We employ a semi-classical Langevin approach to study current-induced atomic dynamics in a partially dehydrogenated armchair graphene nanoribbon. All parameters are obtained from density functional theory. The dehydrogenated carbon dimers behave as effective impurities, whose motion decouples from the rest of carbon atoms. The electrical current can couple the dimer motion in a coherent fashion. The coupling, which is mediated by nonconservative and pseudo-magnetic current-induced forces, change the atomic dynamics, and thereby show their signature in this simple system. We study the atomic dynamics and current-induced vibrational instabilities using a simplified eigen-mode analysis. Our study illustrates how armchair nanoribbons can serve as a possible testbed for probing the current-induced forces.
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http://dx.doi.org/10.3762/bjnano.7.8 | DOI Listing |
Nat Commun
January 2025
Center for High Pressure Science, State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao, 066004, China.
Hydrous aluminosilicates are important deep water-carriers in sediments subducting into the deep mantle. To date, it remains enigmatic how hydrous aluminosilicates withstand extremely high temperatures in the mantle transition zone. Here we systematically investigate the crystal structures and chemical compositions of typical hydrous aluminosilicates using single-crystal X-ray diffraction, electron probe microanalyzer, and nanoscale secondary ion mass spectrometry.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Department of Chemical Engineering, University of Patras, Patras 26504, Greece.
Energy-efficient separation of light alkanes from alkenes is considered as one of the most important separations of the chemical industry today due to the high energy penalty associated with the applied conventional cryogenic technologies. This study introduces fluorine-doped activated carbon adsorbents, where elemental fluorine incorporation into the carbon matrix plays a unique role in achieving high ethane selectivity. This enhanced selectivity arises from specific interactions between surface-doped fluorine atoms and ethane molecules, coupled with porosity modulation.
View Article and Find Full Text PDFPharmaceutics
January 2025
Programa de Pós-Graduação em Pesquisa Translacional em Fármacos e Medicamentos (PPG-PTFM), Fundação Oswaldo Cruz (Fiocruz), Rio de Janeiro 21040-900, Brazil.
Amphotericin B (AmB) is a commonly utilized antifungal agent, which is also recommended for the treatment of certain neglected tropical diseases, including leishmaniasis. However, its clinical application is constrained because of its poor oral bioavailability and adverse effects, prompting the investigation of alternative drug delivery systems. Polymeric nanoparticles (PNPs) have gained attention as a potential drug delivery vehicle, providing advantages such as sustained release and enhanced bioavailability, and could have potential as AmB carriers.
View Article and Find Full Text PDFPolymers (Basel)
January 2025
School of Engineering, Institute for Materials and Processes, The University of Edinburgh, Sanderson Building, King's Buildings, Edinburgh EH9 3FB, UK.
The phase separation of high-density polyethylene (HDPE)-polypropylene (PP) blends was studied using atomic force microscopy in tapping mode to obtain height and phase images. The results are compared with those from scanning electron microscopy imaging and are connected to the thermomechanical properties of the blends, characterised through differential scanning calorimetry, dynamic mechanical analysis (DMA), and tensile testing. Pure PP, as well as 10:90 and 20:80 weight ratio HDPE-PP blends, showed a homogeneous morphology, but the 25:75 HDPE-PP blends exhibited a sub-micrometre droplet-matrix structure, and the 50:50 HDPE-PP blends displayed a more complex co-continuous nano/microphase-separated structure.
View Article and Find Full Text PDFPharmaceuticals (Basel)
January 2025
Laboratory of Organic Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Panepistimioupolis Zografou, 11571 Athens, Greece.
Background: In this study, two chalcone analogs were synthesized through in silico and experimental methods, and their potential to inhibit the lipoxygenase enzyme, which plays a role in the inflammation pathway, was assessed. Specifically, this study is a continuation of previous research in which chalcone derivatives were synthesized and characterized.
Objectives/methods: In the current work, we present the re-synthesis of two chalcones, with a focus on their docking studies, NMR analysis, and dynamic simulations.
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