Macromolecular Rapid Communications最新文献

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Issue Information: Macromol. Rapid Commun. 20/2026 发布信息:Macromol。快速通信,20/2026
IF 4.1 3区 化学
Macromolecular Rapid Communications Pub Date : 2026-10-20 DOI: 10.1002/marc.70456
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引用次数: 0
Topology-Directed Synthesis of Macroscopic Perylene-Silsesquioxane Polymeric Aerogels: Overcoming Aggregation-Caused Quenching for Dual-Action Water Remediation 拓扑定向合成宏观苝-硅氧烷聚合物气凝胶:克服双作用水修复中聚集引起的猝灭。
IF 4.1 3区 化学
Macromolecular Rapid Communications Pub Date : 2026-10-20 Epub Date: 2026-08-16 DOI: 10.1002/marc.70406
Chenyu Sun, Masafumi Unno, Hongzhi Liu
{"title":"Topology-Directed Synthesis of Macroscopic Perylene-Silsesquioxane Polymeric Aerogels: Overcoming Aggregation-Caused Quenching for Dual-Action Water Remediation","authors":"Chenyu Sun,&nbsp;Masafumi Unno,&nbsp;Hongzhi Liu","doi":"10.1002/marc.70406","DOIUrl":"10.1002/marc.70406","url":null,"abstract":"<div>\u0000 \u0000 <p>The persistent toxicity of phenolic contaminants necessitates the development of integrated water remediation technologies. While the synergistic “trap-and-destroy” pathway—combining rapid adsorption with in-situ photocatalytic degradation—is highly promising, its practical deployment is often hindered by the aggregation-caused quenching (ACQ) of organic chromophores and the recovery challenges associated with suspended powder catalysts. This work proposes a topology-directed engineering strategy to fabricate a macroscopic, metal-free material (PCSOA) by crosslinking perylene diimides with rigid polyhedral oligomeric silsesquioxane (POSS or SQs) cages. DFT calculations suggest that the rigid POSS nodes provide strong structural constraint to restrict the molecular motion of the photoactive perylene units, thereby suppressing non-radiative decay pathways while largely preserving the intrinsic frontier molecular orbitals. Driven by strong electrostatic and π-π affinities, the highly polarized network captures trinitrophenol with an uptake reaching 929 mg g<sup>−1</sup>. By gathering target molecules directly around the active sites, this localized accumulation significantly enhances visible-light photoactivity. Consequently, the system delivers a phenol mineralization rate constant of 1.79 h<sup>−</sup><sup>1</sup> and removes over 98% of the total organic carbon (TOC). From a practical standpoint, formatting the material into a macroscopic aerogel bypasses the cumbersome separation steps inherent to powders, allowing for stable and high-throughput water treatment in continuous-flow setups.</p>\u0000 </div>","PeriodicalId":205,"journal":{"name":"Macromolecular Rapid Communications","volume":"47 20","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148757256","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}
引用次数: 0
Porous Hygroscopic Superabsorbent Polymer Fabricated via High-Speed Shearing Homogenization of High Internal Phase Emulsion for Humidity Regulation 高内相乳液高速剪切均质制备多孔吸湿高吸湿聚合物。
IF 4.1 3区 化学
Macromolecular Rapid Communications Pub Date : 2026-10-20 Epub Date: 2026-08-17 DOI: 10.1002/marc.70410
Jiawen Xu, Yongmiao Shen, Mingyu Guo
{"title":"Porous Hygroscopic Superabsorbent Polymer Fabricated via High-Speed Shearing Homogenization of High Internal Phase Emulsion for Humidity Regulation","authors":"Jiawen Xu,&nbsp;Yongmiao Shen,&nbsp;Mingyu Guo","doi":"10.1002/marc.70410","DOIUrl":"10.1002/marc.70410","url":null,"abstract":"<div>\u0000 \u0000 <p>Humidity regulation plays a critical role in human comfort, industrial processes, and art preservation. Developing solid hygroscopic materials that simultaneously achieve high moisture uptake, low-temperature regeneration, and rapid adsorption kinetics remains a significant challenge. Herein, we report a porous hygroscopic superabsorbent polymer, porous poly(acrylic acid-co-sodium acrylate) (PPAANa), synthesized via high internal phase emulsion (HIPE) templating coupled with high-speed shearing homogenization and a polymerizable macromolecular surfactant. At 25°C, PPAANa achieves a moisture uptake of 0.76 g g<sup>−1</sup> within 45 min at 70% relative humidity (RH) and 1.53 g g<sup>−1</sup> within 105 min under 90% RH, demonstrating high capacity and fast kinetics. Moreover, 90% of the adsorbed water was released within 20 min under a low regeneration temperature of 60°C (20% RH), underscoring its fast and energy-efficient desorption performance. Additionally, a small dosage of PPAANa (0.125 g L<sup>−1</sup>) reduces the RH from 90% to 58% within 1 h at 25°C. Conversely, when pre-loaded with 0.25–0.45 g g<sup>−1</sup> of water, it raises the RH from 30% to a tunable range of 42%–59% under the same conditions. These results highlight PPAANa as a promising polymer desiccant for energy‑efficient and intelligent indoor humidity regulation.</p>\u0000 </div>","PeriodicalId":205,"journal":{"name":"Macromolecular Rapid Communications","volume":"47 20","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148786340","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}
引用次数: 0
Fabrication of Remotely Activated Shape-Memory Polymer Composites via Single-Step Photopolymerization 单步光聚合制备远程激活形状记忆聚合物复合材料。
IF 4.1 3区 化学
Macromolecular Rapid Communications Pub Date : 2026-10-20 Epub Date: 2026-08-18 DOI: 10.1002/marc.70412
Ruth N. Schmarsow, Ileana A. Zucchi, Gustavo F. Arenas, Walter F. Schroeder
{"title":"Fabrication of Remotely Activated Shape-Memory Polymer Composites via Single-Step Photopolymerization","authors":"Ruth N. Schmarsow,&nbsp;Ileana A. Zucchi,&nbsp;Gustavo F. Arenas,&nbsp;Walter F. Schroeder","doi":"10.1002/marc.70412","DOIUrl":"10.1002/marc.70412","url":null,"abstract":"<div>\u0000 \u0000 <p>A simple one-step photopolymerization strategy is presented to fabricate multifunctional shape-memory polymer composites capable of remote and programmable light-triggered actuation. The composites integrate gold nanoparticles and semicrystalline poly(ethylene)-<i>block</i>-poly(ethylene oxide) nanoribbons within a cross-linked epoxy network. During curing, the block copolymer undergoes crystallization-driven self-assembly, generating micrometer-long nanoribbons that act as reversible thermal switching domains, while gold nanoparticles are simultaneously formed in situ, enabling efficient conversion of visible light into localized heat through plasmonic excitation. Spectroscopic and microscopic analyses confirm the successful incorporation of both components without compromising their native morphology. Differential scanning calorimetry reveals two distinct thermal events corresponding to the glass transition of the epoxy matrix and the melting of the polyethylene domains, providing two independently addressable switching temperatures. Under green-light irradiation, the embedded gold nanoparticles rapidly raise the local temperature, enabling not only remote activation of the shape-memory effect but also programmable sequential shape recovery by selectively activating each thermal transition through laser power adjustment. These results demonstrate that combining crystalline block copolymer nanostructures with plasmonic nanoparticles enables remotely controlled multi-stage actuation using a single external stimulus. This scalable and ambient-compatible approach provides a versatile platform for the design of light-responsive composites with tunable thermal and mechanical behavior, offering opportunities for applications in smart coatings, remote actuators, and programmable materials.</p>\u0000 </div>","PeriodicalId":205,"journal":{"name":"Macromolecular Rapid Communications","volume":"47 20","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148786399","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}
引用次数: 0
Cross-Linkable Room-Temperature Phosphorescent Polymer Blends With Ultrawide Modulus Tunability 具有超宽模量可调性的室温交联磷光聚合物共混物。
IF 4.1 3区 化学
Macromolecular Rapid Communications Pub Date : 2026-10-20 Epub Date: 2026-08-20 DOI: 10.1002/marc.70405
Junhong Liang, Zijun Huang, Shu-Ming Cui, Taolin Sun, Yingying Wang, Tao Wen
{"title":"Cross-Linkable Room-Temperature Phosphorescent Polymer Blends With Ultrawide Modulus Tunability","authors":"Junhong Liang,&nbsp;Zijun Huang,&nbsp;Shu-Ming Cui,&nbsp;Taolin Sun,&nbsp;Yingying Wang,&nbsp;Tao Wen","doi":"10.1002/marc.70405","DOIUrl":"10.1002/marc.70405","url":null,"abstract":"<div>\u0000 \u0000 <p>Pure organic room-temperature phosphorescence (RTP) polymers have attracted considerable attention for their promising applications in information encryption, anti-counterfeiting, and flexible optoelectronics. Herein, we report a strategy combining physical blending and in situ covalent cross-linking to fabricate processable RTP polymer blends with ultrawide mechanical tunability. Flowable precursors are first prepared by dispersing carbazole-based phosphor-doped polystyrene (PS) into polyethylene glycol (PEG), followed by cross-linking of terminal hydroxyl groups to form a three-dimensional polyurethane network that provides an excellent oxygen barrier and shape fixation. The optimized system exhibits bright yellow RTP with afterglow durations of 1.7–5.5 s, representing a 2–5-fold enhancement compared with non-cross-linked systems. Impressively, Young's modulus can be precisely tuned over 9 orders of magnitude from ∼10<sup>−1</sup> to ∼10<sup>8</sup> Pa. This work provides a universal and scalable route for developing moldable, mechanics-tunable RTP polymers for advanced optical and anti-counterfeiting applications.</p>\u0000 </div>","PeriodicalId":205,"journal":{"name":"Macromolecular Rapid Communications","volume":"47 20","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148786417","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}
引用次数: 0
Polymeric Polyaldehyde Approach to Develop Robust Dynamic Covalent Adaptive Polyimine Networks 聚合-聚醛方法建立鲁棒动态共价自适应聚亚胺网络。
IF 4.1 3区 化学
Macromolecular Rapid Communications Pub Date : 2026-10-20 Epub Date: 2026-08-26 DOI: 10.1002/marc.70413
Subrata Dolui, Sofia Nieves Casillas-Popova, Seung Ki Lee, Sun Ju Kim, Hira Rasheed, Zhibin Ye, Minsoo P. Kim, Hyun Wook Jung, Jung Kwon Oh
{"title":"Polymeric Polyaldehyde Approach to Develop Robust Dynamic Covalent Adaptive Polyimine Networks","authors":"Subrata Dolui,&nbsp;Sofia Nieves Casillas-Popova,&nbsp;Seung Ki Lee,&nbsp;Sun Ju Kim,&nbsp;Hira Rasheed,&nbsp;Zhibin Ye,&nbsp;Minsoo P. Kim,&nbsp;Hyun Wook Jung,&nbsp;Jung Kwon Oh","doi":"10.1002/marc.70413","DOIUrl":"10.1002/marc.70413","url":null,"abstract":"<p>Polyimine-based covalent adaptive networks crosslinked with Schiff bases (PI-CANs) have been developed as effective building blocks to construct advanced polymeric materials possessing reprocessability, self-healability, and sustainability. Most approaches to fabricate PI-CANs involve the synthesis and use of small molecule polyaldehydes. Herein, we report a versatile approach exploring the synthesis of polymeric polyaldehydes (PP-CHO) with a polyacrylate backbone bearing pendant aldehyde groups to develop self-healable, reprocessable polyacrylate-PI hybrid CANs. The approach centers on the synthesis of well-defined poly(2-hydroxyethyl acrylate) bearing aldehyde pendants (PHEA-CHO) by a photo-indued reversible deactivation radical polymerization,(Photo-RDRP) followed by post-polymerization modification. The PHEA-CHO is highly reactive to an aliphatic diamine, enabling the fabrication of transparent, integrated, dynamic PHEA-PI hybrid CAN films. They exhibit lower activation energy (E<sub>a</sub> = 14.6 kcal/mol) for stress relaxation even at mild temperature (50°C – 80°C) and good self-healability and reprocessability as retaining their mechanical strengths upon a recycle. Promisingly, they degrade to corresponding aldehyde and amine precursors through acid-catalyzed hydrolysis of benzoic imine crosslinks, offering potential for sustainability as recyclable dynamic covalent systems. These results suggest that the PP-CHO approach is versatile for the development of dynamic PI-CAN materials capable of the built-in ability for extended operation and enhanced reliability.</p>","PeriodicalId":205,"journal":{"name":"Macromolecular Rapid Communications","volume":"47 20","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/marc.70413","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148823502","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Biobased and Colorless Polyimides With High Biomass Content and Transparency Derived From Camphor-Based Alicyclic Diamines 从樟脑脂环二胺中提取的高生物量含量和高透明度的生物基无色聚酰亚胺。
IF 4.1 3区 化学
Macromolecular Rapid Communications Pub Date : 2026-10-20 Epub Date: 2026-08-12 DOI: 10.1002/marc.70404
Hsiang-Mien Wang, Yu Liu, Yan-Cheng Lin, Wen-Chang Chen
{"title":"Biobased and Colorless Polyimides With High Biomass Content and Transparency Derived From Camphor-Based Alicyclic Diamines","authors":"Hsiang-Mien Wang,&nbsp;Yu Liu,&nbsp;Yan-Cheng Lin,&nbsp;Wen-Chang Chen","doi":"10.1002/marc.70404","DOIUrl":"10.1002/marc.70404","url":null,"abstract":"<div>\u0000 \u0000 <p>Polyimides (PIs) are widely used as advanced substrates due to their excellent thermal and mechanical properties. However, conventional petroleum-based aromatic PIs suffer from intrinsic coloration arising from charge-transfer complex (CTC) formation, limiting their optoelectronic applications. In this study, two camphor-derived alicyclic diamines (CA and CM) were synthesized, along with a reference isosorbide-derived diamine (IS). These monomers were polymerized with 1,2,3,4-cyclobutanetetracarboxylic dianhydride (CB) and a tetracarboxylic dianhydride featuring a cyclopentanone bis-spironorbornane structure (Cp) to prepare six biobased CPIs. Their favorable optical transparency arises from the combined contribution of the non-conjugated dianhydride structures and the alicyclic camphor-derived diamine structures. The structure–property relationships of the biobased CPIs were systematically investigated. The CA series exhibits limited film-forming ability because of its highly rigid molecular structure. In contrast, incorporating a methylene spacer into the CM series enhanced chain flexibility, leading to improved film-forming ability and overall film quality. Among the prepared CPIs, CM–CB exhibited the most balanced performance, achieving 60% biomass content, optical transparency (<i>T</i><sub>400</sub> = 82% and <i>YI</i> = 3), and a glass transition temperature above 300°C. These results suggest that camphor-derived diamines can serve as useful biobased units for developing CPIs with balanced optical transparency and thermal properties.</p>\u0000 </div>","PeriodicalId":205,"journal":{"name":"Macromolecular Rapid Communications","volume":"47 20","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148719633","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}
引用次数: 0
Oxidative Polycondensation of Pyrazolone-Based Schiff Bases: Synthesis, Structural Characterization, Thermal and Electrical Properties 吡唑酮基席夫碱的氧化缩聚:合成、结构表征、热电性能。
IF 4.1 3区 化学
Macromolecular Rapid Communications Pub Date : 2026-10-20 Epub Date: 2026-08-16 DOI: 10.1002/marc.70403
Adnan Solmaz, Reşit Çakmak, İsmet Kaya
{"title":"Oxidative Polycondensation of Pyrazolone-Based Schiff Bases: Synthesis, Structural Characterization, Thermal and Electrical Properties","authors":"Adnan Solmaz,&nbsp;Reşit Çakmak,&nbsp;İsmet Kaya","doi":"10.1002/marc.70403","DOIUrl":"10.1002/marc.70403","url":null,"abstract":"<div>\u0000 \u0000 <p>Schiff base derivatives, namely 3-(((2-hydroxynaphthalen-1-yl)methylene)amino)-1-phenyl-1-pyrazole-5-one (3-APPHNA) and 4-(((2-hydroxynaphthalen-1-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3-one (4-APPHNA), were synthesized via the condensation reaction of 3-amino-1-phenyl-2-pyrazolin-5-one (3-APP) and 4-amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one, (4-APP) with 2-hydroxynaphthaldehyde (2-HNA) in ethanol. Synthesized monomers were then converted into their oligomeric derivatives via oxidative polycondensation carried out using NaOCl. The structural, thermal, optical, electrochemical, and morphological properties of the obtained monomers were comprehensively characterized using fourier transform infrared (FT-IR), proton nuclear magnetic resonance (<sup>1</sup>H-NMR), carbon-13 nuclear magnetic resonance (<sup>1</sup><sup>3</sup>C-NMR), ultraviolet-visible spectrophotometer (UV–vis), thermogravimetry-derivative thermogravimetry (TG-DTG), and cyclic voltammetric analyses. Spectroscopic studies confirmed the successful synthesis of Schiff bases and the presence of stable azomethine bonds. Molecular weight, glass transition temperature, and surface morphologies of oligomers were determined by gel permeation chromatography (GPC), differential scanning calorimetry (DSC), and field emission scanning electron microscope (FE-SEM) measurements, respectively. The M<sub>n</sub> values of oligo(3-APPHNA) and oligo(4-APPHNA) were found to be 3400 and 2900 Da, respectively. The results revealed an oxidative oligomerization process yielding relatively narrow molecular weight distributions. Oligo(4-APPHNA) has shown more pronounced semiconductor properties compared to other oligomers, considering its 2.30 eV optical band gap and frequency-dependent electrical behavior. Additionally, dielectric measurements showed that oligo(4-APPHNA) exhibited higher dielectric constant, dielectric loss, and AC conductivity values throughout the investigated frequency range. These findings suggest that the synthesized oligomers are promising candidate materials for future optoelectronic and semiconductor applications, but further research at the device level is needed.</p>\u0000 </div>","PeriodicalId":205,"journal":{"name":"Macromolecular Rapid Communications","volume":"47 20","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148756920","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}
引用次数: 0
A Review on the Study of Fiber-Reinforced Thermoplastic Elastomer Composites 纤维增强热塑性弹性体复合材料的研究进展。
IF 4.1 3区 化学
Macromolecular Rapid Communications Pub Date : 2026-10-20 Epub Date: 2026-08-21 DOI: 10.1002/marc.70411
Bingrui Yang, Xiaojie Chen, Junjie Jiang, Hanyi Huang, Ziwei Qin, Wentao Zhai
{"title":"A Review on the Study of Fiber-Reinforced Thermoplastic Elastomer Composites","authors":"Bingrui Yang,&nbsp;Xiaojie Chen,&nbsp;Junjie Jiang,&nbsp;Hanyi Huang,&nbsp;Ziwei Qin,&nbsp;Wentao Zhai","doi":"10.1002/marc.70411","DOIUrl":"10.1002/marc.70411","url":null,"abstract":"<div>\u0000 \u0000 <p>Fiber-reinforced elastomers can significantly enhance mechanical strength while retaining material softness, thereby expanding the application scope of elastomeric materials in scenarios requiring both high flexibility and high strength. Compared with thermoplastic polymers and ceramic materials, elastomers exhibit low modulus and high fracture strain, which result in more complex fiber–matrix interfacial behaviors. This review systematically elucidates the intrinsic relationships between microscopic stress transfer mechanisms and macroscopic mechanical properties in fiber-reinforced elastomers, summarizes research progress in this field over the past two decades, and highlights the effects of various reinforcement strategies on performance optimization, providing a theoretical basis for the design and development of next-generation high-performance fiber-reinforced elastomers.</p>\u0000 </div>","PeriodicalId":205,"journal":{"name":"Macromolecular Rapid Communications","volume":"47 20","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148786370","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}
引用次数: 0
An Automated Platform for the Design and Screening of Colorless UV Absorber Molecules With Enhanced UV Absorption 增强紫外吸收的无色紫外吸收剂分子设计与筛选的自动化平台。
IF 4.1 3区 化学
Macromolecular Rapid Communications Pub Date : 2026-10-20 Epub Date: 2026-08-16 DOI: 10.1002/marc.70409
Xiangze Meng, Rui Yang
{"title":"An Automated Platform for the Design and Screening of Colorless UV Absorber Molecules With Enhanced UV Absorption","authors":"Xiangze Meng,&nbsp;Rui Yang","doi":"10.1002/marc.70409","DOIUrl":"10.1002/marc.70409","url":null,"abstract":"<div>\u0000 \u0000 <p>UV absorbers are essential for long-term durability, yet boosting UV absorption without visible coloration presents a classic trade-off. We present an automated, high-throughput design platform that balances these objectives by optimizing site–substituent patterns on a benzophenone (BP) scaffold. Solar-weighted kinetic metrics quantify the UV-band rate constant (<i>k<sub>UV</sub></i>) and the visible-band rate constant (<i>k<sub>vis</sub></i>). Guided by favorable site–substituent rules, a focused design yields candidates with high <i>k<sub>UV</sub></i> and near-zero <i>k<sub>vis</sub></i>. The lead candidate is identified as a high-potential candidate, with a predicted <i>k<sub>UV</sub></i> = 5.28 × 10<sup>−3</sup> s<sup>−1</sup> (≈ 260 × that of commercial BP, 2.06 × 10<sup>−5</sup> s<sup>−1</sup>) with an estimated negligible visible absorption. Compared with BP, the leader one exhibits a broad, strong absorption band in the 275–350 nm range, yielding extended and enhanced UV absorption. These results overturn the perceived trade-off between high UV absorption and colorlessness. The platform provides rapid, computationally-informed design directions that shortens development cycles and reduces costs, replacing ad hoc few-molecule computations with a generalizable, reusable framework across polymer systems.</p>\u0000 </div>","PeriodicalId":205,"journal":{"name":"Macromolecular Rapid Communications","volume":"47 20","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148766134","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}
引用次数: 0
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