Related papers: Multi-shell model of ion-induced nucleic acid cond…
The stability and dynamics of a double-stranded DNA (dsDNA) is affected by the preferential occupancy of small monovalent molecular ions. Small metal and molecular ions such as sodium and alkyl ammonium have crucial biological functions in…
We study superfluid helium droplets multiply charged with ions. When stable, the charges are found to reside in equilibrium close to the droplet surface, thus representing a physical realization of Thomson's model. We find the minimum…
We investigate inelastic collision dynamics of a single cold ion in a Bose-Einstein condensate. We observe rapid ion-atom-atom three-body recombination leading to formation of weakly bound molecular ions followed by secondary two-body…
Electrogenerated gas nanobubbles strongly influence the performance of electrochemical energy-conversion systems, yet their nucleation and early evolution remain poorly understood due to limitations of existing experimental and…
We present a multi-scale simulation of early stage of DNA damages by the indirect action of hydroxyl ($^\bullet$OH) free radicals generated by electrons and protons. The computational method comprises of interfacing the Geant4-DNA Monte…
Sufficiently dimerized quantum antiferromagnets display elementary S=1 excitations, triplon quasiparticles, protected by a gap at low energies. At higher energies, the triplons may decay into two or more triplons. A strong enough magnetic…
Recent studies exposed many remarkable properties of layered cobaltates NaxCoO2. Surprisingly, many-body effects have been found to increase at sodium-rich compositions of NaxCoO2 where one expects a simple, nearly free motion of the dilute…
The hypothesis of composite $XHe$ dark atoms may provide solution to the long-standing problem of direct searches for dark matter particles. The main problem of the $XHe$ dark atom is its ability to strongly interact with the nucleus of…
Although RNAs play many cellular functions little is known about the dynamics and thermodynamics of these molecules. In principle, all-atom molecular dynamics simulations can investigate these issues, but with current computer facilities,…
The dynamics of an x-ray-ionized two-component core-shell nanosystem is probed using doped helium (He) nanodroplets. First, a soft x-ray pump pulse selectively inner-shell ionizes the core cluster formed of heavier rare-gas atoms, causing…
Fluid phase equilibria involving nano-dispersed phases, where at least one of the coexisting phases is confined to a small volume, are investigated by molecular dynamics simulation. Complementing previous studies on nanoscopic droplets,…
We present an experimentally guided, bi-phasic, multi-species ionic gel model to compare and make quantitative predictions on the viscoelastic properties of healthy mucus versus Cystic-Fibrosis infected mucus. The mixture theory consists of…
DNA is now firmly established as a versatile and robust platform for achieving synthetic nanostructures. While the folding of single molecules into complex structures is routinely achieved through engineering basepair sequences, much less…
A variety of phenomena connected with the formation of a dinuclear complex is observed in the heavy ion collisions at low energies. The dinuclear system model allows us to analyze the experimental data and to interpret them by comparison of…
Through molecular dynamics simulations considering thermal vibration of surface atoms, ionic behaviors in concentrated NaCl solutions confined between discretely charged silicon surfaces have been investigated. The electric double layer…
Increasing experimental evidence is building which indicates that signatures of strong correlations are present in the Na rich region of Na$_x$CoO$_2$ (ie. $x\approx0.7$) and absent in the Na poor region (ie. $x\approx0.3$). This is…
We analyze a system of PDEs governing the interaction between two compressible mutually noninteracting fluids and a shell of Koiter type encompassing a time dependent 3D domain filled by the fluids. The dynamics of the fluids is modelled by…
We scrutinize the effect of polyvalent ions on polymer-DNA interactions. We extend a recently developed test charge theory to the case of a stiff polymer interacting with a DNA molecule in an electrolyte mixture. The theory accounts for…
We perform computational investigations of electrolyte-mediated interactions of charged colloidal particles confined within nanochannels. We investigate the role of discrete ion effects, valence, and electrolyte strength on colloid-wall…
We use X-ray scattering and molecular simulations to investigate the structural properties of complexes of multivalent cationic lipids and DNA molecules. At low mole fraction of neutral lipids (NLs), $\Phi_{\rm NL}$, the complexes show…