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Molecule-Based Proton-Electron Mixed Conductor with the Highest Ambipolar Conductivity.
J Am Chem Soc
January 2025
Division of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502, Japan.
Proton-electron mixed conductors (PEMCs) are an essential component for potential applications in hydrogen separation and energy conversion devices. However, the exploration of PEMCs with excellent mixed conduction, which is quantified by the ambipolar conductivity, σ = σσ/(σ + σ) (σ: electronic conductivity; σ: proton conductivity), is still a great challenge, largely due to the lack of structural characterization of both conducting mechanisms. In this study, we prepared a molecule-based proton-electron mixed-conducting cation radical salt, (ET)[Pt(pop)(Hpop)]·PhCN (ET: bis(ethylenedithio)tetrathiafulvalene, pop: PHO), by electrocrystallization.
View Article and Find Full Text PDFPairMap: An Intermediate Insertion Approach for Improving the Accuracy of Relative Free Energy Perturbation Calculations for Distant Compound Transformations.
J Chem Inf Model
January 2025
Department of Computer Science, School of Computing, Institute of Science Tokyo, Yokohama 226-8501, Japan.
Accurate prediction of the difference in binding free energy between compounds is crucial for reducing the high costs associated with drug discovery. Relative binding free energy perturbation (RBFEP) calculations are effective for small structural changes; however, large topological changes pose significant challenges for calculations, leading to high errors and difficulties in convergence. To address such issues, we propose a new approach─PairMap─that focuses on introducing appropriate intermediates for complex transformations between two input compounds.
View Article and Find Full Text PDFEffects of High-Intensity Motor Learning and Dietary Supplementation on Motor Skill-Related Physical Fitness in Thin Ethiopian Children Aged 5 to 7 Years: An Exploratory Pilot Cluster-Randomized Trial.
Nutrients
December 2024
Rehabilitation Research Centre (REVAL), Rehabilitation Sciences and Physiotherapy, Hasselt University, Wetenschapspark 7, 3590 Diepenbeek, Belgium.
Background: Malnutrition has extensive consequences, affecting multiple levels of functioning, including motor skill impairments. However, current interventions have mainly focused on dietary treatment, often neglecting motor impairments and relying solely on clinical and anthropometric indicators to assess treatment response. This study aims to bridge this gap by examining the combined effect of ready-to-use supplementary food (RUSF) and high-intensity motor learning (HiML) on motor skill-related physical fitness in children with moderate thinness (MT).
View Article and Find Full Text PDFA flexible wearable sensor based on the multiple interaction and synergistic effect of the hydrogel components with anti-freezing, low swelling for human motion detection and underwater communication.
Int J Biol Macromol
January 2025
School of Textile Science and Engineering, Tiangong University, Tianjin 300387, China; Ministry of Education Key Laboratory of Advanced Textile Composite Materials, Tiangong University, Tianjin 300387, China. Electronic address:
To meet the increasing demand for wearable sensor in special environment such as low temperature or underwater, a multifunctional ionic conducting hydrogel (Gel/PSAA-Al hydrogel) with anti-freezing and low swelling for human motion detection and underwater communication was prepared using gelatin (Gel), [2-(methacryloyloxy) ethyl] dimethyl-(3-sulfopropyl) ammonium hydroxide (SBMA), acrylamide (AAm), acrylic acid (AAc), and AlCl. Due to reversible hydrogen bonding, electrostatic interactions and metal coordination crosslinking between the polymer networks, the resulting Gel/PSAA-Al hydrogels present low swelling property in water and exhibit large tensile properties (~1050 %), high tensile strength (~250 kPa) and excellent fatigue resistance. In addition, the hydration capacity of SBMA and AlCl endows the Gel/PSAA-Al hydrogel fantastic anti-freezing (-31.
View Article and Find Full Text PDFFlat-Band AC Transport in Nanowires.
Nanomaterials (Basel)
December 2024
Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Mexico City 04510, Mexico.
The electronic states in flat bands possess zero group velocity and null charge mobility. Recently, flat electronic bands with fully localized states have been predicted in nanowires, when their hopping integrals between first, second, and third neighbors satisfy determined relationships. Experimentally, these relationships can only be closely achieved under external pressures.
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