相关论文: Relative Mobility of Human Transferrin Domains Acc…
Because human serum transferrin (hTF) exists freely in serum, it is a potential target for cancer treatment drugs and in curing iron-overloaded conditions in patients via long-term transfusion therapy. The understanding of the interactions…
Transferrins are proteins responsible for transporting metal ions in all vertebrates. However, the iron binding properties of transferrins remain poorly understood. Iron, as a transition metal, forms ions with partially-occupied 3d…
A major open problem in biophysics is to understand the highly heterogeneous transport of many structures inside living cells, such as endosomes. We find that mathematically it is described by spatio-temporal heterogeneous fractional…
Organic semiconductors based on small conjugated molecules generally behave as insulators when undoped, but the hetero-interfaces of two such materials can show electrical conductivity as large as in a metal. Although charge transfer is…
In addition to the biologically active monomer of the protein Insulin circulating in human blood, the molecule also exists in dimeric and hexameric forms that are used as storage. The Insulin monomer contains two distinct surfaces, namely…
Electrons can migrate via proteins over distances that are considered long for non-conjugated systems. Proteins' nano-scale dimensions and the enormous flexibility of their structures and chemistry makes them fascinating subjects for…
We calculate open heavy-flavor (HF) transport in relativistic heavy-ion collisions by applying a strong-coupling treatment in both macro- and microscopic dynamics (hydrodynamics and non-perturbative diffusion interactions). The hydrodynamic…
Lithium-ion transport is significantly retarded in ionic liquids (ILs). In this work, we performed extensive molecular dynamics (MD) simulations to mimic the kinetics of lithium ions in ILs using [\emph{N}-methyl-\emph{N}-propylpyrrolidium…
Perovskite structured transition metal oxides are important technological materials for catalysis and solid oxide fuel cell applications. Their functionality often depends on oxygen diffusivity and mobility through complex oxide…
First-principles density-functional theory has been used to investigate equilibrium geometries, total energies, and diffusion barriers for H as an interstitial impurity absorbed in $\alpha$-Fe. Internal strains/stresses upon hydrogen…
Results are reported for single crystal specimens of Hf$_2$Te$_2$P and compared to its structural analogue Zr$_2$Te$_2$P, which was recently proposed to be a potential reservoir for Dirac physics.[1] Both materials are produced using the…
Hemoglobin (Hb) is a multifaceted protein, classified as a metalloprotein, chromoprotein, and globulin. It incorporates iron, which plays a crucial role in transporting oxygen within red blood cells. Hb functions by carrying oxygen from the…
A theory of spin-polarized electron transport in ferromagnet/semiconductor heterostructures, based on a unified semiclassical description of ballistic and diffusive transport in semiconductor structures, is developed. The aim is to provide…
The kinetics of hydrogen diffusion in C15 cubic and C14 hexagonal TiCr$_2$H$_x$ (0 < $x$ <= 4) Laves-phase hydrogen storage alloys is investigated with density functional theory (DFT) and machine learning interatomic potentials (MLIPs).…
Electron transport in clean 2D systems with weak electron-phonon (e-ph) coupling can transition from an Ohmic to a ballistic or a hydrodynamic regime. The ballistic regime occurs when electron-electron (e-e) scattering is weak whereas the…
We study thermal and electrical transport in metals and superconductors near a quantum phase transition where antiferromagnetic order disappears. The same theory can also be applied to quantum phase transitions involving the loss of certain…
Appearance of strong spin-orbit coupling (SOC) is apparent in ternary equiatomic compounds with 5$d$-electrons due to the large atomic radii of transition metals. SOC plays a significant role in the emergence of unconventional…
The water dynamics, as characterized by the local hydrophobicity (LH), is investigated for tetrameric hemoglobin and dimeric melittin. For the T0 to R0 transition in Hb it is found that LH provides additional molecular-level insight into…
Gradual reverse-bias breakdown in metal-halide perovskite diodes and solar cells is thought to originate from hole tunneling through steep bands in an ionic depletion region near the electron transport layer after positively charged iodine…
Intelligent transport of molecular species across different barriers is critical for various biological functions and is achieved through the unique properties of biological membranes. An essential feature of intelligent transport is the…