Wettability of pristine and alkyl-functionalized graphane

Graphane is a hydrogenated form of graphene with high bandgap and planar structure insensitive to a broad range of chemical substitutions. We describe an atomistic simulation approach to predict wetting properties of this new material. We determine the contact angle to be 73°. The lower hydrophobicity compared to graphene is explained by the increased planar density of carbon atoms while we demonstrate that the presence of partial charges on carbon and hydrogen atoms plays only a minor role. We further examine the effects of graphane functionalization by alkyl groups of increasing chain lengths. The gradual increase in contact angle with chain length offers a precise control of surface wettability. A saturated contact angle of 114° is reached in butylated form. We find the saturation of contact angle with respect to the length of the functional groups to coincide with the loss of water's ability to penetrate the n-alkyl molecular brush and interact with carbon atoms of the underlying lattice. Since no experimental data have yet become available, our modeling results provide the first estimate of the wettability of graphane. The results also show how its alkyl functionalization provides the basis for a variety of chemical modifications to tune hydrophilicity while preserving the planar geometry of the substrate.     

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.     

Selective C(sp3)−H Aerobic Oxidation Enabled by Decatungstate Photocatalysis in Flow

A mild and selective C(sp³)?H aerobic oxidation enabled by decatungstate photocatalysis has been developed. The reaction can be significantly improved in a microflow reactor enabling the safe use of oxygen and enhanced irradiation of the reaction mixture. Our method allows for the oxidation of both activated and unactivated C?H bonds (30 examples). The ability to selectively oxidize natural scaffolds, such as (?)‐ambroxide, pregnenolone acetate, (+)‐sclareolide, and artemisinin, exemplifies the utility of this new method.     

Oxygen‐Doped Zig‐Zag Molecular Ribbons

The synthesis of a zig‐zag oxygen‐doped molecular rhombic ribbon has been achieved. This includes oxidative C?C and C?O bond formations that allowed the stepwise elongation and planarization of an oxa‐congener of 2,7‐periacenoacene. X‐ray diffraction analysis corroborated the flat structure and the zig‐zag topology of the O‐doped edges. Photophysical and electrochemical investigations showed that the extension of the peri‐xanthenoxanthene (PXX) into the molecular ribbon induces a noticeable shrinking of the molecular band gap devised by a rising of the HOMO energy level, a desirable property for p‐type organic semiconductors.     

Real-time monitoring of nanomolar binding to a cyclodextrin monolayer immobilized on a Si/SiO2/novolac surface using white light reflectance spectroscopy: the case of triclosan

The monitoring of the antibacterial agent triclosan binding at nanomolar concentration from an aqueous solution by employing a well-packed monolayer with a predetermined single orientation made of specifically synthesized 2,3-dimethyl-6-(undec-10-enamide)-6-deoxy-β-cyclodextrin (DMBUA) on a silicon wafer (Si/SiO(2)) coated with a novolac resin is reported. A white light reflectance spectroscopy (WLRS) setup was used for the real-time monitoring of the DMBUA deposition and triclosan binding processes. Film thicknesses obtained by WLRS were in very good agreement with the ones measured by X-ray reflectivity (XRR) experiments. Triclosan binds strongly to the DMBUA monolayer (logK(assoc)=6.68). NMR studies in aqueous solution indicated that the chlorophenolyl ring rather than the dichlorophenyl ring is preferentially inserted into DMBUA cups. The current detecting system that requires no tedious surface chemistry, no thiolated cyclodextrins, no gold surfaces, and no expensive equipment may be useful in capturing small molecules and may permit various applications, e.g., preparation of antimicrobial surfaces.