,"journal":{"name":"Chinese Journal of Polymer Science","volume":"43 10","pages":"1850 - 1862"},"PeriodicalIF":4.0,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145242656","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}
Zhi-Yuan Wang, Xing-Ye Li, Zheng Wang, Yu-Hua Yin, Run Jiang, Peng-Fei Zhang, Bao-Hui Li
{"title":"Influence of Pressure on the Co-nonsolvency Effect of Homopolymer in Solutions: A Molecular Dynamics Simulation Study","authors":"Zhi-Yuan Wang, Xing-Ye Li, Zheng Wang, Yu-Hua Yin, Run Jiang, Peng-Fei Zhang, Bao-Hui Li","doi":"10.1007/s10118-025-3400-0","DOIUrl":"10.1007/s10118-025-3400-0","url":null,"abstract":"<div><p>Stimuli-responsive polymers capable of rapidly altering their chain conformation in response to external stimuli exhibit broad application prospects. Experiments have shown that pressure plays a pivotal role in regulating the microscopic chain conformation of polymers in mixed solvents, and one notable finding is that increasing the pressure can lead to the vanishing of the co-nonsolvency effect. However, the mechanisms underlying this phenomenon remain unclear. In this study, we systematically investigated the influence of pressure on the co-nonsolvency effect of single-chain and multi-chain homopolymers in binary mixed good-solvent systems using molecular dynamics simulations. Our results show that the co-nonsolvency-induced chain conformation transition and aggregation behavior significantly depend on pressure in all single-chain and multi-chain systems. In single-chain systems, at low pressures, the polymer chain maintains a collapsed state over a wide range of co-solvent fractions (x-range) owing to the co-nonsolvency effect. As the pressure increases, the x-range of the collapsed state gradually narrows, accompanied by a progressive expansion of the chain. In multichain systems, polymer chains assemble into approximately spherical aggregates over a broad x-range at low pressures owing to the co-nonsolvency effect. Increasing the pressure reduces the x-range for forming aggregates and leads to the formation of loose aggregates or even to a state of dispersed chains at some x-range. These findings indicate that increasing the pressure can weaken or even offset the co-nonsolvency effect in some x-range, which is in good agreement with the experimental observations. Quantitative analysis of the radial density distributions and radial distribution functions reveals that, with increasing pressure, (1) the densities of both polymers and co-solvent molecules within aggregates decrease, while that of the solvent molecule increases; and (2) the effective interactions between the polymer and the co-solvent weaken, whereas those between the polymer and solvent strengthen. This enhances the incorporation of solvent molecules within the chains, thereby weakening or even suppressing the chain aggregation. Our study not only elucidates the regulatory mechanism of pressure on the microscopic chain conformations and aggregation behaviors of polymers, but also may provide theoretical guidance for designing smart polymeric materials based on mixed solvents.</p></div>","PeriodicalId":517,"journal":{"name":"Chinese Journal of Polymer Science","volume":"43 10","pages":"1929 - 1938"},"PeriodicalIF":4.0,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145242619","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}
Qing-Shu Dong, Qing-Liang Song, Kun Tian, Wei-Hua Li
{"title":"AI-driven Automated Construction of Block Copolymer Phase Diagrams","authors":"Qing-Shu Dong, Qing-Liang Song, Kun Tian, Wei-Hua Li","doi":"10.1007/s10118-025-3396-5","DOIUrl":"10.1007/s10118-025-3396-5","url":null,"abstract":"<div><p>The self-assembly of block copolymers serves as an effective approach for fabricating various periodic ordered nanostructures. By employing self-consistent field theory (SCFT) to calculate the phase diagrams of block copolymers, one can accurately predict their self-assembly behaviors, thus providing guidance for the fabrication of various novel structures. However, SCFT is highly sensitive to initial conditions because it finds the free energy minima through an iterative process. Consequently, constructing phase diagrams using SCFT typically requires predefined candidate structures based on the experience of researchers. Such experience-dependent strategies often miss some structures and thus result in inaccurate phase diagrams. Recently, artificial intelligence (AI) techniques have demonstrated significant potential across diverse fields of science and technology. By leveraging AI methods, it is possible to reduce reliance on human experience, thereby constructing more robust and reliable phase diagrams. In this work, we demonstrate how to combine AI with SCFT to automatically search for self-assembled structures of block copolymers and construct phase diagrams. Our aim is to realize automatic construction of block copolymer phase diagrams while minimizing reliance on human prior knowledge.</p></div>","PeriodicalId":517,"journal":{"name":"Chinese Journal of Polymer Science","volume":"43 10","pages":"1730 - 1738"},"PeriodicalIF":4.0,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145242629","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 Single-dose Vaccine Using Ultrasound-responsive Hydrogel for Controlled Antigen Release and Enhanced Immunization Efficacy","authors":"Zhi-Yuan Shi, Xing-Hui Si, Ren-Ming Wan, Zhen-Yi Zhu, Wan-Tong Song, Xue-Si Chen","doi":"10.1007/s10118-025-3397-4","DOIUrl":"10.1007/s10118-025-3397-4","url":null,"abstract":"<div><p>Sustained antigen release from delivery systems is a pivotal strategy to enhance vaccine-induced immune responses, primarily by mimicking the antigen exposure kinetics of natural infections to synchronously boost humoral and cellular immunity. However, the absence of an “antigen boost” effect in current approaches stands as a critical bottleneck, limiting the intensity and durability of immune responses. To address the critical gap of insufficient antigen boosting in sustained-release vaccine platforms, we engineered an ultrasound-responsive hydrogel (URH) with diselenide-functionalized 4-arm PEG-ONH<sub>2</sub> (4-arm PEG-Se-Se-ONH<sub>2</sub>), 4-arm PEG-ONH<sub>2</sub> and ODEX. Leveraging its exceptional ultrasonic sensitivity, the URH enables timely controlled, multiple-boost antigen release both <i>in vitro</i> and <i>in vivo</i>, overcoming the limitations of conventional sustained-release systems. With the multiple boost release mode triggered by ultrasound, the immune response in lymph nodes was significantly stronger than that in sustained release group without ultrasonic trigger. At the same time, it also greatly improved the humoral immunity level, URH+US-OVA elicited 7.5×10<sup>4</sup>-fold higher anti-OVA IgG titers over commercial Al-OVA vaccines and 440-fold higher than URH-OVA vaccines at day 40 post-vaccination, while the levels of blood routine and inflammatory factors were within the normal range, which proved that the safety of URH vaccines. The results support that the antigen release mode is a key factor affecting the immunological efficacy of vaccines, and URH can be modularized to regulate the multiple boost antigen release mode.</p></div>","PeriodicalId":517,"journal":{"name":"Chinese Journal of Polymer Science","volume":"43 10","pages":"1814 - 1824"},"PeriodicalIF":4.0,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145242614","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}
Wan-Xun Feng, Song-Qi Zhang, Yin-Yi Xu, Xiang-Fei Ye, Xin-Yao Xu, Li-Quan Wang, Jia-Ping Lin, Chun-Hua Cai, Lei Du
{"title":"Machine-learning-assisted Materials Genome Approach for Designing High-performance Thermosetting Polyimides","authors":"Wan-Xun Feng, Song-Qi Zhang, Yin-Yi Xu, Xiang-Fei Ye, Xin-Yao Xu, Li-Quan Wang, Jia-Ping Lin, Chun-Hua Cai, Lei Du","doi":"10.1007/s10118-025-3403-x","DOIUrl":"10.1007/s10118-025-3403-x","url":null,"abstract":"<div><p>Enhancing the mechanical properties is crucial for polyimide films, but the mechanical properties (Young’s modulus, tensile strength, and elongation at break) mutually constrain each other, complicating simultaneous enhancement <i>via</i> traditional trial-and-error methods. In this work, we proposed a materials genome approach to design and screen phenylethynyl-terminated polyimides for films with enhanced mechanical properties. We first established machine learning models to predict Young’s modulus, tensile strength, and elongation at break to explore the chemical space containing thousands of candidate structures. The accuracies of the machine learning models were verified by molecular dynamics simulations on screened polyimides and experimental testing on three representative polyimide films. The performance advantages of the best-selected polyimides were analyzed by comparing well-known polyimides based on molecular dynamics simulations, and the structural rationale was revealed by “gene” analysis and feature importance evaluation. This work provides a cost-effective strategy for designing polyimide films with enhanced mechanical properties.</p></div>","PeriodicalId":517,"journal":{"name":"Chinese Journal of Polymer Science","volume":"43 10","pages":"1718 - 1729"},"PeriodicalIF":4.0,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145242628","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":"Data-efficient Machine Learning for Polymer Informatics","authors":"Xin-Yao Xu, Xiao Hu, Li-Quan Wang, Ying Jiang","doi":"10.1007/s10118-025-3401-z","DOIUrl":"10.1007/s10118-025-3401-z","url":null,"abstract":"<div><p>Polymer informatics faces challenges owing to data scarcity arising from complex chemistries, experimental limitations, and processing-dependent properties. This review presents the recent advances in data-efficient machine learning for polymers. First, data preparation techniques such as data augmentation and rational representation help expand the dataset size and develop useful features for learning. Second, modeling approaches, including classical algorithms and physics-informed methods, enhance the model robustness and reliability under limited data conditions. Third, learning strategies, such as transfer learning and active learning, aim to improve generalization and guide efficient data acquisition. This review concludes by outlining future opportunities in machine learning for small-data scenarios in polymers. This review is expected to serve as a useful tool for newcomers and offer deeper insights for experienced researchers in the field.</p></div>","PeriodicalId":517,"journal":{"name":"Chinese Journal of Polymer Science","volume":"43 10","pages":"1707 - 1717"},"PeriodicalIF":4.0,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145242690","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":"Non-covalently Functionalized Carbon Nanotube by Hyaluronic Acid Based Azo Polymer for Photothermal Elimination of Tumor Cells","authors":"He-Ting Li, Wen-Long Zhang, Ya-Ning He","doi":"10.1007/s10118-025-3393-8","DOIUrl":"10.1007/s10118-025-3393-8","url":null,"abstract":"<div><p>Photothermal therapy has been renowned for its non-invasive and highly precise approach in cancer treatment. Therefore, the synthesis of suitable photothermal agent has attracted wide attention. In this study, a non-covalent method for modifying carbon nanotube by hyaluronic acid based azo polymer was proposed. Hyaluronic acid based azo polymer was attached to the surface of carbon nanotube <i>via</i> the <i>π</i>-<i>π</i> interaction and hydrophobic interaction between azo moiety and the wall of carbon nanotube. After the self-assembly process, the modification was demonstrated with transmission electron microscopy, infrared spectra and thermal gravimetric analysis. The modified carbon nanotube (HA-MWCNT) was endowed with both the tumor cell targeting property of hyaluronic acid and the excellent photothermal effect of carbon nanotube, enabling it to serve as photothermal agent for eliminating tumor cells. Upon co-culture with HeLa cells, HA-MWCNT was proved to exhibit low cytotoxicity without irradiation. After being irradiated with infrared laser light, the HeLa cells cultured with HA-MWCNT perished due to the heat generated by the endocytosed HA-MWCNT, which attested to the potential of HA-MWCNT as a photothermal agent for cancer treatment.</p></div>","PeriodicalId":517,"journal":{"name":"Chinese Journal of Polymer Science","volume":"43 10","pages":"1785 - 1791"},"PeriodicalIF":4.0,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145242647","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":"Static Flocculation in Carbon Black-filled Rubber: from Constrained Filler Motion to Polymer-driven Interfacial Reinforcement","authors":"Yu-Ge Wang, Jun-Lei Guan, Si-Yuan Chen, Yuan Yin, Hong-Guo Sun, Ya-Fang Zheng, Qian-Qian Gu, Zhao-Yan Sun","doi":"10.1007/s10118-025-3391-x","DOIUrl":"10.1007/s10118-025-3391-x","url":null,"abstract":"<div><p>The flocculation behavior of carbon black (CB)-filled isoprene rubber (IR) nanocomposites was systematically investigated under both dynamic and static conditions to unravel the distinct mechanisms governing filler network evolution. Under dynamic conditions, small oscillatory shear strains (0.1%) significantly enhanced filler particle motion, leading to pronounced agglomeration and a flocculation degree of about 4.3 MPa at 145 °C. In contrast, static flocculation exhibited a fundamentally different mechanism dominated by polymer chain dynamics, which is driven mainly by thermal activation. Radial distribution function (RDF) analysis of transmission electron microscopy (TEM) images revealed a slight decrease (2 nm) in the interparticle distance peak after static annealing at 100 °C for 7 h, indicating localized motion of CB particles. However, the overall filler network remained stable, with no significant agglomeration observed. The increase in bound rubber content from about 23% to 28% with rising temperature further confirmed the dominant role of polymer chain adsorption and interfacial reinforcement in static flocculation. These findings highlight the critical influence of external strain on filler network formation and provide new insights into the polymer-dominated mechanism of static flocculation. The results offer practical guidance for optimizing the storage and processing of rubber nanocomposites, particularly in applications where static flocculation during prolonged storage is a concern.</p></div>","PeriodicalId":517,"journal":{"name":"Chinese Journal of Polymer Science","volume":"43 10","pages":"1917 - 1928"},"PeriodicalIF":4.0,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145242617","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":"Fluorescent Polyurea-Carbon Dots: Preparation, Characterization and Use as Sensor for Doxycycline Detection","authors":"Xiao-Xia Zhou, Yi-Ting Yin, Xiao-Yi Zhang, Shu-Sheng Li, Xu-Bao Jiang, Xiao-Li Zhu, Xiang-Zheng Kong","doi":"10.1007/s10118-025-3395-6","DOIUrl":"10.1007/s10118-025-3395-6","url":null,"abstract":"<div><p>Fluorescent polyurea-carbon dots (PU-CD) were successfully achieved through a co-pyrolysis technique, combining polyurea (PU) with carboxyl-containing carbon dots (PCD) at a temperature of 220 °C. The PU was fabricated <i>via</i> a simple precipitation polymerization process using toluene diisocyanate in a water/acetone binary solvent system. PCD was generated by thermal treatment of poly(ethylene glycol) (PEG) at the same elevated temperature. To elucidate the structural characteristics of PU-CD, as well as its precursor components PU and PCD, a comprehensive suite of analytical techniques was employed, including transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR), nuclear magnetic resonance (NMR), dynamic light scattering (DLS) and X-ray photoelectron spectroscopy (XPS). These analyses confirmed the formation of amide bonds resulting from the reaction between the terminal amines of PU and the carboxyl groups of PCD. An in-depth comparison of the fluorescence properties of PU-CD revealed marked enhancements in fluorescence intensity when contrasted with PU, PEG, and the individual PCD. The research explored the impact of various factors such as concentration, pH in aqueous solutions, and solvent type on the fluorescence emission of these materials, providing valuable insights into their emission mechanisms. It was particularly noteworthy that both PCD and PU-CD exhibited a confined-domain crosslink-enhanced emission effect. Utilizing the aqueous dispersion of PU-CD as a fluorescent probe, the detection of doxycycline (DOX), a long-acting, broad-spectrum, semi-synthetic tetracycline antibiotic, was achieved with a detection limit of 2.9×10<sup>−7</sup> mol/L. This study introduces a simple, green, and cost-effective fluorescent probe for the detection of DOX, which has significant potential for application in the realms of analytical chemistry and food safety monitoring in the future.</p></div>","PeriodicalId":517,"journal":{"name":"Chinese Journal of Polymer Science","volume":"43 10","pages":"1792 - 1803"},"PeriodicalIF":4.0,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145242691","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}