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Accurate localization and delivery of biomolecules are pivotal for building tools to understand biology. The interactions of biomolecules with atomically flat 2D surfaces offer a means to realize both the localization and delivery, yet experimental utilization of such interactions has remained elusive. By combining single-molecule detection methods with computational approaches, we comprehensively characterize the interactions of individual DNA molecules with hexagonal boron nitride (hBN) surfaces. Our experiments directly show that, upon binding to a hBN surface, a DNA molecule retains its ability to diffuse along the surface. Further, we show that the magnitude and direction of such diffusion can be controlled by the DNA length, the surface topography, and atomic defects. We observe that the diffusion speed of the biomolecules is significantly lower than indicated by molecular dynamic simulations. Through computational analysis, we present the model based on temporary trapping by atomic defects that accounts for those observations. By fabricating a narrow hBN ribbon structure, we achieve pseudo-1D confinement, demonstrating its potential for nanofluidic guiding of biomolecules.
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http://dx.doi.org/10.1021/acsnano.4c16277 | DOI Listing |
J Chem Phys
September 2025
Instituto de Ciencia de Materiales de Madrid (ICMM), Consejo Superior de Investigaciones Científicas (CSIC), Campus de Cantoblanco, 28049 Madrid, Spain.
The mechanical properties of graphene are investigated using classical molecular dynamics simulations as a function of temperature T and external stress τ. The elastic response is characterized by calculating elastic constants via three complementary methods: (i) numerical derivatives of stress-strain curves, (ii) analysis of cell fluctuation correlations, and (iii) phonon dispersion analysis. Simulations were performed with two interatomic models: an empirical potential and a tight-binding electronic Hamiltonian.
View Article and Find Full Text PDFSmall
September 2025
Department of Materials Science, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba, 263-8522, Japan.
1D electronic structures on 2D crystalline surfaces are crucial for investigating low-dimensional quantum phenomena and enabling the development of dimensionally engineered nanodevices. However, the inherent periodic symmetry of 2D atomic lattices generally leads to delocalized electronic band extending across the surface, making the creation of periodic 1D electronic states a significant challenge. Here, robust 1D electronic ordering is demonstrated in ultrathin Mn films grown on an atomically flat, non-reconstructed body-centered cubic Fe substrate.
View Article and Find Full Text PDFJ Chem Theory Comput
September 2025
College of Integrated Circuits, Hunan University, Changsha 410082, China.
Molecular dynamics (MD) simulations have emerged as a transformative computational microscope for probing atomic interactions spanning catalysis, energy storage, biotechnology, and beyond. However, existing machine-learning MD (MLMD) frameworks face a trilemma in balancing accuracy, scalability, and energy efficiency, particularly in compositionally complex systems like high-entropy alloys and multiferroic perovskites. Here, we introduce NVNMD-v2, a co-designed algorithm-hardware architecture that integrates a generalized deep neural-network potential (GDNNP) within a processing-in-memory (PIM) accelerator.
View Article and Find Full Text PDFChem Mater
August 2025
Physical Chemistry, TU Dresden, Zellescher Weg 19, 01069 Dresden, Germany.
The growth of atomically flat CdSe nanoplatelets (NPLs) thicker than 5 monolayers (ML) remains a major challenge in colloidal semiconductor synthesis, particularly for core/crown heterostructures. Here we report the successful synthesis of zinc-blende CdSe NPLs with unprecedented thicknesses of 6 and 7 ML, exhibiting sharp photoluminescence at 579 and 596 nm, respectively. We demonstrate that these thick NPLs can serve as cores for CdSe/CdS core/crown heterostructures, confirmed by lateral size expansion and the emergence of characteristic CdS absorption features.
View Article and Find Full Text PDFPublic Underst Sci
September 2025
Institut Jean Nicod, Département d'études cognitives, ENS, EHESS, PSL University, CNRS, France.
Substantial minorities of the population report a low degree of trust in science, or endorse conspiracy theories that violate basic scientific knowledge. This might indicate a wholesale rejection of science. In four studies, we asked 782 US participants questions about trust in science, conspiracy beliefs, and basic science (e.
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