An interionic force law for HgCl2 from first-principles molecular calculations

Mercury dichloride is an ionic compound solidifying into a unique layer structure of rod-like monomers, so that unusual structural and physical properties can be expected for its liquid state. We propose a set of pseudoclassical interionic potentials, including three-body forces and electronic-polarization terms, patterned on the results of relativistic first-principles calculations on the molecular monomer, dimer and trimer. The proposed force law will allow structural studies of the condensed phases by molecular-dynamics simulations, with the main aims of exploring the nature of the short-range and intermediate-range order in the melt and the process of ionization at high pressure and temperature.     

Monatomic rarefied gas as a singular limit of polyatomic gas in extended thermodynamics

We show that, in the theory of extended thermodynamics, rarefied monatomic gases can be identified as a singular limit of rarefied polyatomic gases. Under naturally conditioned initial data we prove that the system of 14 field equations for polyatomic gases in the limit has the same solutions as those of the system of 13 field equations for monatomic gases where there exists no dynamic pressure. We study two illustrative examples in the process of the limit, that is, the linear waves and the shock waves in order to grasp the asymptotic behavior of the physical quantities, in particular, of the dynamic pressure.     

An Unexpected Role of Hyaluronic Acid in Trafficking siRNA Across the Cellular Barrier: The First Biomimetic,Anionic, Non‐Viral Transfection Method

Circulating nucleic acids, such as short interfering RNA (siRNA), regulate many biological processes; however, the mechanism by which these molecules enter the cell is poorly understood. The role of extracellular‐matrix‐derived polymers in binding siRNAs and trafficking them across the plasma membrane is reported. Thermal melting, dynamic light scattering, scanning electron microscopy, and computational analysis indicate that hyaluronic acid can stabilize siRNA via hydrogen bonding and Van der Waals interactions. This stabilization facilitated HA size‐ and concentration‐dependent gene silencing in a CD44‐positive human osteosarcoma cell line (MG‐63) and in human mesenchymal stromal cells (hMSCs). This native HA‐based siRNA transfection represents the first report on an anionic, non‐viral delivery method that resulted in approximately 60 % gene knockdown in both cell types tested, which correlated with a reduction in translation levels.     

A Volume Inequality for Quantum Fisher Information and the Uncertainty Principle

Let A ₁,…,A _N be complex self-adjoint matrices and let ρ be a density matrix. The Robertson uncertainty principle

Supersonic cluster beam fabrication of metal–ionogel nanocomposites for soft robotics

Soft robotics is an emerging field targeting at the development of robotic bodies and architectures characterized by flexibility, adaptability, and motility typical of that of biological systems. The use of electroactive ionic polymer–metal nanocomposites able to reversibly deform in response to low-intensity electric fields constitutes a promising solution for the implementation of actuators into soft robots. Currently, the use of this class of nanocomposites is hampered by several drawbacks, mainly related to the mismatch between the mechanical properties of the polymer and the metallic electrodes compromising their stability and resilience upon cyclic deformation.Here, we report and discuss on the use of supersonic cluster beam implantation (SCBI) as an effective strategy for the fabrication of soft electroactive ionic polymeric nanocomposite actuators. SCBI relies on the use of supersonically accelerated beams of neutral metal nanoparticles that can be aerodynamically collimated and directed onto a polymeric target to generate thin nanostructured metal layers physically interpenetrating with the polymer.Soft electroactive actuators based on engineered ionogel and ionogel-based hybrid nanocomposites provided with monolithically integrated cluster-assembled gold electrodes will be discussed. These systems can undergo long-term bending deformation in a low-voltage regime, due to the nanostructured electrode resilience. The use of cluster-assembled nanostructured electrodes opens new opportunities for the high-throughput manufacturing of soft ionic actuators with excellent mechanical resiliency, high-performance actuation, and high durability.     

On the six-field model of fluids based on extended thermodynamics

We study the six-field model of fluids (ET6) derived from extended thermodynamics. The six fields are the mass density, the velocity, the temperature, and the dynamic pressure (nonequilibrium pressure). We present the basic system of field equations of ET6. And we elucidate its characteristic features through the studies of the singular limit from polyatomic to monatomic rarefied gases, of hydrodynamic fluctuation, and of a hard-sphere system. Open problems remained in ET6 at present are also pointed out.     

Synthesis of Copper-Based Nanostructures in Liquid Environments by Means of a Non-equilibrium Atmospheric Pressure Nanopulsed Plasma Jet

The influence of the liquid composition on the chemical and morphological properties of copper-based nanostructures synthesized by a non-equilibrium atmospheric plasma treatment is investigated and discussed. The synthesis approach is simple and environmentally friendly, employs a non-equilibrium nanopulsed atmospheric pressure plasma jet as a contactless cathode and a Cu foil as immersed anode. The process was studied using four distinct electrolyte solutions composed of distilled water and either NaCl?+?NaOH, NaCl only or NaOH only at two different concentrations, without the addition of any copper salts. CuO crystalline structures with limited impurities (e.g. Cu and Cu(OH)₂ phases) were produced from NaCl?+?NaOH containing solutions, mainly CuO and CuCl₂ structures were synthesized in the electrolyte solution containing only NaCl and no synthesis occurred in solutions containing only NaOH. Both aggregated and dispersed nanostructures were produced in the NaCl?+?NaOH and NaCl containing solutions. Reaction pathways leading to the formation of the nanostructures are proposed and discussed.     

Tin-free generation of alkyl radicals from alkyl 4-pentynyl sulfides via homolytic substitution at the sulfur atom

Homolytic substitution at the sulfur atom of beta-(phenylsulfanyl)vinyl radicals, obtained by radical reaction of benzenethiol with easily accessible alkyl 4-pentynyl sulfides, is a mild, effective, tin-free route for the generation of all types of alkyl radicals. This protocol can be employed in reductive defunctionalizations as well as cyclizations onto both electron-rich and electron-poor C-C double bonds.     

Sequential one-pot glycosidations catalytically promoted: unprecedented strategy in oligosaccharide synthesis for the straightforward assemblage of the antitumor PI-88 pentasaccharide

The pentasaccharide sequence of the most active components of the antitumor drug PI-88, currently in phase II clinical trial, has been rapidly assembled in high overall yield and in only three steps starting from three monosaccharide building blocks. The procedure takes advantage of the first reported strategy of sequential one-pot glycosidations conducted exclusively under catalytic activation. In addition, the procedure relies only on shelf-stable and mild promoters such as Yb(OTf)(3) and Bi(OTf)(3).