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“Tubular J-Aggregates of a New Thiacarbocyanine Cy5 Dye for the Far-red Spectral Region – A Spectroscopic and Cryo-Transmission Electron Microscopy Study”
The aggregation behavior of a phenol-substituted thiacarbocyanine Cy5 dye (5-chloro-2-[5-[5-chloro-3-(4-sulfobutyl)-3H-benzothiazol-2-ylidene]-3-phenyl-penta-1,3-dienyl]-3-(4-sulfo¬butyl)-benzothiazol-3-ium hydroxide, inner salt, triethylammonium salt) in aqueous solution is investigated using stead...

Ab initio theory of noble gas atoms in bcc transition metals
Systematic ab initio calculations based on density functional theory have been performed to gain fundamental understanding of the interactions between noble gas atoms (He, Ne, Ar and Kr) and bcc transition metals in groups 5B (V, Nb and Ta), 6B (Cr, Mo and W) and 8B (Fe). Our charge density analysis...

Towards a general acid-based method for the determination of gold in ore samples by inductively-coupled plasma-mass spectrometry (ICP-MS), together with an investigation of solvent extraction of gold for analytical determination by microwave-induced plasma-atomic emission spectrometry (MIP-AES)
In this paper, we explore a variety of aqueous digestion techniques for the determination of gold, in a wide variety of mineral matrices. These include feldspar, basalt, pyrites, and other gold-containing minerals. The acid-based digestion methods compete effectively with fire assay to deliver accur...

Molecular Dynamics Simulations of Ammonium/Phosphonium-based Protic Ionic Liquids: Influence of Alkyl to Aryl group
The variation of center atom in cation from N to P-atom lead to improved physio-chemical properties of protic ionic liquids (PILs) which are suitable for electrolyte applications. We present atomistic simulations study to compare the effect of alkyl or aryl group on trioctylammonium triflate ([HN(Oc...

Phenylene-bridged cross-conjugated 1,2,3-trisilacyclopentadienes
1,2,3-Trisilacyclopentadienes are obtained from the reactions of cyclotrisilene c-Si3R4 (R = iPr3C6H2) with phenyl and diphenyl acetylene, respectively. With 1,4-diethynyl benzene the cross-conjugated bridging of two of the Si3C2 cycles by a para-phenylene linker is achieved. UV/Vis spectroscopy ind...

Emerging Investigator Series: Sunlight Photolysis of 2,4-D Herbicides in Systems Simulating Leaf Surfaces
Pesticides are commonly applied on foliage, forming dry deposits on the leaf cuticular wax. However, their photochemical transformation in this lipophilic environment is much less understood compared with that in surface water. In this work, sunlight photolysis of six chlorinated phenoxyacetic acid ...

Quantifying vapor transfer into evaporating ethanol drops in humid atmosphere
The effect of ambient temperature and relative humidity on the dynamics of ethanol drop evaporation is investigated. Although drop evaporation of mixtures and pure fluids has been extensively studied, very little is known about the transition from pure fluid to a binary mixture following transfer of...

Viscous field-aligned water exhibits cubic-ice-like structural motifs
Strong electric fields are known to greatly accelerate the freezing of water in molecular dynamics simulations, and have also been shown to affect the thermodynamics of the phase transition. In this work, a mechanistic explanation for field-induced crystallization of water is presented. Due to the c...

Synthesis of zero-valent iron nanoparticles via laser ablation in a formate ionic liquid under atmospheric conditions
Transition metal nanoparticles (NPs) are promising materials for use as catalysts in many processes, although they are easily oxidized under ambient conditions. In this communication, a novel synthetic method is proposed for producing zero-valent iron (Fe) NPs by laser ablation under atmospheric con...

Engineering strategies for rational polyketide synthase design
Covering: mid 1990s to 2018Over the last two decades, diverse approaches have been explored to generate new polyketides by engineering polyketide synthases (PKSs). Although it has been proven possible to produce new compounds by designed PKSs, engineering strategies failed to make polyketides availa...

An efficient copper catalyzed 3D mesoporous aluminosilicate for the synthesis of dibenzodiazonines in Ullmann cross-coupling reaction
A series of copper oxide with different weight percentages such as 2%, 4% & 6% supported on three dimensional mesoporous aluminosilicates have been prepared by hydrothermal method, the effects of loading amount on the support, interactions of components and surface properties were systematically inv...

Rare-earth metal bis(aminobenzyl) complexes supported by pyrrolyl-functionalized arylamide ligands: synthesis, characterization and styrene polymerization performance
Acid-base reaction between the rare-earth tris(o-dimethylaminobenzyl) complexes Ln(CH2C6H4NMe2-o)3 and the pyrrolyl-functionalized arylamide ligands 2,5-Me2C4H2NCH2SiMe2NHC6H4R (R = H, (HL1); R = Cl-p, (HL2)) was investigated. Treatment of HL1 and HL2 with 1 equiv. of Ln(CH2C6H4NMe2-o)3 in toluene a...

Impact of “half-crown/two carbonyl” - Ca2+ Metal Ion Interactions of a Low Molecular Weight Gelator (LMWG) on its Fiber to Nanosphere Morphology Transformation with Gel-to-Sol Phase Transition.
We report here a smart functional low molecular weight gelator (LMWG) L, containing unusual metal ion coordination site, i.e. “half-crown/two carbonyl”. The gelator L shows excellent gelation behavior with typical fibrillar morphology in acetonitrile, methanol and ethanol medium. Upon Ca2+ ion bindi...

A light-driven molecular machine based on stiff stilbene
We report a new molecular design for optically triggered nm-scale translation of a submolecular component relative to another. We used a rotaxane-like molecule terminated at one end with stiff stilbene that served both as a chromophore to trigger the translation of the pillar[5]arene “wheel” and as ...

Formation of arrays of planar, murine, intestinal crypts possessing a stem/proliferative cell compartment and differentiated cell zone
A simple, in vitro intestinal model recapitulating key aspects of crypt architecture and physiology would facilitate our understanding the impact of drugs, foods and microbial metabolites on the intestine. To address the limitations of previously reported intestinal in vitro platforms, we developed ...


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