94 Result(s)
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Chemistry
Inorganic Chemistry
Organic Chemistry
Physical Chemistry
Ben Ep**er
Article
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Article
Synthesis and spectral properties of mixed binuclear complexes derived from the ion pentacyano(4,4′-bipyridine)ferrate(II)
New complex analogous to Prussian Blue were synthesized both in solid phase and in aqueous solution by mixing the sodium salt of pentacyano(4,4′-bipyridine)-ferrate(II) with Cu(II) and Fe(III) salts. Infrared ...
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Nonrigid large van der Waals molecules
We address the breakdown of the (nearly) rigid molecule description of molecular structure and spectra, which is realized when the amplitude of atomic motion becomes comparable with the average bond length. Th...
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Experimental Determination of the Isotherm at 15°C of the System Mg2+/Cl−, SO4 2–H2O
The diagram of the ternary system Mg2+/Cl−, SO4 2−–H2O was established at 15°C by means of analytical and conductimetric measurements. Three compounds were found in this diagram, which are MgSO4·6H2O, MgSO4·7H2O...
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GPCRs as therapeutic targets: a view on adenosine receptors structure and functions, and molecular modeling support
G-protein-coupled receptors (GPCRs) represent the largest known family of signal-transducing proteins and transmit signals for light and many extracellular regulatory molecules. GPCRs are dysfunctional or dysr...
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Theoretical study of the C3S molecule
For the most stable linear isomer of C3S in its X1Σ+ state a six-dimensional potential energy surface (PES) has been calculated ab initio by coupled cluster – connected triples (CCSD(T)) method. The analytic form...
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Protein voltammetry and spectroscopy: integrating approaches
Cyclic voltammetry readily visualizes the redox properties of many proteins. Net electron exchange between the protein and an electrode produces an electrical current that simultaneously quantitates and charac...
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Theoretical design of blue emitting materials based on symmetric and asymmetric spirosilabifluorene derivatives
Equilibrium ground state geometry configurations and their relevant electronic properties of four experimentally reported asymmetric spirosilabifluorene derivatives are calculated by the HF(DFT)/6-31G(d) metho...
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Salt flux crystal growth of the titanyl arsenate NaTiO[AsO4]
The titanyl arsenate NaTiO[AsO4] was synthesized in the form of colourless lath-shaped crystals from arsenic and titanium dioxide in a NaCl/KCl flux at 850 °C. NaTiO[AsO4] crystallizes with the monoclinic low-tem...
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Springing into action
Controlling the movements of molecular systems through external stimuli is crucial for the construction of nanoscale mechanical machines. A spring-like compound has now been prepared — a double helicate that r...
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Catalytic enantioselective syn hydration of enones in water using a DNA-based catalyst
The enantioselective addition of water to olefins in an aqueous environment is a common transformation in biological systems, but was beyond the ability of synthetic chemists. Here, we present the first exampl...
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Reversing the direction in a light-driven rotary molecular motor
Biological rotary motors can alter their mechanical function by changing the direction of rotary motion. Achieving a similar reversal of direction of rotation in artificial molecular motors presents a fundamen...
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Catalytic asymmetric carbon–carbon bond formation via allylic alkylations with organolithium compounds
Carbon–carbon bond formation is the basis for the biogenesis of nature's essential molecules. Consequently, it lies at the heart of the chemical sciences. Chiral catalysts have been developed for asymmetric C–...
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Application of chloroaluminate ionic liquid as catalyst and medium for the dealkylation of esters
Dealkylation of esters to carboxylic acids was performed using chloroaluminate ionic liquids (PyHBr/AlCl3, PyHCl/AlCl3, Me3NHCl/AlCl3, Et3NHCl/AlCl3) as catalyst and medium. The catalytic activity of PyHBr/AlCl3 ...
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The final frontier
Cross-coupling between a racemic secondary alkyl halide and an alkyl borane to produce an enantioenriched alkyl–alkyl product is one of the final substrate combinations to succumb to the synthetically powerful...
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Fuelling movement at the nanoscale
Autonomous propulsion of microparticles using catalytic olefin polymerization, and directional rotation of a molecule on a metal surface using electrons from the tip of a scanning tunnelling microscope.
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Engineering methylaspartate ammonia lyase for the asymmetric synthesis of unnatural amino acids
The redesign of enzymes to produce catalysts for a predefined transformation remains a major challenge in protein engineering. Here, we describe the structure-based engineering of methylaspartate ammonia lyase...
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Acyclic cucurbit[n]uril molecular containers enhance the solubility and bioactivity of poorly soluble pharmaceuticals
The solubility characteristics of 40–70% of new drug candidates are so poor that they cannot be formulated on their own, so new methods for increasing drug solubility are highly prized. Here, we describe a new...
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Ultrafast dynamics in the power stroke of a molecular rotary motor
Light-driven molecular motors convert light into mechanical energy through excited-state reactions. Unidirectional rotary molecular motors based on chiral overcrowded alkenes operate through consecutive photoc...
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Use of the interior cavity of the P22 capsid for site-specific initiation of atom-transfer radical polymerization with high-density cargo loading
Virus-like particles (VLPs) have emerged as important and versatile architectures for chemical manipulation in the development of functional hybrid nanostructures. Here we demonstrate a successful site-selecti...
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Synthesis, characterization and biological activities of N-acyl-3-(3-pyridyl)-5-aryl-pyrazoles
Ten novel N-acyl-3-(3-pyridyl)-5-aryl-pyrazoles were synthesized by Claisen condensation of the aryl methyl ketones with ethyl nicotinate, the cyclization with hydrazine hydrate and the N-acylation with acyl chlo...
