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  1. Free, publicly-accessible full text available September 21, 2024
  2. Free, publicly-accessible full text available June 29, 2024
  3. The skin exhibits nonlinear mechanics, which is initially soft and stiffens rapidly as being stretched to prevent large deformation‐induced injuries. Developing skin‐interfaced bioelectronics with skin‐inspired nonlinear mechanical behavior, together with multiple other desired features (breathable, antibacterial, and sticky), is desirable yet challenging. Herein, this study reports the design, fabrication, and biomedical application of porous mesh bioelectronics that can simultaneously achieve these features. On the one hand, porous serpentine meshes of polyimide (PI) are designed and fabricated under the guidance of theoretical simulations to provide skin‐like nonlinear mechanics and high breathability. On the other hand, ultrasoft, sticky, and antibacterial polydimethylsiloxane (PDMS) is developed through epsilon polylysine (ε‐PL) modifications, which are currently lacking in the field. Here,ε‐PL‐modified PDMS is spray‐coated on PI meshes to form the core–shell structures without blocking their pores to offer ultrasoft, sticky, and antibacterial skin interfaces. And rationally designed porous hybrid meshes can not only retain skin‐like nonlinear mechanical properties but also enable the integration of both soft and hard bioelectronic components for various healthcare applications. As the exemplar example, this study integrates soft silver nanowires (AgNWs) based electrophysiological sensors and rigid commercial accelerometers on multifunctional porous meshes for concurrently monitoring heart electrical and mechanical functions to provide comprehensive information on the evolving heart status. 
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    Free, publicly-accessible full text available October 1, 2024
  4. Proton transfer is crucial in various chemical and biological processes. Because of significant nuclear quantum effects, accurate and efficient description of proton transfer remains a great challenge. In this Communication, we apply constrained nuclear–electronic orbital density functional theory (CNEO-DFT) and constrained nuclear–electronic orbital molecular dynamics (CNEO-MD) to three prototypical shared proton systems and investigate their proton transfer modes. We find that with a good description of nuclear quantum effects, CNEO-DFT and CNEO-MD can well describe the geometries and vibrational spectra of the shared proton systems. Such a good performance is in significant contrast to DFT and DFT-based ab initio molecular dynamics, which often fail for shared proton systems. As an efficient method based on classical simulations, CNEO-MD is promising for future investigations of larger and more complex proton transfer systems.

     
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  5. Direct laser scribing of molybdenum dioxide is enabled on soft elastomers to build Janus wearables and reshapable devices. 
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