Search results for "Random hexamer"
showing 10 items of 16 documents
A Precursor Route to Supramolecular Oligo(p-phenylene terephthalamide) Block Copolymers
2008
New soluble precursors for the step-wise synthesis of oligo(p-phenylene terephthalamide) block copolymers are described. Kevlar-like aramide oligomers up to the hexamer (six phenyl groups) were prepared in a polymer-analogous manner. Activating the carboxylic-acid-carrying oligomers as carbonyl chlorides while reversibly transforming the aromatic amides into imidoyl chlorides gave access to soluble precursors. The dimer and tetramer precursor were prepared and used in block copolymer synthesis. Single-crystal XRD confirmed the structure of the dimer precursor. Above a critical rod length, the Kevlar-like rod-coil block copolymers show strong aggregation in non-polar solvents such as chlorof…
Surprising solvent-induced structural rearrangements in large [N⋯I+⋯N] halogen-bonded supramolecular capsules
2018
Coordinative halogen bonds have recently gained interest for the assembly of supramolecular capsules. Ion mobility-mass spectrometry and theoretical calculations now reveal the well-defined gas-phase structures of dimeric and hexameric [N...I+...N] halogen-bonded capsules with counterions located inside their cavities as guests. The solution reactivity of the large hexameric capsule shows the intriguing solvent-dependent equilibrium between the hexamer and an unprecedented pentameric [N...I+...N] halogen-bonded capsule, when the solvent is changed from chloroform to dichloromethane. The intrinsic flexibility of the cavitands enables this novel structure to adopt a pseudo-trigonal bipyramida…
Structures of collagen IV globular domains: insight into associated pathologies, folding and network assembly
2018
15 páginas, 6 figuras, 1 tabla.
Quaternary and subunit structure of Calliphora arylphorin as deduced from electron microscopy, electrophoresis, and sequence similarities with arthro…
1992
Arylphorin was purified from larvae of the blowfly Calliphora vicina and studied in its oligomeric form and after dissociation at pH 9.6 into native subunits. In accordance with earlier literature, it was electrophoretically shown to be a 500 kDa hexamer (1 x 6) consisting of 78 kDa polypeptides (= subunits). Electron micrographs of negatively stained hexamers show a characteristic curvilinear, equilateral triangle of 12 nm in diameter (top view) and a rectangle measuring 10 x 12 nm (side view). Alternatively, particles in the top view orientation exhibit a roughly circular shape 12 nm in diameter. Crossed immunoelectrophoresis revealed the presence of a major subunit type; the nature of a …
Ethyl Pyrogallarene and Pyrogallarene: Synthesis, Structural Analysis and Derivatization
2004
In the acid-catalyzed synthesis of ethyl pyrogall[4]arene, a novel hexamer, ethyl pyrogall[6] arene, is obtained as a readily isolable minor product. Pyrogall[6]arene can be isolated from the reaction mixture in three different ways yielding the hexamer in different forms and stabilities. Crystallization from DMSO and then recrystallization from acetone gives a stable crystalline solid, recrystallization directly from acetone yields an unstable white powder, while direct recrystallization from THF gives a stable white powder. Both pyrogall[4]arene and pyrogall[6]arene crystallize readily with DMSO filling the voids in the crystal lattice. Co-crystallization studies of the hexamer isolated b…
Spin-coupling topology in the copper hexamer compounds A2Cu3O(SO4)3 (A=Na, K)
2020
The compounds ${A}_{2}\mathrm{C}{\mathrm{u}}_{3}\mathrm{O}{(\mathrm{S}{\mathrm{O}}_{4})}_{3}$ $(A=\mathrm{Na},\phantom{\rule{0.16em}{0ex}}\mathrm{K})$ are characterized by copper hexamers that are weakly coupled to realize antiferromagnetic order below ${T}_{N}\ensuremath{\approx}3\phantom{\rule{0.16em}{0ex}}\mathrm{K}$. They constitute quantum spin systems with $S=1$ triplet ground states. We investigated the energy-level splittings of the copper hexamers by inelastic neutron scattering experiments covering the entire range of the magnetic excitation spectra. The observed transitions are governed by very unusual selection rules that we ascribe to the underlying spin-coupling topology. This…
Cockroach allergens Per a 3 are oligomers
2009
Allergens from cockroaches cause major asthma-related health problems worldwide. Among them Per a 3 belongs to the most potent allergens. Although the sequences of some members of the Per a 3-family are known, their biochemical and biophysical properties have not been investigated. Here we present for the first time a thorough structural characterization of these allergens, which have recently been tested to induce an increase of allergy specific indicators in blood of Europeans. We isolated two Per a 3 isoforms, which occur freely dissolved in the hemolymph as hexamers with molecular masses of 465+/-25kDa (P II) and 512+/-25kDa (P I). Their sedimentation coefficients (S(20,W)) were determi…
Thermodynamically driven self-assembly of pyridinearene to hexameric capsules
2019
Pyridinearene macrocycles have previously shown unique host–guest properties in their capsular dimers including endo complexation of neutral molecules and exo complexation of anions. Here, we demonstrate for the first time the formation of hydrogen bonded hexamer of tetraisobutyl-octahydroxypyridinearene in all three states of matter – gas phase, solution and solid-state. Cationic tris(bipyridine)ruthenium(II) template was found to stabilize the hexamer in gas phase, whereas solvent molecules do this in condensed phases. In solution, the capsular hexamer was found to be the thermodynamically favoured self-assembly product and transition from dimer to hexamer occurred in course of time. The …
Formation and Transformations of Organic Salt Hydrates: Four Encenicline Hydrochloride Monohydrates and Respective Isostructural Desolvates
2018
Encenicline hydrochloride (Enc-HCl) crystallizes in four different monohydrate phases, but at the same time crystallization in a nonsolvated phase is not observed, indicating that water plays a crucial role in guiding the crystallization process and ensuring structure stability. All monohydrate phases show exceptionally high stability, and the main structural motif stays intact even after dehydration, leading to isostructural (for I and II) or isomorphic (for III) desolvates. Three monohydrate phases with determined crystal structure information consists of Enc-HCl-water hexamers that are stacked into similar slabs, that are further packed identically in monohydrates I, II, and III. The fea…
Ab initio determination of the ionization potentials of water clusters (H2O)n (n = 2-6).
2012
High-level quantum-chemical ab initio coupled-cluster and multiconfigurational perturbation methods have been used to compute the vertical and adiabatic ionization potentials of several water clusters: dimer, trimer, tetramer, pentamer, hexamer book, hexamer ring, hexamer cage, and hexamer prism. The present results establish reference values at a level not reported before for these systems, calibrating different computational strategies and helping to discard less reliable theoretical and experimental data. The systematic study with the increasing size of the water cluster allows obtaining some clues on the structure and reductive properties of liquid water.