science and technology

Sugar additive with a halogen group enabling a highly reversible and dendrite-free Zn anode

React. Chem. Eng., 2024, Advance Article
DOI: 10.1039/D4RE00366G, Paper
Weihao Xu, Xipo Ma, Pengbo Lyu, Zhenren Gao, Chunshuang Yan, Chade Lv
Sucralose, a weakly polar sugar electrolyte additive containing halogen elements, enables a highly reversible and dendrite-free Zn anode.
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science and technology

Ammonia Decomposition over Low-loading Ruthenium Catalyst Achieved through “Adiabatic” Plasma Reactor

React. Chem. Eng., 2024, Accepted Manuscript
DOI: 10.1039/D4RE00509K, Paper
Minhazur Rahman Shawon, Chinwendu Umeojiakor, Anthony Griffin, Jeffrey S. Aguinaga, Jiachun Wu, Derek Patton, Zhe Qiang, Hossein Toghiani, Yizhi Xiang
Electrified catalytic processes for ammonia (NH3) decomposition have been considered as essential technologies for distributed COx-free hydrogen production. Here we show that efficient NH3 decomposition can be achieved over low-loading...
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science and technology

Nickel foam supported biochar doped Ni–Mo bimetallic oxide for supercapacitor application

React. Chem. Eng., 2024, Advance Article
DOI: 10.1039/D4RE00471J, Paper
Zhongxin Jin, Kaijia Hu, Feng Lin, Siqi Liu, Ruining Gu, Wei Zhang, Siyu Liu, Caiying Li, Hongyang Liao, Xinping Cai, Haijun Pang, Chunjing Zhang, Huiyuan Ma
A novel C-MoO3-NiO2/NF electrode derived from polyoxometalate and rice is obtained and provides a new strategy for the development of high-performance supercapacitors.
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science and technology

Unexpected reversal of reactivity in organic functionalities when immobilized together in a metal–organic framework (MOF)

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D3ME00185G, Communication
Pricilla Matseketsa, Donovan Mafukidze, Lahiru Pothupitiya, Udo P. Otuonye, Yasemin Çimen Mutlu, Boris B. Averkiev, Tendai Gadzikwa
The reactivity of hydroxyl-bearing MOF linkers with isocyanates is influenced by their mutual confinement with amine-bearing linkers within the pores of the framework.
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science and technology

Application of automated network generation for retrosynthetic planning of potential corrosion inhibitors

Mol. Syst. Des. Eng., 2024, 9,352-371
DOI: 10.1039/D3ME00162H, Paper
Lauren M. Lopez, Quan Zhang, Orion Dollar, Jim Pfaendtner, Brent H. Shanks, Linda J. Broadbelt
This work uses automated network generation, specifically the Python-based tool Pickaxe, for retrosynthetic planning towards making potential corrosion inhibitors from a pool of candidate bioprivileged molecules.
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science and technology

On the use of modelling antagonistic enzymes to aid in temporal programming of pH and PVA–borate gelation

Mol. Syst. Des. Eng., 2024, 9,372-381
DOI: 10.1039/D3ME00138E, Paper
Open Access
Nadeem Bashir, Anna S. Leathard, Madeline McHugh, Imogen Hoffman, Fahima Shaon, Jorge A. Belgodere, Annette F. Taylor, John A. Pojman
A model was developed to help predict how enzymes can be used to temporally control the gelation of polyvinyl alcohol (PVA) with borate.
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science and technology

Tight-binding model describes frontier orbitals of non-fullerene acceptors

Mol. Syst. Des. Eng., 2024, 9,382-398
DOI: 10.1039/D3ME00195D, Paper
Vishal Jindal, Michael J. Janik, Scott T. Milner
HOMO and LUMO of conjugated molecules as superposition of HOMO and LUMO of individual moieties.
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science and technology

Mesoporous degradable chitosan-based monoliths: synthesis and applications toward water purification

Mol. Syst. Des. Eng., 2024, 9,399-408
DOI: 10.1039/D3ME00180F, Paper
Jyoti Devi Katiyar, Subrata Chattopadhyay
A synthetic strategy is presented for the preparation of degradable chitosan based functional porous polymer monoliths with tunable surface area, which are capable to efficiently remove multiple pollutants from water.
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science and technology

Designing biphenanthridine-based singlet fission materials using computational chemistry

Mol. Syst. Des. Eng., 2024, 9,423-435
DOI: 10.1039/D3ME00181D, Paper
Keighlynn A. Veilleux, Georg Schreckenbach, David E. Herbert
A systematic search for novel singlet fission materials based on the recently synthesized 6,6'-biphenanthridine (biphe) framework is reported, utilizing a straightforward computational approach.
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science and technology

Two-state nanocomposite based on symmetric diblock copolymer and planar nanoparticles: mesoscopic simulation

Mol. Syst. Des. Eng., 2024, 9,409-422
DOI: 10.1039/D3ME00176H, Paper
Maxim Malyshev, Daria Guseva, Pavel Komarov
A method for controlling the distribution and orientation of 2D fillers in the copolymer matrix is presented.
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science and technology

3-Perfluoroalkylated fluorescent coumarin dyes: rational molecular design and photophysical properties

Mol. Syst. Des. Eng., 2024, 9,332-344
DOI: 10.1039/D4ME00006D, Paper
Ayano Ikemura, Yukiko Karuo, Yuki Uehashi, Tomohiro Agou, Masahiro Ebihara, Yasuhiro Kubota, Toshiyasu Inuzuka, Masaaki Omote, Kazumasa Funabiki
The photochemical properties of a coumarin derivative with a promising electron-withdrawing fluoroalkyl group at the 3-position in solution and in the crystal were investigated in detail.
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science and technology

Augmentation of inductive effects through short range intramolecular hydrogen bonds for the improvement of cooperativity of trimeric rosettes

Mol. Syst. Des. Eng., 2024, 9,345-351
DOI: 10.1039/D4ME00008K, Paper
Andre Nicolai Petelski, Tamara Bundrea, Nélida María Peruchena
Three key design elements improve the binding strength of trimeric rosettes: the direction of hydrogen bonds, the addition of groups with inductive effects, and the presence of ambifunctional intramolecular hydrogen bonds between the substituents.
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science and technology

Effect of computationally designed fragment-based analogs on the RBD–ACE2 complex of the SARS-CoV-2 P.1 variant

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D3ME00193H, Paper
Surabhi Lata, Mohd. Akif
Modulation of the RBD–ACE2 complex formation and perturbation in their interface by the designed analogs.
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science and technology

Engineering the interaction of short antimicrobial peptides with bacterial barriers

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D4ME00021H, Minireview
Open Access
Costanza Montis, Elisa Marelli, Francesco Valle, Francesca Baldelli Bombelli, Claudia Pigliacelli
Designing short antimicrobial peptides and tuning their interaction with bacterial barriers.
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science and technology

The fabrication of the photothermal antibacterial platform for bacterial infectious skin wound healing: A review

Mol. Syst. Des. Eng., 2024, Accepted Manuscript
DOI: 10.1039/D4ME00010B, Review Article
Mei Han, Wenjing Sun, Yi Chen, Hongbin Li
Antibiotics are currently the main strategy to treat bacterial infections, but they can cause bacterial resistance, and it is urgent to solve this problem. The emergence of photothermal therapy provides...
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science and technology

Tuning the photophysical properties of ESIPT active unsymmetrical azine dyes by the change in the substituent and solvent: TD-PBE0 and TD-CAM-B3LYP studies

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D4ME00039K, Paper
Hossein Roohi, Tahereh Pouryahya
The photophysical properties of the designed ESIPT active as well as donor–acceptor structured unsymmetrical azine dyes L1L5 were investigated at PBE0/6-31++G(d,p) and CAM-B3LYP/6-31++G(d,p) levels of theory in the gas phase and solvent media.
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science and technology

A molecular-design approach for selective sulfate separation from competitive acidic and alkaline aqueous media

Mol. Syst. Des. Eng., 2024, Accepted Manuscript
DOI: 10.1039/D4ME00031E, Review Article
Arghya Basu, Sandeep Kumar Dey
Selective and efficient removal of sulfate from aqueous solution having a high concentration of other competing ions is an important aspect of separation science technology and has attracted considerable attention...
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science and technology

Design and engineering of an artificial disulfide bond in human cytochrome c to regulate the protein structure and function

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D3ME00196B, Paper
Yan-Yan Li, Yu Feng, Lu Yu, Shuang-Shuang Long, Shu-Qin Gao, Ying-Wu Lin
An artificial disulfide bond was rationally constructed in human cytochrome c (hCyt c) via double mutations (A51C/G77C), which weakened the coordination of Met80 to the heme iron and enhanced the peroxidase activity of hCyt c.
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science and technology

Hard carbon derived from Physalis alkekengi L. husks as a stable anode for sodium-ion batteries

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D4ME00007B, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Liying Liu, Henry R. Tinker, Yusheng Wu, Jiaqi Lv, Laishi Li, Yingjiao Fang, Yuhan Wu, Yang Xu
Physalis alkekengi L. husk-derived hard carbon is firstly investigated as the anode of sodium-ion batteries and demonstrates the great possibility of practical application.
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science and technology

Biobased copoly(acetal-triazole)s with tunable degradable properties

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D4ME00005F, Paper
Joseph C. Daniels, Guery Saenz, Colleen N. Scott
Enhanced degradation of acetal-containing polymers in environmental conditions.
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science and technology

DNA nanostar structures with tunable auxetic properties

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D3ME00202K, Paper
Open Access
Yancheng Du, Ruixin Li, Anirudh S. Madhvacharyula, Alexander A. Swett, Jong Hyun Choi
A nanoscale metastructure with tunable auxetic properties is constructed with DNA origami. This DNA nanostar structure can reconfigure in two orientations that can lead to distinct negative Poisson's ratios.
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science and technology

‘Can I Use…’, but for ARIA!

Three years ago we announced our work on the ARIA-AT program to develop an interoperability testing system for assistive technologies, starting with screen readers. Last year we completed a redesign of the ARIA Practices Guide (APG), which web developers use for guidance on making accessible websites and apps. We’ve been hard at work along the […]




science and technology

Four-Day Work Week

At Bocoup we shifted to a four-day work week at the start of 2023, and so far we’re loving it. We wanted to share the history of the labor movement that got us here, and how we’ve adjusted as a company to our new 32-hour weeks. The roots of the modern 40-hour work week can […]




science and technology

Interop 2024 Call For Proposals

The Web Platform Test (WPT) Interop 2024 call for proposals is launching today! Read more about the Interop Project and join us in moving the web toward a more interoperable future. Interop 2023 2023 is our third year as part of the incredible Web Platform Test (WPT) Interop team, a unified effort by Apple, Bocoup, […]




science and technology

Co-op Series Part II: Getting Started

We kicked off this series by announcing our decision to pursue a worker-owned cooperative model. In this and subsequent posts, we will be providing updates and learnings as we progress. Last fall, after nearly two years of research and discussion, we made our first major step toward cooperatizing: Bocoup is now a member of The […]




science and technology

ARIA-AT Public Data Management Page

Over the last few months, we’ve been making substantial improvements to the ARIA-AT app, from backend database work to performance improvements, to making the app generally nicer to use. One of these improvements is the ability to view the Data Management Page without being logged in. The Data Management page allows visitors to view the […]




science and technology

Year in Review 2023

Our 2023 Last year, we continued our efforts to help build a more just and accessible web and partnered with some incredible organizations and people to help with that goal. We had our ups and downs, but continued our journey to worker ownership and grew our team. We’re excited to see what 2024 has in […]




science and technology

Interop 2024 Launch

Intro 2024 marks three years of working with our partners on bolstering interoperability on the web. This year, we’ve identified 17 focus areas dedicated to enhancing interoperability. Improving interoperability is not just about convenience; it’s a matter of accessibility and fairness, ensuring that simplifying web creation and navigation becomes a victory for all. The goal […]




science and technology

ARIA Automation Launch

Automation is likely never going to go out of style. As a people, we’re constantly looking for ways to automate our lives and work in order to make the systems we rely on more efficient and reliable, and the ARIA-AT app is no different. We’ve added automation to the ARIA-AT App allowing test administrators to […]




science and technology

Announcing updates to p5.js

A fresh upgrade to p5.js We’re excited to announce our work with p5.js to set the tech stack and rebuild their incredible website, supported by The Processing Foundation. The Processing Foundation is a rad organization that has helped folks in the visual arts improve their software literacy for over a decade. p5.js is an open-source […]




science and technology

Free Prototype Program

Bocoup is trying something new! We’re launching an opportunity to build a free prototype for you or your organization. We want to ensure that funding is not a barrier to entry to get new ideas out into the world, and we believe prototypes can open doors. Application Information Application link: https://freeprototype.bocoup.com Application deadline: Rolling until […]




science and technology

Influence of polyol impurities on the transesterification kinetics, molecular structures and properties of isosorbide polycarbonate

Polym. Chem., 2024, 15,4204-4220
DOI: 10.1039/D4PY00840E, Paper
Mingfa Guo, Yaning Wang, Zhenguang Li, Jielin Xu, Qian Chen, Jing Wu, Huaping Wang
A so-called “reverse-addition” model protocol based on two kinds of polyol impurities (glycerol and 2-deoxy-D-ribose) was established to systematically demonstrate their influence on the polymerization and properties of PIC.
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science and technology

Polymerization of isoprene and butadiene with unparalleled stereoselectivity catalysed by rare-earth metal cationic species bearing a novel tridentate ligand

Polym. Chem., 2024, 15,4255-4263
DOI: 10.1039/D4PY00781F, Paper
Xiuling Wang, Yang Wang, Zhonglei Qin, Liying Shen, Xiaochao Shi
Phenylthiol-functionalized rare-earth metal cationic species showed unparalleled stereoselectivity in the polymerization of isoprene and butadiene to respectively produce cis-1,4-polyisoprene and trans-1,4-polybutadiene.
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science and technology

The synthesis of tetraarylethylene-based conjugated polymers for the application of fluorescence sensing towards nitroaromatics

Polym. Chem., 2024, 15,4221-4230
DOI: 10.1039/D4PY00821A, Paper
Rentuya Wu, Xiaosong Sun, Wenyue Dong, Yanwei Li, Qian Duan, Teng Fei
Two tetraarylethylene-based conjugated polymers were synthesized and they exhibit high sensitivity and selectivity towards 2,4,6-trinitrophenol sensing.
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science and technology

A facile and versatile platform for preparing uniform π-conjugated nanofibers with controlled length and varying shells

Polym. Chem., 2024, 15,4231-4243
DOI: 10.1039/D4PY00979G, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Bo Xiang, Hongluo Wu, Rang Chen, Xiaoyu Huang, Guolin Lu, Chun Feng
A versatile and facile platform is developed for the generation of uniform π-conjugated nanofibers with controlled length and varying shells by the combination of pentafluorophenyl ester chemistry and a self-seeding strategy.
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science and technology

Mechanical properties and molecular adhesion exhibited by inorganic–organic composite elastomers

Polym. Chem., 2024, 15,4196-4203
DOI: 10.1039/D4PY00879K, Paper
Naoki Yamashita, Ryohei Ikura, Kenji Yamaoka, Nobu Kato, Masanao Kamei, Kentaro Ogura, Minoru Igarashi, Hideo Nakagawa, Yoshinori Takashima
Organic–inorganic composite elastomers with reversible cross-links formed by β-cyclodextrin and adamantane (Ad) were prepared. Excess Ad units improve the mixability of polydimethylsiloxane and poly(ethyl acrylate) to increase the healing ratio.
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science and technology

Versatile poly(N-vinylcaprolactam)-grafted-hydroxypropyl cellulose polymers with tailored thermo- and pH-responsive properties via sustainable organocatalyzed atom transfer radical polymerization

Polym. Chem., 2024, 15,4244-4254
DOI: 10.1039/D4PY00931B, Paper
Muhammad Asif Iqbal, Asif Mahmood, Waheed Al-Masry, Chan Ho Park, Sadaf Ul Hassan, Toheed Akhter
This study explores the synthesis of dual pH- and thermo-responsive poly(N-vinylcaprolactam)-grafted-hydroxypropyl cellulose (PNVCL-g-HPC) polymers via visible-light-driven, metal-free organocatalyzed atom transfer radical polymerization (O-ATRP).
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science and technology

Heterogenous catalysis for oxygen tolerant photoredox atom transfer radical polymerization and small-molecule dehalogenation

Polym. Chem., 2024, 15,4264-4280
DOI: 10.1039/D4PY00899E, Paper
Open Access
Kriti Kapil, Mingkang Sun, Ting-Chih Lin, Hironobu Murata, Grzegorz Szczepaniak, Khidong Kim, Stephen DiLuzio, Jaepil Jeong, Mitchell Baumer, Stefan Bernhard, Tomasz Kowalewski, Krzysztof Matyjaszewski
Heterogeneous photocatalysts (PCs) have garnered attention for their sustainability and cost-effectiveness.
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science and technology

Tetrazine-based inverse-electron-demand Diels–Alder reaction: a powerful tool for fabrication and functionalization of polymeric materials

Polym. Chem., 2024, 15,4173-4195
DOI: 10.1039/D4PY00912F, Review Article
Open Access
Mehmet Arslan, Aysun Degirmenci, Rana Sanyal, Amitav Sanyal
The IEDDA click reaction plays an important role in the fabrication and functionalization of polymeric materials.
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science and technology

Vinylene-linked fully conjugated porous organic polymers based on difluoroboron β-diketonate complexes for green and efficient photocatalysis

Polym. Chem., 2024, 15,4281-4287
DOI: 10.1039/D4PY00947A, Paper
Wenshuo Xu, Zehao Zhao, Yiqiong Liu, Dongxin Yang, Weitao Gong
Two distinct vinylene-linked fully conjugated POPs were achieved by reacting difluoroboron β-diketonate complexes with reactive methyl groups and a carbazole-bearing aldehyde.
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science and technology

Emerging trends in the chemistry of polymeric resists for extreme ultraviolet lithography

Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY00957F, Review Article
Jie Cen, Zhengyu Deng, Shiyong Liu
Patterning materials have advanced significantly to achieve high-resolution fabrication of integrated circuits for extreme ultraviolet (EUV) lithography. Emerging trends in the chemistry of polymeric resists for EUV lithography are summarized.
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science and technology

Materials designed to degrade: structure, properties, processing, and performance relationships in polyhydroxyalkanoate biopolymers

Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY00623B, Review Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Jessica N. Lalonde, Ghanshyam Pilania, Babetta L. Marrone
A materials tetrahedron framework is applied to PHA biopolymers to highlight design challenges and frame potential future research exploring structure, property, processing, and performance relationships.
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science and technology

Green perspective drives the renaissance of anionic diene polymerization

Polym. Chem., 2024, 15,4297-4311
DOI: 10.1039/D4PY00805G, Review Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Moritz Rauschenbach, Moritz Meier-Merziger, Holger Frey
Polymers based on 1,3-diene monomers play a pivotal role in many commercial elastomers and thermoplastic elastomers. This review summarizes the state of the art and recent developments in the living anionic polymerization of dienes.
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science and technology

Crystal structure of poly(trimethylene 2,5-furandicarboxylate) redux – a new model supported by computational spectroscopy

Polym. Chem., 2024, 15,4349-4363
DOI: 10.1039/D4PY00779D, Paper
Catarina F. Araújo, Simão V. Pandeirada, Inês M. Oliveira, Guilherme B. Rosa, Beatriz Agostinho, Armando J. D. Silvestre, Andreia F. Sousa, Svemir Rudić, Pedro D. Vaz, Mariela M. Nolasco, Paulo Ribeiro-Claro
The crystal structure of biobased poly(trimethylene 2,5-furandicarboxylate) is revisited following new evidence from vibrational spectroscopy and computational chemistry tools.
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science and technology

Lewis acid ionic liquid catalysed synthesis of bioderived surfactants from β-pinene

Polym. Chem., 2024, 15,4327-4338
DOI: 10.1039/D4PY00925H, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Philippa L. Jacob, Fabricio Machado, Graham A. Rance, Gary Walker, Vincenzo Taresco, Daniel J. Keddie, Steven M. Howdle
Earth abundant catalysis and more sustainable post-polymerisation functionalisation have been applied in the synthesis of β-pinene derived polymeric surfactants.
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science and technology

Synthesis of furan-based conjugated polymers with tunable bandgaps via direct C–H arylation of oligofurans

Polym. Chem., 2024, 15,4339-4348
DOI: 10.1039/D4PY00834K, Paper
Hui Guo, Dayong Jiang, Yufan Gu, Ruixin Wang, Luoyi Wang, Xu-Hui Jin
Using long oligofurans as synthetic building blocks has been found to enable the efficient synthesis of conjugated furan-based polymers through direct C–H arylation, which exhibit excellent antimicrobial activity.
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science and technology

Comment on “Limonene as a renewable unsaturated hydrocarbon solvent for living anionic polymerization of β-myrcene” by A. Dev, A. Rösler and H. Schlaad, Polym. Chem., 2021, 12, 3084

Polym. Chem., 2024, 15,4364-4365
DOI: 10.1039/D4PY00913D, Comment
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Akhil Dev, Alexander Rösler, Helmut Schlaad
Polymyrcenyllithium chains in DL-limonene solution are present as dimeric associates and not as single chains.
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science and technology

Scalable design of uniform oligourethanes for impact study of chain length, sequence and end groups on thermal properties

Polym. Chem., 2024, 15,4319-4326
DOI: 10.1039/D4PY01001A, Paper
Open Access
Jens Van Hoorde, Nezha Badi, Filip E. Du Prez
A bidirectional growth-based protocol is used for the synthesis of a series of sequence-defined oligourethanes in large scale (50 g). The effect of chain length, sequence and end group functionalities on the thermal properties is evaluated.
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science and technology

Self-healable, reprocessable and anti-flammable eugenol-derived covalent adaptable thermosets based on dynamic covalent boronic esters and thiol–ene click chemistry

Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY00684D, Paper
Haoxin Niu, Yu Li, Ping Zhang, Wenwen Guo, Xin Wang, Yuan Hu
Self-healable and reprocessable eugenol-derived covalent adaptable thermosets were fabricated via dynamic covalent boronic esters and thiol–ene click chemistry.
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science and technology

The CF3TMS adduct of anthraquinone as a monomer for making polymers with potential as separation membranes

Polym. Chem., 2024, 15,4312-4318
DOI: 10.1039/D4PY01002G, Communication
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Kim Jiayi Wu, John M. Tobin, Anli Ji, Yang Shi, Chunchun Ye, Gary S. Nichol, Alessio Fuoco, Mariagiulia Longo, Johannes C. Jansen, Neil B. McKeown
The CF3TMS adduct of anthraquinone reacts with diphenyl ether via a superacid-catalysed step-growth polymerisation to give a polymer (BTFMA-DPE) with promise for making gas separation membranes.
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