For strong polyelectrolyte brushes, the pH-responsive hydration and stiffness are dependent on brush thickness, and the pH-responsive adhesion and wettability are independent of brush thickness.
TmPred is a deep learning model that combines language models, GCNs, and Graphormer to predict melting temperatures of thermophilic proteins. It outperforms existing methods with improved RMSE, Pearson, and R² and shows strong generalization, offering an effective tool for thermophilic protein mining and engineering.
We developed a self-supervised learning framework that integrates a PST-transformer with physics-informed contrastive learning, enabling the automated extraction and clustering of polymer conformational evolution features. Based on conformation transition data generated from coarse-grained molecular dynamics simulations, the framework successfully identified five representative unfolding pathways of semiflexible polymer chains during heating.
The synergistic strategy that integrates molecular dynamics simulations and interpretable machine learning was used to program the assembly of block-copolymer and DNA-functionalized nanoparticles into stable colloidal molecules, achieving precise, high-yield assembly. SHAP analysis was used to identify key structural descriptors and clarifies mechanisms governing ordered coassembly.
Anton A. Yakimanskiy, Elena V. Zhukova, Anna V. Kashina, Elena L. Krasnopeeva, Ilya E. Kolesnikov, Artem V. Dmitriev, Sergey I. Pozin, Natalia V. Nekrasova, Alexei E. Alexandrov, Dmitry A. Lypenko, Tatiana G. Chulkova, Alexander V. Yakimansky
Simple and efficient method of Suzuki polycondensation catalyzed by oxygen-stable Diaminocarbene Palladium(II) complexes is proposed. Compared to the conventional Suzuki polycondensation catalyzed by Pd(0) phosphine complexes, much lower catalyst loading is required to prepare polymers with high molecular weights and improved photophysical characteristics.
An ultra-stable polymer-derived hard carbon anodes have been synergistically prepared via the intramolecular doping engineering and chemical presodiation. The presodiated hard carbons demonstrate the 93.6% capacity retention over 3000 cycles at 1.0 C owing to the thin, smooth and dense SEI film with rich NaF.
In this work, a novel rare-earth Y2Sn2O7 was successfully prepared, which is superior to traditional flame retardants. Y2Sn2O7 with catalysis and adsorption effect can significantly reduce the thermal and nonthermal hazards of PVC composites. In addition, Y2Sn2O7 can enhance the comprehensive performance of PVC materials, resulting in the revolutionization of PVC composites.
In this study, a simple method was adopted to synthesize the epoxy resin precursor based on cinnamic acid. The inorganic component was introduced into the epoxy resin system by chemically bonding the KH560-modified silica aerogel. Finally, the multifunctional epoxy resin coating with UV resistance, anti-fouling and superhydrophobic properties was prepared through curing and crosslinking with IPDA.
Introducing degradable Schiff base bonds into the epoxy network enables selective degradation and direct recycling. The resulting materials combine enhanced mechanical strength with excellent reusability, providing a sustainable route for high-value recovery of wind turbine blades and extended service life under harsh conditions.
It remains a challenge for developing active antibacterial materials. Here, a cationic QPS copolymer microsphere with nano-multiple humps (CPMs-nMHs) was successfully synthesized via emulsion polymerization and self-assembly. Owing to the synergistic effect between the cationic structure and nano-multiple humps, it exhibits 100% antibacterial activity against E. coli and S. aureus.
Vitaly K. Vorobiov, Maria P. Sokolova, Yuliya A. Nashchekina, Veronika S. Andreeva, Ivan S. Kuryndin, Yulia E. Gorshkova, Ruslan Y. Smyslov, Eugene V. Sivtsov, Michael A. Smirnov
This work demonstrates 3D printing of composite hydrogels using DES/CNF-based inks. DES reduces CNF agglomeration, enabling better printability than aqueous dispersions, and enhances mechanical properties exceeding molded counterparts owing to layered architecture and filler alignment. The prepared materials are non-toxic and exhibit cartilage-like mechanics, demonstrating potential for biomedical applications.
Vanadium complexes bearing bidentate phenoxy-phosphine ligands demonstrated remarkable efficiency in ethylene homopolymerization and copolymerization with various olefins. Their catalytic performance was strongly influenced by the electronic and steric environment of ligands and comonomers. These results highlight the importance of rational ligand design and comonomer selection in optimizing catalyst performance.
In this work, a chemically recyclable and biodegradable poly(glycolic acid)-based triblock copolymer with adjustable performance was synthesized. The PGA-based triblock copolymer can be recycled to the monomer through vacuum-assisted catalytic thermal depolymerization without any solvent, which establishes chemically closed-loop recycling.
Ekaterina A. Olenich, Vadim V. Gorodov, Nina V. Demchenko, Ulyana S. Andropova, Kirill K. Bakanov, Artur E. Krupnin, Irina O. Kuchkina, Sergei A. Kostrov, Sergey A. Milenin, Sergey N. Chvalun, Jun Zou, Elena Yu. Kramarenko
This study develops magnetoactive polymer composites for soft robotics via extrusion-based 3D printing. Polysiloxane-urea copolymers were synthesized and characterized for thermal and rheological properties. Carbonyl iron microparticles were incorporated into the soft polymer matrix, and 3D printing experiments confirmed their suitability for additive manufacturing.
This work demonstrates a molecular design strategy for tuning TPU’s modulus by altering the terminal diisocyanate in hard segments. Combining DFT and microstructural analysis, it reveals how the diisocyanate geometry and competition between π–π stacking and hydrogen bond govern hydrogen bond formation, crystallization, and physical crosslinking network.
A Tb-carboxyl-imidazole coordination-crosslinked carboxylated nitrile butadiene rubber (XNBR) elastomer that exhibits high mechanical robustness, fluorochromism, and white-light emission is reported. This coordination cross-linked tough elastomer paves a new way for fabricating soft devices and sensors, where optical information displays and optical signal responses are required.
Using 1,9-decadiene as long-chain branching (LCB) reagent, H-shaped LCB structures were introduced into polybutene-1 (i-PB), 1-butene/propylene copolymers (B/P copolymers), and 1-butene/ethylene copolymers (B/E copolymers). The results reveal that H-shaped LCB structures generated from 1,9-decadiene possesses the capacity to accelerate the Form II-I transformation. Nevertheless, the competitive interplay between the transition-promoting influence of LCB and the transition-retarding influence arising from the long alkyl substituents leads to an inhibiting effect on the Form II-I transition in the 1-butene/ethylene copolymerization system.
This study synthesized a new polymerizable deep eutectic solvent composed of 2–(Methacryloyloxy)–N,N,N–Trimethylammonium Methyl Sulfate, choline chloride, and hydroxyethyl acrylate. Through photo-polymerization, an ion-conductive elastomer with stretchability, toughness, and high ionic conductivity was successfully prepared, which shows broad application prospects in human motion and body temperature detection.
An e-PTFE-reinforced poly (arylene quinuclidinium) membrane has been fabricated to preserve its intrinsic alkaline stability while reducing hydrogen permeability and enhancing mechanical durability. The resulting R-PTPQui membrane exhibits a current density of 4.9 A cm−2 at 2.0 V and demonstrates a durability of 500 h in anode noble metal-free water electrolyzers.
By utilizing the selective hydrolysis of polymer chains in the amorphous regions of melt-crystallized PLLA, the maximum folding number and minimum cluster number within a single chain were quantitatively determined. Our work provides a strategy for investigating chain folding and traversing during the melt crystallization of polymers.
This study constructed PA6/OMMT/mPOE/PTFE nanocomposites using PA6 as the substrate. The TB structure significantly improves the toughness and gas barrier performance of the material.
Based on the characteristic that P(HB-co-HV) eutectic copolymer includes different lamellar structures, a double melting peak structure was achieved by regulating the foaming process, which significantly improved the foamability of P(HB-co-HV) and resulted in a foamed material with uniform and dense cellular structure.
A melt electrospinning/melt-blown hybrid with a 0.3-mm nozzle and auxiliary hot air continuously produces solvent-free polypropylene fibers (~0.86 μm) for battery separators. Hot-air temperature chiefly controls fineness and stability. Higher nozzle temperature reduces viscosity and raises throughput but thins little. Scalable and sustainable, the process promises next-generation Li-ion separator applications.
PVA/TA@CNT composite hydrogels with triple-crosslinking networks are shown. High mechanical strength, excellent flexibility, and good cytocompatibility, accompanied by a significant increase in crystallinity, address the challenge of balancing structural reinforcement with biosafety in hydrogels.
The knot size of a circular semiflexible polyelectrolyte (PE) in the presence of trivalent salt s studied using the molecular dynamics simulation package LAMMPS. The knot size can be tuned by the bending rigidity b of PE and the molar concentration of the salt CS. The knot size decreases firstly, then increases with b or CS increase.