Related papers: Computational design of armored nanodroplets as na…
In this work we investigate the use of nanoporous carrier as drug delivery systems for hydrophobic molecules. By studying a model system made of porous silicon loaded with beta-carotene, we unveil a fundamental limitation of these carriers…
Understanding transport subject to molecular-scale confinement is key to advancing nanofluidics, yet classical hydrodynamic laws often fail at these scales. Here, we study a model system: transport of toluene as a solvent and small…
Nanoscale biosystems are widely used in numerous medical applications. The approaches for structure and function of the nanomachines that are available in the cell (natural nanomachines) are discussed. Molecular simulation studies have been…
We present the state-of-the-art theoretical modeling, molecular simulation, and coarse-graining strategies for the transport of gases and liquids in nanoporous materials (pore size 1-100 nm). Special emphasis is placed on the transport of…
Using a coarse-grained bead-spring model of flexible polymer chains, the structure of a polymeric nanodroplet adsorbed on a chemically decorated flat wall is investigated by means of Molecular Dynamics simulation. We consider sessile drops…
In recent years, extracellular vesicles such have become promising carriers as the next-generation drug delivery platforms. Effective loading of exogenous cargos without compromising the extracellular vesicle membrane is a major challenge.…
The jumping-droplet condensation, namely the out-of-plane jumping of condensed droplets upon coalescence, has been a promising technical innovation in the fields of energy harvesting, droplet manipulation, thermal management, etc., yet is…
In this study, using nonequilibrium molecular dynamics simulation, the water flow in carbon nanocones is studied using the TIP4P/2005 rigid water model. The results demonstrate a nonuniform dependence of the flow on the cone apex angle and…
Drug delivery systems represent a promising strategy to treat cancer and to overcome the side effects of chemotherapy. In particular, polymeric nanocontainers have attracted major interest because of their structural and morphological…
This paper proposes a mathematical approach for robust control of a nanoscale drug delivery system in treatment of atherosclerosis. First, a new nonlinear lumped model is introduced for mass transport in the arterial wall, and its accuracy…
Optical responsivity grants biomedical capsules additional capabilities, promoting them towards multifunctional theragnostic nanodevices. In this endeavor, screening candidates under conditions that closely resemble in situ environments is…
Droplets, sub-millilitre liquid volumes with at least one interface, have traditionally served as compartments for storing, transporting, and delivering materials. Beyond familiar applications in food, coatings, and consumer goods, they…
Emerging technologies based on liquid crystal (LC) materials increasingly leverage the presence of nanoscale defects, unlike the canonical application of LCs -- LC displays. The inherent nanoscale characteristics of LC defects present both…
Water inside a nanocapillary becomes ordered, resulting in unconventional behavior. A profound enhancement of water flow inside nanometer thin capillaries made of graphene has been observed [B. Radha et.al., Nature (London) 538, 222…
Lipid-based drug delivery systems are considered as promising vehicles for hydrophobic drug compounds. Lipid distribution within the droplet can affect drug loading capacity in these carriers. It is extremely challenging to determine the…
Ordering nanoparticles into a desired super-structure is often crucial for their technological applications. We use molecular dynamics simulations to study the assembly of nanoparticles in a polymer brush randomly grafted to a planar…
Nanodroplets on chemically structured substrates move under the action of disjoining pressure induced forces. A detailed analysis of them shows that even in the absence of long-ranged lateral variations of the effective interface potential,…
We describe the design, construction, and operation of an apparatus utilizing a piezoelectric transducer for in-vacuum loading of nanoparticles into an optical trap for use in levitated optomechanics experiments. In contrast to commonly…
Pickering emulsions have been widely studied due to their good stability and potential applications. Nanocellulose including cellulose nanocrystals (CNCs), cellulose nanofibrils (CNFs), and bacterial cellulose nanofibrils (BCNFs) has…
In this work, two real-time methods to transport magnetic nanowires confined in giant hybrid vesi-cles upon the application of different strategies are studied. The microscale carriers are either mag-netically guided through the viscous…