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The increase in energy loss due to friction and the use of large amounts of lubricants to improve it are major challenges we face from a global environmental perspective. Pitcher-plant-inspired liquid-infused surfaces (LISs) are emerging super-repellent surfaces against liquids. However, their coefficient of friction (CoF) against solids is higher than that of conventional lubricant surfaces. Herein, we demonstrate superlubricity with a single water droplet placed on a LIS holding oleic acid, a component of plant oil. When a water droplet is placed on the fluid layer, the CoF under reciprocating and rotating friction is 0.012 and 0.0098, respectively. A force in the direction opposite to the loading due to the Laplace pressure on the droplet and an autonomous positional movement of the water accompanied by the optimization of surface energy maintain the fluid-lubrication state and prevent direct contact between the surface and the friction material, resulting in a decrease of the dependence of the CoF on the friction velocity. The key technology here will not only present a novel strategy for preparing LISs against solids but also serve as a step toward a sustainable green strategy for friction reduction and lubrication, which would greatly reduce energy loss and environmental degradation.

In conditions that mimic those of the living cell, where various biomolecules and other components are present, DNA strands can adopt many structures in addition to the canonical B-form duplex. Previous studies in the presence of cosolutes that induce molecular crowding showed that thermal stabilities of DNA structures are associated with the properties of the water molecules around the DNAs. To understand how cosolutes, such as ethylene glycol, affect the thermal stability of DNA structures, we investigated the thermodynamic properties of water molecules around a hairpin duplex and a G-quadruplex using grid inhomogeneous solvation theory (GIST) with or without cosolutes. Our analysis indicated that (i) cosolutes increased the free energy of water molecules around DNA by disrupting water-water interactions, (ii) ethylene glycol more effectively disrupted water-water interactions around Watson-Crick base pairs than those around G-quartets or non-paired bases, (iii) due to the negative electrostatic potential there was a thicker hydration shell around G-quartets than around Watson-Crick-paired bases. Our findings suggest that the thermal stability of the hydration shell around DNAs is one factor that affects the thermal stabilities of DNA structures under the crowding conditions., (© The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.)

In this report the radial distribution functions (RDFs) of liquid water are calculated on the basis of the classical density functional theory combined with the reference interaction site model for molecular liquids. The bridge functions, which are neglected in the hypernetted-chain (HNC) approximation, are taken into account through the density expansion for the Helmholtz free energy functional up to the third order. A factorization approximation to the ternary direct correlation functions in terms of the site-site pair correlation functions is then employed in the expression of the bridge functions, thus leading to a closed set of integral equations for the determination of the RDFs. It is confirmed through numerical calculations that incorporation of the oxygen-oxygen bridge function substantially improves the poor descriptions by the HNC approximation at room temperature, e.g., for the second peak of the oxygen-oxygen RDF.

Thermodynamic analyses and molecular dynamics calculations demonstrated that i-motifs in a hydrated ionic liquid of choline dihydrogen phosphate (choline dhp) were more stable than G-quadruplexes due to choline ion binding to loop regions in the i-motifs. Interestingly, the i-motifs formed even at physiological pH in the choline dhp-containing solution.

Highlights: [•] Classical density functional theory for liquid water is formulated. [•] Triplet correlations and bridge functions are taken into account. [•] Factorization approximation for ternary direct correlation functions is employed. [•] Radial distribution functions for liquid water are calculated and compared with simulation results. [ABSTRACT FROM AUTHOR]