science and technology

Synthesis of Asymmetric Imine Polymers for Highly Selective Sorting of Semiconducting Single-Walled Carbon Nanotubes by Two in One Strategy

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Polym. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4PY00607K, Paper
Ying Zhang, Yu Li, Yuchi Wan, Jun-Hao Wang, Yunzhen Chang, Sheng Zhu, Lan Bai, Yu Cao, Xuelei Liang, Gaoyi Han
By two in one strategy, we get three polymers of fluorene derivative with asymmetric structure functionalized with two types of arenes with different orientation and electronic properties. The polymers are...
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Long afterglow epoxidized soybean oil polymer composites with reversible dynamic cross-linking for intelligent coating

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Polym. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4PY00857J, Paper
Jiaman Hu, Zihao Wang, Minglin Yang, Chuansong Yu, Siyu Li, Yinggang Miao, Xiangqian Quan, Jize Liu, Shiyang Shao
High-performance coatings with advanced functions such as long afterglow luminescence and self-healing have attracted great interest around the world, however, the integration of these desired multifunctions in a single composite...
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An efficient and economical degradation strategy for epoxy thermoset based on low cost transesterification catalyst

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Polym. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4PY01137F, Paper
Zhijun Yang, Shuhan Zhang, Huan Liang, Enjian He, Yixuan Wang, Ting Lei, Zhicheng Wu, Qiulin Chen, Fusheng Zhou, Yen Wei, Yan Ji
Epoxy thermoset materials are widely used in the field of electrical engineering, including gas-insulated enclosed switches and drytype transformers. It is a challenge to degrade and recycle traditional epoxy thermoset,...
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Functionalization of nano-objects in living anionic polymerization-induced self-assembly and their use for improving thermal properties of epoxy resins

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Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY01008F, Paper
Guicun Guo, Jiali Wu, Jingwei Zhang, Peng Zhou, Ding Shen, Penghan Li, Guowei Wang
Using LAPISA or LAPICA, stabilized PDVB@(PI-b-PS) and PDVB@(PI-b-PS/PS) nano-objects were prepared, functionalized and used as additives for epoxy resin, providing improved Tgs, integrated interfaces, uniform distributions, and scalable applications.
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Control over membrane fluidity and biophysical properties of synthetic terpolymer stabilized complex coacervates

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Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY00978A, Paper
Open Access
Sebastian Novosedlik, Alexander B. Cook, Tim J. F. M. Voermans, Henk M. Janssen, Jan C. M. van Hest
Cell membranes are vital barriers that regulate the composition of the intracellular environment and facilitate communication processes essential for cellular function and survival.
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[Ru]-Catalyzed Olefin Metathesis and Ethenolysis for the Synthesis and Recycling of Bio-Based Polycarbonates and Polycyanurates

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Polym. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4PY00940A, Paper
Dana M. Pinson, Francesca D. Eckstrom, Gregory S. Ostrom, K. Randall McClain, Lawrence Baldwin, Benjamin Grant Harvey
Eugenol, an abundant, naturally occurring phenolic compound, was converted into a thermoplastic polycarbonate by olefin metathesis followed by interfacial polymerization with triphosghene. This resulted in polymers with Mn ranging from...
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Expanding the poly(2-oxazoline) block copolymer possibilities through nitroxide mediated polymerisation

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Polym. Chem., 2024, 15,4416-4424
DOI: 10.1039/D4PY00887A, Paper
Open Access
James Lefley, C. Remzi Becer
In recent years, poly(2-oxazoline)s (POx) have become a sought-after biomaterial to replace PEG. Endcapping POx with BlocBuilder MA enables copolymerization with a variety of vinylic monomers, producing unique POx-vinyl block copolymer combinations.
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A novel amine-first strategy suitable for preparing both functional and engineering bio-polyamides: furfurylamine as the sole furan source for bisfuranic diamine/diacid monomers

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Polym. Chem., 2024, 15,4433-4446
DOI: 10.1039/D4PY00567H, Paper
Hong-Hui Shu, Yun Liu, Sheng-Li Han, Xiu-Qin Fang, Chang Wang, Cheng-Mei Liu
Biomass-based polyamides (bioPAs) are renewable materials that are viable alternatives to petroleum-based polyamides in the engineering field.
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Polyols from cashew nut shell liquid (CNSL): corner-stone building blocks for cutting-edge bio-based additives and polymers

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Polym. Chem., 2024, 15,4375-4415
DOI: 10.1039/D4PY00851K, Review Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Emilie Rojtman, Maxinne Denis, Camille Sirvent, Vincent Lapinte, Sylvain Caillol, Benoit Briou
From CNSL to polyols.
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Effect of interfacial local conformation of polymer chains on adhesion strength

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Polym. Chem., 2024, 15,4425-4432
DOI: 10.1039/D4PY00951G, Paper
Open Access
Tatsuki Abe, Satoru Yamamoto, Keiji Tanaka
The aggregation states of polymer chains at solid interfaces are strongly related to their adhesion properties.
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Bio-photo-Fenton-like RAFT polymerization under blue light

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Polym. Chem., 2024, 15,4447-4453
DOI: 10.1039/D4PY00593G, Paper
James L. Grace, Greg G. Qiao
An oxygen-tolerant bio-photo-Fenton RAFT polymerization method that possesses good livingness and temporal control.
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Simple oxime functionalized fluorene polymers for organic solar cells

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Polym. Chem., 2024, 15,4474-4481
DOI: 10.1039/D4PY00919C, Paper
Open Access
Abdullah Adewale Adeoba, Xiangyu Shen, Fuzhen Bi, Jianan Niu, Mingxin Sun, Shuguang Wen, Xichang Bao
A novel oxime-functionalized fluorene is used as an acceptor unit with a BDT donor in conjugated D–A polymers. Organic solar cell devices made with a Y6 non-fullerene acceptor give a power conversion efficiency of 10.71%.
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Rapid formation of antifouling coatings via cation–π interactions

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Polym. Chem., 2024, 15,4465-4473
DOI: 10.1039/D4PY00859F, Paper
Zhicheng Huang, Kaijie Zhao, Shaoyin Wei, Yingxin Hao, Qina Yu, Jingcheng Hao, Jiwei Cui, Peiyu Zhang
Antifouling coatings can be quickly prepared on various substrates through cation–π interactions between copolymers and MPNs. In addition, block copolymers exhibited superior antifouling capabilities compared to random copolymers.
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Acid-labile and non-degradable cross-linked star polymer model networks by aqueous polymerization for in situ encapsulation and release

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Polym. Chem., 2024, 15,4454-4464
DOI: 10.1039/D3PY00677H, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Gavin Irvine, Stuart Herron, Daniel W. Lester, Efrosyni Themistou
Aqueous RAFT polymerization for the preparation of degradable and non-degradable cross-linked star polymer model networks, in situ dye encapsulation and release.
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Enhanced mechanical properties of acrylate and 5-vinyl-2-norbornene-based ethylene terpolymers: rational design and synthesis using remotely modulated phosphine–sulfonate palladium complexes

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Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY00722K, Paper
Yong-Qing Li, Gui-Ping Cao, Yu-Cai Cao
From a practical perspective, it is important to maintain or increase the mechanical properties of functional ethylene copolymers to those of nonpolar polyethylene (PE).
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Increase of spatiotemporal resolution and reproducible layer thicknesses in cationic vat photopolymerization

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Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY01046A, Paper
Emile Goldbach, Xavier Allonas, Christian Ley, Lucile Halbardier, Céline Croutxé-Barghorn
Pyridines allow a good control of the cationic photopolymerization of epoxies.
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Solvent quality shape control in continuous flow block copolymer self-assembly

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Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY01174K, Communication
Axel-Laurenz Buckinx, Lakshani J. Weerarathna, Anna Sokolova, Tanja Junkers
The influence of solvent quality on block copolymer self assembly is studied in detail using SANS online monitoring.
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Bisbenzothieno[b]-fused BODIPYs in panchromatic photoinitiating for the free radical and cationic photopolymerization and application in 3D printing

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Polym. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4PY00926F, Paper
Yangyang Xu, Wenlong Tang, Hui Deng, Jianjun Zhang, Zhongquan Zhu, Changjiang Yu, Haiguang Zhu, Ke Sun, Jiazhu Li, Jacques Lalevée
Abstract: Polymerization reactions induced by lights occupy an increasing share in the area of polymer synthesis; however, the effective photopolymerization under visible light emitting diodes (LEDs) rather than UV still...
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Constructing self-healing flexible supercapacitors via graphene oxide synergistic multi-network polymer-supramolecular hydrogel electrolyte

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Polym. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4PY00809J, Paper
Xiaoyan Li, Xiuting Shi, Anbai Li, Mengmeng Xun, Shuzhen Cui, Kanjun Sun, Hui Peng, Guofu Ma, Yuxi Xu
Hydrogels are increasing interest and have great potential as electrolytes for flexible supercapacitors (FSCs) in wearable and portable electronic devices. However, the hydrogel electrolytes for practical applications are hampered by...
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Fully Bio-Based Acetal Diepoxy Monomers: High Modulus, Good Thermal Stability and Readily Degradability

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Polym. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4PY01038H, Paper
Zidie Song, Li Liu, Pengbo Zhang, Kangle Xue, Zibo Hua, Tao You, Yiqi Wu, Hong Cui, Zhen Hu, Yudong Huang
Degradable epoxy resins are designed to address the environmental pollution caused by traditional epoxy resins. However, incorporating the degradability of dynamic covalent bonds in the design of degradable resins often...
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Star Copolymers with Tunable Clusteroluminescence

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Polym. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4PY01198H, Communication
Zixuan Zhou, Xiang Chen, Yang Wang, Ting Li, Xuhui Zhang, Bihua Xia, Shibo Wang, Weifu Dong, Jinliang Qiao
Clusteroluminescence (CL) has recently drawn more attention due to its unique photophysical behaviors that differ from traditional conjugated luminogens. However, the design of red emission from such systems is still...
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Reversible aminolysis: a new concept for postpolymerization modification

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Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY00827H, Communication
Koki Kasai, Hideki Amii, Ryohei Kakuchi
Efficient yet reversible aminolysis postpolymerization modification reactions.
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Alternating Radical Copolymerization of α-Styrylboronic Acid Pinacol Ester with Electron-Deficient Olefins

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Polym. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4PY00976B, Paper
Yiyang Xiao, Zepeng Zhang, Yan Xu, Jianbo Wang
Here, α-styryl boronic acid pinacol ester (StBpin) has been found to undergo alternating radical copolymerization with electron-deficient olefin comonomers, including n-butyl acrylate, N,N-dimethylacrylamide, acrylonitrile, and N-ethylmaleimide. Compared with styrene, which...
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Mesomorphic and photochromic luminescent behaviour of side-chain liquid crystalline polymers containing di-substituted cyanostilbene groups with the different number of alkyl tail chain

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Polym. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4PY00889H, Paper
Juan Luo, Juan Wang, Junde Zhang, Huizi Cao, Xiaofang Chen
In this work, side-chain luminescent liquid crystalline polymers (SCLLCPs) that contain di-substituted cyanostilbene (CS) groups with the different substituted number of terminal alkyl chain, which are PNB-Z-4, PNB-Z-34, and PNB-Z-345,...
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Diversified synthesis of poly(sulfonyl isourea)s by multicomponent polymerizations of isocyanides, sulfonyl azides, and alcohols/phenols

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Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY00953C, Paper
Dongyang Fan, Fenggang Chen, Dong Wang, Ting Han, Ben Zhong Tang
A novel multicomponent polymerization strategy using diverse monomer combinations of isocyanides, sulfonyl azides, and alcohols/phenols was developed to synthesize thermally and morphologically stable and heteroatom-rich poly(sulfonyl isourea)s.
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Protic poly(diallylmethylammonium) poly(ionic liquid)s proton exchange membranes with low fluorine content

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Polym. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4PY01099J, Paper
Yuliana Pairetti, Antonela Gallastegui, Zaneta Wojnarowska, Marian Paluch, Ilaria Aziz, Nerea Casado, Luke Austin O'Dell, Maria Forsyth, David Mecerreyes
Proton exchange membranes (PEM) are s key component in electrolyzers and fuel cells for green hydrogen technologies. One important coming issue in these technologies is the need of reducing the...
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Sequence-defined structural transitions by calcium-responsive proteins

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Polym. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4PY00907J, Paper
Marina Chang, Winnie Huang, Gatha Shambharkar, Kenny Hernandez, Danielle Jamie Mai
Biopolymer sequences dictate their functions, and protein-based polymers are a promising platform to establish sequence–function relationships for novel biopolymers. To efficiently explore vast sequence spaces of natural proteins, sequence repetition...
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Reducing Agent Triggered Templated Synthesis of Dynamic Covalent Poly(disulfide)s Nanonetwork: Remarkable Tuning in Noncovalent Encapsulation Stabilities and Cargo Release

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Polym. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4PY01109K, Paper
Arun Mondal, S. K. Sujauddin, Dhiman Mondal, Soumya Kolay, Shuvajyoti Sarkar, Mijanur Rahaman Molla
Here, we demonstrated a new methodology for the templated synthesis of cross-linked poly(disulfide)s based dynamic covalent nanonetwork as highly stable potential delivery vehicle in the field of chemotherapeutic applications. The...
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Axial-phenyl Constrained Bis(imino)acenaphthene-Nickel Precatalysts Enhancing Ethylene Polymerization

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Polym. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4PY01110D, Paper
Quanchao Wang, Qiuyue Zhang, Yizhou Wang, Song Zou, Yanping Ma, Tongling Liang, Wen Hua Sun
To enhance the performance of the bis(imino)acenaphthene-nickel precatalyst, the axial phenyl group is introduced on the acenaphthenyl backbone forming five analogues, bis(aryl)imino-5-phenylacenaphthene nickel bromides (aryl: 2,6-dimethylphenyl, Ni1; 2,6-diethylphenyl, Ni2; 2,6-diisopropylphenyl,...
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Single-ion quasi-solid-state electrolytes based on sulfonimide-functionalized covalent organic framework

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Polym. Chem., 2024, 15,4529-4541
DOI: 10.1039/D4PY00352G, Paper
Haomin Wu, Wencan Ma, Xin Huang, Yifeng Cai, Junheng Li, Qiaobo Liao, Kai Xi, Qiuhong Zhang, Xudong Jia
The COF based SIQSSEs with a high ionic conductivity of 4.3 × 10−4 S cm−1, a high LTN of 0.90. A high initial capacity (150.3 mA h g−1), high retention (99% after 100 cycles), good cycling stability and rate performance in Li/LFP battery test.
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Strategies to prepare polymers with cleavable linkages releasing active agents in acidic media

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Polym. Chem., 2024, 15,4491-4518
DOI: 10.1039/D4PY00854E, Review Article
Nachnicha Kongkatigumjorn, Daniel Crespy
Hydrolysis stability of labile linkages in polymers can be tuned through careful selection of substituent groups near these linkages to selectively release active substances.
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Catalytic copolymerization of carbon dioxide and cyclohexene oxide by a trinuclear cyclohexane-bridged tetradentate Schiff base chromium complex

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Polym. Chem., 2024, 15,4519-4528
DOI: 10.1039/D4PY00956H, Paper
Jie Huang, Boxiong Shen
The development of catalytic systems is a central area of research in carbon dioxide (CO2) and epoxy copolymerization.
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Backbone editing of oxidized polyethylene: insertion of oxygen and nitrogen atoms via hydroxyalkyl azide-mediated rearrangements

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Polym. Chem., 2024, 15,4554-4561
DOI: 10.1039/D4PY00973H, Paper
Andrew J. King, Ryan P. Sherrier, Jeffrey Aubé, Aleksandr V. Zhukhovitskiy
Hydroxyalkyl azide-mediated rearrangement modularly inserts heteroatoms and pendent functionality into oxidized polyethylene.
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Acrylate–methacrylate radical copolymerization kinetics of sparingly water-soluble monomers in polar and nonpolar solvents

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Polym. Chem., 2024, 15,4542-4553
DOI: 10.1039/D4PY01015A, Paper
Noushin Rajabalinia, Fatemeh Salarhosseini, Robin A. Hutchinson
The influence of solvent on radical copolymerization kinetics is studied to provide insight to emulsion polymerization systems.
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Increasingly threaded polypseudorotaxanes with reduced enthalpies of melting

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Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY01006J, Communication
He Sun, Sean R. Gitter, Kiana A. Treaster, Joshua D. Marquez, Brent S. Sumerlin, Kenneth B. Wagener, Austin M. Evans
We used acyclic diene metathesis (ADMET) chemistry to prepare variably threaded pseudopolyrotaxanes. We find that the melting enthalpy decreases as the number density of macrocycles is increased.
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Synthesis of degradable polyester with high molecular weight and excellent mechanical properties through copolymerization modification of poly(butylene succinate)

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Polym. Chem., 2024, 15,4570-4579
DOI: 10.1039/D4PY01050G, Paper
Hongji Wang, Xiaojun Ma, Hanyu Yao, Haohao Chang, Yin Lv, Zhong Wei
The degradable copolymer of polybutylene succinate (PBS) modified with tricyclodecane dimethanol (TCD) presented significantly enhanced tensile strength and elongation at break.
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Interpretable machining learning assisted insights into bifunctional squaramide catalyzed ring-opening polymerization of lactide

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Polym. Chem., 2024, 15,4562-4569
DOI: 10.1039/D4PY00866A, Paper
Shaoju Cao, Mengting Hong, Junyuan Hu, Zhenjiang Li, Jin Huang, Kai Guo
A bifunctional squaramide catalyst with tunable activity enables the controlled ring-opening polymerization of lactide. Combining bench experiments and interpretable machine learning offer insights into catalyst structures, promoting catalyst design.
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Polymer chemistry informed neural networks (PCINNs) for data-driven modelling of polymerization processes

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Polym. Chem., 2024, 15,4580-4590
DOI: 10.1039/D4PY00995A, Paper
Nicholas Ballard, Jon Larrañaga, Kiarash Farajzadehahary, José M. Asua
A method for training neural networks to predict the outcome of polymerization processes is described that incorporates fundamental chemical knowledge. This permits generation of data-driven predictive models with limited datasets.
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Aromatic vs. aliphatic linkers: impact on dye loading and stability in oligoglycerol-derived dendronized polymersomes

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Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY01028K, Paper
Raj Kumar Roy, Trisha Samanta, Supriyo Saha, Aparna Ramesh, Naznin Ara Begum, Goutam Ghosh, Pradip Dey
We report the synthesis and self-assembly of oligoglycerol-based dendronized polythiourethanes, which consist of an aliphatic or aromatic linker. Using FRET, the effect of the linker was understood and the dye exchange mechanism was unravelled.
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Composition-dependent emission colors for biomass-based main-chain luminescent liquid crystalline copolyesters with excellent tensile properties

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Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY00946K, Paper
Wei Wang, Jing Wang, Wenting Li, Guangjian Liao, Yuan Qiu, Guochuan Yin, Yonggui Liao, Xiaolin Xie
The emission colors of high-performance MCLCPs with biomass-based bifuran and AIE-active cyanostilbene units can be tuned by the composition from blue to cyan, and then to green. Upon UV exposure, the thin film can undergo an emission color change.
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Structure, humidity adaptivity, and elasticity of hydrogen-bonded complexes formed by self-assembly of a triblock copolymer and a homopolymer

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Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY00959B, Paper
Weijie Wang, Hanxin Jian, Hao Huang, Fengfeng Feng, Qingye Meng, Yuli Li, Gang Chen, Shuguang Yang
The tri-block copolymer polystyrene-b-poly(ethylene oxide)-b-polystyrene (SES) and the homopolymer poly(acrylic acid) (PAA) were applied to fabricate elastomers with multi-hierarchical architectures.
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A highly active zinc-based catalyst system for lactide homo- and copolymerization under industrially relevant conditions

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Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY01034E, Paper
Zisheng Zhang, Yi Zhou, Shuang Liu, Baixue Li, Rui Qu, Yanan Gu, Hongyi Suo, Yusheng Qin
A guanidine-based zinc catalyst with a rigid backbone exhibited excellent activity in the ring-opening polymerization and copolymerization of lactide.
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Polyurethane foam acidolysis with carboxylic acids: acid structure dictates N-containing product distribution and kinetics

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Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY01116C, Paper
Zach Westman, Manasa Perikala, Xinyi Wu, Kelsey Richardson, Christopher S. Letko, Vojtech Vlcek, Phillip Christopher, Mahdi M. Abu-Omar
Spectroscopic characterization and kinetic studies elucidate the influence of dicarboxylic acid (DCA) structure on the formation of amide/imide products during chemical recycling of a flexible polyurethane foam (PUF).
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Biodegradable pressure sensors with high sensitivity and wide detection range via a piezoresistive/capacitive dual response

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Polym. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4PY00675E, Paper
Xiaowan Luan, Yanlong Zhu, Yankun Chen, Xiaoxia Gu, Qian Xu, Guoming Liu, Xiu-Qin Zhang, Minxuan Kuang
Eco-friendly strategies are strongly needed to address the issue of e-waste pollution. Green electronics constructed from degradable polymers have attracted widespread attention. In this paper, a piezoresistive/capacitive dual-response pressure sensor...
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Eugenol-based polyester and its bamboo fiber composite with enhanced mechanical and anti-ultraviolet properties

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Polym. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4PY00998C, Paper
Meiran Xie, Qiubo Wang, Xinyu Hu, Shuyao Wang, Ruyi Sun, Xiaojuan Liao
Eugenol (UG) is a sustainable allyl-substituted guaiacol that easily becomes the monomers for acyclic diene metathesis (ADMET) polymerization. Nevertheless, the ADMET polymers usually have a moderate molecular weight and poor...
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Dibenzobarrelene-Derived Pd-NHCs: Efficient Precatalysts for the Suzuki-Miyaura Polycondensations of Dichloroarenes Monomers

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Polym. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4PY01026D, Paper
Yuman Guo, Hao Wu, Meng-Jiao Zhang, Feng-Shou Liu
The Pd-catalyzed Suzuki-Miyaura polycondensations (SMPs) has emerged as a powerful method for synthesizing conjugated polymers (CPs). While numerous reports have utilized dibromoarene and diiodoarene derivatives as monomers, research on the...
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RSC - Photochem. Photobiol. Sci. latest articles

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The efficient triplet states formation of Se-modified PDI dimers and tetramers in solvents

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Phys. Chem. Chem. Phys., 2024, 26,27325-27331
DOI: 10.1039/D4CP00954A, Paper
Feijun Huang, Wenli Su, Yubo Yang, Hang Wang, Zhishan Bo, Pengfei Jing, Wenkai Zhang
The Se-modified PDI oligomers experience triplet states formation in the solvents, but there are differences in the efficiency of triplet state generation due to variations in molecular structure.
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Behind the glow: unveiling the nature of NanoLuc reactants and products

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Phys. Chem. Chem. Phys., 2024, 26,27447-27458
DOI: 10.1039/D4CP02551B, Paper
Alessandro Bonardi, Michele Turelli, Giorgio Moro, Claudio Greco, Ugo Cosentino, Carlo Adamo
Among all the possible candidates involved in the NanoLuc bioluminiescnce, this computational analysis identifies the enol tautomer of furimazine as a probable reactive species and the zwitterionic forms of furimamide as the luminescent product.
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In silico validation of allosteric inhibitors targeting Zika virus NS2B–NS3 protease

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Phys. Chem. Chem. Phys., 2024, 26,27684-27693
DOI: 10.1039/D4CP02867H, Paper
Yeng-Tseng Wang, Yuan-Chin Hsieh, Tin-Yu Wu
The Zika virus (ZIKV), a member of the Flaviviridae family, poses a major threat to human health because of the lack of effective antiviral drugs.
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