Related papers: Skeletal editing by tip-induced chemistry
We extend the orbital-dependent electron tunneling model implemented within the three-dimensional (3D) Wentzel-Kramers-Brillouin (WKB) atom-superposition approach for simulating scanning tunneling microscopy (STM) by including arbitrary tip…
Genome editing allows scientists to change an organism's DNA. One promising genome editing protocol, already validated in living organisms, is based on clustered regularly interspaced short palindromic repeats (CRISPR)/Cas protein-nucleic…
The skeleton is an essential shape characteristic providing a compact representation of the studied shape. Its computation on the image grid raises many issues. Due to the effects of discretization, the required properties of the skeleton -…
Chiral-induced spin selectivity (CISS), whereby helical molecules polarize the spin of electrical current, is an intriguing effect with potential applications in nanospintronics. In this nascent field, the study of paramagnetic chiral…
Recently, Rozovsky et al. reported on the morphology and dynamics of superstructures in three-component lipid bilayers containing saturated and unsaturated lipids as well as cholesterol [J. Am. Chem. Soc. 127, 36 (2005)]. We comment that…
We present a very efficient and accurate method to simulate scanning tunneling microscopy images and spectra from first-principles density functional calculations. The wave-functions of the tip and sample are calculated separately on the…
The thermodynamic properties of DNA circular molecules are investigated by a new path integral computational method which treats in the real space the fundamental forces stabilizing the molecule. The base pair and stacking contributions to…
We studied the spin-flip excitations of a double-decker nickelocene molecule (Nc) adsorbed on Cu(100) by means of inelastic tunneling spectroscopy (IETS), X-ray magnetic circular dichroism (XMCD) and density functional theory calculations…
Scanning tunnelling microscopy (STM) enables atomic-resolution imaging and atom manipulation, but its utility is often limited by tip degradation and slow serial data acquisition. Fabrication adds another layer of complexity since the tip…
Recent advancements in deep learning-based interactive segmentation methods have significantly improved pathology image segmentation. Most existing approaches utilize user-provided positive and negative clicks to guide the segmentation…
The interface chemistry of silicon nanocrystals (NCs) embedded in amorphous oxide matrix is studied through molecular dynamics simulations with the chemical environment described by the reactive force field model. Our results indicate that…
We use the recently introduced independent-atom-model pixel counting method to calculate proton-impact net ionization cross sections for a large class of biologically relevant systems including pyrimidines, purines, amino acids, and…
Understanding the fundamental mechanisms of optoelectronic excitation and relaxation pathways on the single-molecule level has only recently been started by combining scanning tunneling microscopy (STM) and spectroscopy (STS) with…
Medical image analysis is central to drug discovery and preclinical evaluation, where scalable, objective readouts can accelerate decision-making. We address classification of paclitaxel (Taxol) exposure from phase-contrast microscopy of C6…
Corneal collagen crosslinking (CXL) is commonly used to prevent or treat keratoconus. Although changes in corneal stiffness induced by CXL surgery can be monitored with non-contact dynamic optical coherence elastography (OCE) by tracking…
Carbon nanotubes and biological filaments each spontaneously assemble into kinked helices, rings, and "tennis racket" shapes due to competition between elastic and interfacial effects. We show that the slender geometry is a more important…
Experiments on supported lipid bilayers featuring liquid ordered/disordered domains have shown that the spatial arrangement of the lipid domains and their chemical composition are strongly affected by the curvature of the substrate.…
Tip-enhanced Raman spectroscopy (TERS) is a powerful method for imaging vibrational motion and chemically characterizing surface-bound systems. Theoretical simulations of TERS images often consider systems in isolation, ignoring any…
Bimetallic nanoparticles are widely studied, for example in catalysis. However, possible restructuring in the environment of use, such as segregation or alloying, may occur. Taken individually, state-of-the-art analytical tools fail to give…
Computer-aided medical image analysis is crucial for disease diagnosis and treatment planning, yet limited annotated datasets restrict medical-specific model development. While vision-language models (VLMs) like CLIP offer strong…