A computational method for characterizing molecular-scale load transfer in polymer systems containing structural heterogeneity

A computational method for characterizing molecular-scale load transfer in polymer systems containing structural heterogeneity

Molecular dynamics simulations of polymer microstructures provide novel insights into mechanical behaviors arising from diverse structural heterogeneities, such as hetero-interfaces, topology, 

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  • Crystallization kinetics of high-density polyethylene copolymers containing 1-butene and 1-hexene were investigated using differential scanning calorimetry (DSC), in-situ wide-angle X-ray diffraction (WAXD), and in-situ small-angle light scattering (SALS). Compared to 1-hexene copolymers, 1-butene copolymers exhibit slower isothermal crystallization, reduced spherulite growth, and higher lamellar surface free energy (σf), highlighting the pronounced impact of comonomer type on nucleation thermodynamics and lamellar development.

    • Wonchalerm Rungswang
    • Chatchai Jarumaneeroj
    • Supagorn Rugmai
    Original Article
  • Carrier-free nano-prodrugs (NPDs) were developed for selective drug release in cancer cells using stimulus-responsive systems: esterases, reactive oxygen species (ROS), and glutathione (GSH). Esterase-activated NPDs showed hydrophobicity-dependent drug release through SN-38 modification. ROS-responsive NPDs with trimethyl lock groups demonstrated selective activation by intracellular H2O2. GSH-responsive dimeric SN-38 prodrugs exhibited enhanced antitumor effects with reduced side effects. These NPDs achieved high drug loading and excellent stimulus responsiveness without using carriers, providing a promising platform for safer and more effective cancer therapy.

    • Yoshitaka Koseki
    Focus Review
  • Three types of polyketones with different numbers of 3,5-(C4F9)2C6H3 groups at both ends were successfully synthesized. The resulting polyketones are soluble in typical organic solvents such as THF, CHCl3, and NMP. They exhibit good thermal stability above 519 °C (Td10) and high glass transition temperature (Tg) above 221 oC. Furthermore, these polyketones also have excellent water/oil repellency.

    • Haruki Konta
    • Katsuya Maeyama
    Original Article
  • Elastin-like polypeptides (ELPs) typically undergo liquid‒liquid phase separation to form coacervates. This focus review presents a molecular design strategy for novel ELPs to obtain self-assembled nanofibers via coacervation. In this molecular design, various functional motifs can be presented on the nanofiber surface, allowing cell-selective growth and differentiation control. In addition, unique viscoelastic properties of hydrogels composed of the nanofibers are discussed. These nanofibers and hydrogels could serve as platforms for small-diameter artificial blood vessels and scaffold materials for regenerative medicine.

    • Ayae Sugawara-Narutaki
    Focus ReviewOpen Access
  • To design and fabricate advanced polymer-based multilayer devices and composite materials, it is crucial to gain a better understanding of the aggregation states at the surface and at interfaces with solid materials in polymer films. Here, we report the depth profile of polyrotaxane (PR) when mixed with polystyrene (PS), analyzed using X-ray photoelectron spectroscopy and neutron reflectivity. Our findings indicate that PS and PR segregated at the surface and the substrate interface, respectively, with the extent of segregation depending on the length of the PS chains.

    • Miki Taguchi
    • Noboru Miyata
    • Keiji Tanaka
    Original Article
  • “Polypyrrole, poly(N-methylpyrrole) and poly(N-ethylpyrrole) nanoparticles with surfactant-free clean surfaces were successfully synthesized via a vapor-phase coupling polymerization protocol. The particles could achieve colloidal stability through an electrostatic stabilization mechanism, as the polymerization process introduces cationic charges to the polymers via doping. The particles could adsorb on oil‒water interfaces and work as effective Pickering-type emulsifiers. Suspension polymerization of vinyl monomer-in-water Pickering emulsions stabilized with the nanoparticles resulted in the production of nanoparticle-coated polymer microparticles.”

    • Yuya Atsuta
    • Kazusa Takeuchi
    • Syuji Fujii
    Original Article
  • This review highlights key strategies to enhance the flexibility of carbon nanofibers (CNFs) and their applications. The preparation strategies encompass pore creation, nanoparticle doping, reaction process regulation, and tension stretching. These approaches are designed to refine the reaction process and bolster the physical characteristics of CNFs. The applications extend across supercapacitors to lithium-ion batteries, underscoring the versatile potential of flexible CNFs.

    • Jianghao Wang
    • Shuyan Yu
    • Congju Li
    Review