Decompositions of injection patterns for nodal flow allocation in renewable electricity networks

The large-scale integration of fluctuating renewable power generation represents a challenge to the technical and economical design of a sustainable future electricity system. In this context, the increasing significance of long-range power transmission calls for innovative methods to understand the emerging complex flow patterns and to integrate price signals about the respective infrastructure needs into the energy market design. We introduce a decomposition method of injection patterns. Contrary to standard flow tracing approaches, it provides nodal allocations of link flows and costs in electricity networks by decomposing the network injection pattern into market-inspired elementary import/export building blocks. We apply the new approach to a simplified data-driven model of a European electricity grid with a high share of renewable wind and solar power generation.     

Mechanochemical formation of a 1:1 C60: tert-butylcalix[4]azulene supramolecular complex: solid-state NMR and DFT computational studies

Abstract

Solid-state NMR data are presented to clearly support the formation of a 1:1 supramolecular complex between C₆₀ and the tetra-tert-butylated analogue of calix[4]azulene by a simple mechanochemical hand-grinding of host and guest in a mortar and pestle. The experimental results are supported by a DFT study.     

Synthesis of BODIPY Derivatives Substituted with Various Bioconjugatable Linker Groups: A Construction Kit for Fluorescent Labeling of Receptor Ligands

The goal of the present study was to design small, functionalized green-emitting BODIPY dyes, which can readily be coupled to target molecules such as receptor ligands, or even be integrated into their pharmacophores. A simple two-step one-pot procedure starting from 2,4-dimethylpyrrole and ω-bromoalkylcarboxylic acid chlorides was used to obtain new ω-bromoalkyl-substituted BODIPY fluorophores (1a–1f) connected via alkyl spacers of different length to the 8-position of the fluorescent dye. The addition of radical inhibitors reduced the amount of side products. The ω-bromoalkyl-substituted BODIPYs were further converted to introduce various functional groups: iodo-substituted dyes were obtained by Finkelstein reaction in excellent yields; microwave-assisted reaction with methanolic ammonia led to fast and clean conversion to the amino-substituted dyes; a hydroxyl-substituted derivative was prepared by reaction with sodium ethylate, and thiol-substituted BODIPYs were obtained by reaction of 1a–1f with potassium thioacetate followed by alkaline cleavage of the thioesters. Water-soluble derivatives were prepared by introducing sulfonate groups into the 2- and 6-position of the BODIPY core. The synthesized BODIPY derivatives showed high fluorescent yields and appeared to be stable under basic, reducing and oxidative conditions. As a proof of concept, 2-thioadenosine was alkylated with bromoethyl-BODIPY 1b. The resulting fluorescent 2-substituted adenosine derivative 15 displayed selectivity for the A₃ adenosine receptor (ARs) over the other AR subtypes, showed agonistic activity, and may thus become a useful tool for studying A₃ARs, or a lead structure for further optimization. The new functionalized dyes may be widely used for fluorescent labeling allowing the investigation of biological targets and processes.     

Silica‐Coating of Hematite Nanoparticles Using Reactive Water‐Soluble Polyalkoxysiloxanes

In this article, we report on a new one‐step synthetic route to obtain multi‐functional silica‐coated hematite particles using a water‐based surfactant‐free technology. The synthesis and properties of uniform silica‐coated hematite particles with adjustable size, morphology, and silica shell thickness are discussed in detail. The developed method allows simultaneous formation of the silica shell around hematite core and incorporation of reactive groups on the surface of core–shell nanoparticles. Vinyl groups are introduced to the silica surface at once by pre‐functionalization of a water‐soluble hyperbranched polyalkoxysiloxanes with active double bonds. The reactivity of these surface‐immobilized vinyl groups is demonstrated by covalent attachment of rhodamine B using a thiol‐en click reaction.     

Low-frequency variable charge solitary waves in a collisionless dusty plasma with a Cairns-Gurevich ion velocity distribution

In this paper, the problem of large amplitude dust acoustic (DA) solitons has been addressed in a charge varying dusty plasma with ions following a Cairns-Gurevich distribution. Based on the orbit motion limited approach, the correct Cairns-Gurevich ion charging current is presented for the first time. The expression relating the variable dust charge to the plasma potential is given in terms of the Lambert function and we take advantage of this transcendental function to, carefully, analyse DA solitons in a charge varying dusty plasma with trapped nonthermal ions. Our results show that the spatial patterns of the variable charge solitary wave are significantly changed due to the presence of ion population modelled by the Cairns-Gurevich distribution. An addition of a small concentration of trapped nonthermal ions makes the solitary structure less spiky, grows the net negative charge residing on the dust grain surface, and contributes to the electron depletion. Finally, our investigation is extended to highlight the effect of the grain dust charge variation. We have shown that under certain conditions, the impact of dust charge fluctuation may furnish an alternate physical mechanism rasing anomalous dissipation, which becomes more strong and may predominate over the dispersion as the nonthermal character of ions following the Cairns-Gurevich distribution increases.     

CN Bond Cleavage and Ring Expansion of N-Heterocyclic Carbenes using Hydrosilanes

Ring expansion of NHCs! The reaction of N-heterocyclic carbenes (NHCs) with hydrosilanes Ph(4-n) SiH(n) (n=1, 2, 3) results in complete rupture of the heterocycle and silylene insertion into one of the C?N bonds of the carbene (see scheme; R=alkyl, aryl).     

Surface functionalization of silica nanoparticles supports colloidal stability in physiological media and facilitates internalization in cells

The influence of the surface functionalization of silica particles on their colloidal stability in physiological media is studied and correlated with their uptake in cells. The surface of 55 ± 2 nm diameter silica particles is functionalized by amino acids or amino- or poly(ethylene glycol) (PEG)-terminated alkoxysilanes to adjust the zeta potential from highly negative to positive values in ethanol. A transfer of the particles into water, physiological buffers, and cell culture media reduces the absolute value of the zeta potential and changes the colloidal stability. Particles stabilized by L-arginine, L-lysine, and amino silanes with short alkyl chains are only moderately stable in water and partially in PBS or TRIS buffer, but aggregate in cell culture media. Nonfunctionalized, N-(6-aminohexyl)-3-aminopropyltrimethoxy silane (AHAPS), and PEG-functionalized particles are stable in all media under study. The high colloidal stability of positively charged AHAPS-functionalized particles scales with the ionic strength of the media, indicating a mainly electrostatical stabilization. PEG-functionalized particles show, independently from the ionic strength, no or only minor aggregation due to additional steric stabilization. AHAPS stabilized particles are readily taken up by HeLa cells, likely as the positive zeta potential enhances the association with the negatively charged cell membrane. Positively charged particles stabilized by short alkyl chain aminosilanes adsorb on the cell membrane, but are weakly taken up, since aggregation inhibits their transport. Nonfunctionalized particles are barely taken up and PEG-stabilized particles are not taken up at all into HeLa cells, despite their high colloidal stability. The results indicate that a high colloidal stability of nanoparticles combined with an initial charge-driven adsorption on the cell membrane is essential for efficient cellular uptake.     

Insight Into the Conformational Arrangement of a Bis-THF Diol Compound Through 2D-NMR Studies and X-Ray Structural Analysis

Abstract  

The conformational arrangement of an all-threo bis-THF diol compound, synthesized through the RuO₄-catalysed oxidative bis-cyclization of farnesyl acetate, was determined via crystallographic analysis and detailed 2D-NMR solution studies. The bis-THF compound crystallizes in the orthorhombic Pbca space group, with unit cell parameters a = 10.496(1), b = 17.974(1), c = 19.777(2) ?, Z = 8. The final refinement converged to R ₁ = 0.0484 for 4714 independent observed reflections having I > 2σ(I). There is a good agreement between the solution molecular conformation determined by 2D-NMR and the X-ray molecular conformation. The molecule adopts a folded, horse shoe-type conformation both in solution and in the crystal, that suggests aptitude to coordinate cations. Additionally, in the crystals, the molecular conformation is stabilized by intramolecular and intermolecular H-bonding.