Search results for "Crystallization"
showing 10 items of 774 documents
Crystallization and preliminary X-ray studies of oligandrin, a sterol-carrier elicitor fromPythium oligandrum
2000
Oligandrin is a 10 kDa acidic protein produced by the fungus micromycete Pythium oligandrum and is a member of the alpha-elicitin group, with sterol- and lipid-carrier properties. Oligandrin has been crystallized at 290 K using PEG 4000 as a precipitant. A cholesterol complex was obtained under the same conditions. The space group of the crystals at low temperature (100 K) is C222, with unit-cell parameters a = 94.0, b = 171.1, c = 55.3 A. Four molecules are present in the asymmetric unit. Data from the free and cholesterol-complexed forms were recorded at synchrotron sources to resolutions of 2.4 (uncomplexed) and 1.9 A (complexed), respectively.
Nucleation and Growth of CaCO3 Mediated by the Egg-White Protein Ovalbumin: A Time-Resolved in situ Study Using Small-Angle Neutron Scattering
2008
Mineralization of calcium carbonate in aqueous solutions starting from its initiation was studied by time-resolved small-angle neutron scattering (SANS). SANS revealed that homogeneous crystallization of CaCO 3 involves an initial formation of thin plate-shaped nuclei which subsequently reassemble to 3-dimensional particles, first of fractal and finally of compact structure. The presence of the egg-white protein ovalbumin leads to a different progression of mineralization through several stages; the first step represents amorphous CaCO 3, whereas the other phases are crystalline. The formation and dissolution of the amorphous phase is accompanied by Ca (2+)-mediated unfolding and cross-link…
The skeleton of the staghorn coral Acropora millepora: molecular and structural characterization.
2014
15 pages; International audience; The scleractinian coral Acropora millepora is one of the most studied species from the Great Barrier Reef. This species has been used to understand evolutionary, immune and developmental processes in cnidarians. It has also been subject of several ecological studies in order to elucidate reef responses to environmental changes such as temperature rise and ocean acidification (OA). In these contexts, several nucleic acid resources were made available. When combined to a recent proteomic analysis of the coral skeletal organic matrix (SOM), they enabled the identification of several skeletal matrix proteins, making A. millepora into an emerging model for biomi…
2-(1,3-Oxazolin-2-yl)pyridine and 2,6-bis(1,3-oxazolin-2-yl) pyridine
2018
The data presented in this article are related to research articles “Titanium and vanadium catalysts with oxazoline ligands for ethylene-norbornene (co)polymerization (Ochędzan-Siodłak et al., 2018). For the title compounds, 2-(1,3-oxazolin-2-yl)pyridine (Py-ox) and 2,6-bis(1,3-oxazolin-2-yl)pyridine (Py-box), the single-crystal X-ray diffraction measurement together with NMR, GC, MS, DSC analysis, like also the method of crystallization are presented. Keywords: Ligands, Oxazoline, Pyridine, Conformation, Association
Inter- and intramolecular motions in proteins
1992
The use of 57 Fe Mossbauer radiation allows the study of protein crystal dynamics by a time-resolved analysis of X-ray scattering. In myoglobin crystals, the main source of the root mean squared amplitude of motions come from intramolecular protein dynamics. Segments of the size of an α-helix move collectively. Long-range correlated motions give only a minor contribution. Comparison with Mossbauer absorption spectroscopy shows that protein-specific dynamics is frozaen out below 200 K and the lattice dynamics in mainly responsible for the low-temperature behavior
Effect of the phase behaviour of the solvent–antisolvent systems on the gas–antisolvent-crystallisation of paracetamol
2005
Abstract The influence of the phase behaviour of the solvent–antisolvent system on the process conditions for the gas–antisolvent process is investigated. The two fluids are modelled by the Peng–Robinson equation of state while the dissolved solid is described by a Clapeyron-type approach. Based on the correlation of the ternary system, a liquid–liquid immiscibility region has been found which hinders the proper crystallisation of the solute. A thorough investigation of the binary solvent–antisolvent system by the global phase diagram methods yields a criterion for the proper choice of the solvent. The crucial property turns out to be the distance of the solvent–antisolvent system from the …
Influence of the arrangement of the crystals and the structure of the noncrystalline regions on the mechanical properties of polyethylene terephthala…
2007
Amorphous samples of polyethylene terephthalate were stretched with different rates and stretching ratios at different temperatures. Afterwards they were crystallized. The arrangement of the crystals and the conformations of the chains in the noncrystalline regions were investigated by means of X-ray wide-angle scattering, X-ray small-angle scattering, birefringence measurements and nuclear magnetic resonance measurements. The influence of the morphological structure on the mechanical strength was determined. The stretching ratio itself generally does not characterize the orientation state. The structure obtained after crystallization depends mainly on the birefringence of the sample after …
Coarse Graining of Short Polythylene Chains for Studying Polymer Crystallization.
2015
We derive coarse-grained models of polyethylene in the melt state with the aim to study polymer crystallization. This requires a low level of coarse-graining: We use a mapping of two CH2 groups onto one bead. The coarse-grained beads are connected with harmonic springs, an optimized angular potential, and an optional torsional potential. Coarse-grained potentials are derived from detailed all-atom simulations, and an optimized form of the force field is then derived which achieves a good accuracy in reproducing the static properties of the chains. We address the question over which temperature range such models can be used, and in particular if the model is capable of reproducing the phase…
Simulation of Phase Transitions of Single Polymer Chains: Recent Advances
2006
The behaviour of a flexible polymer chain in solvents of variable quality in dilute solution is discussed both in the bulk and in the presence of an adsorbing wall. Monte Carlo simulations of coarse-grained bead-spring models and of the bond fluctuation model are presented and interpreted in terms of phenomenological theories and scaling concepts. Particular attention is paid to the behaviour of the polymer chain when the temperature of the polymer solution gets lower than the Theta temperature. It is argued that the adsorption transition line at the Theta temperature splits into lines of wetting and drying transitions of polymer globules attached to the wall. In addition, it is shown that …
The phase diagram of a single polymer chain: New insights from a new simulation method
2006
We present simulation results for the phase behavior of a single chain for a flexible lattice polymer model using the Wang-Landau sampling idea. Applying this new algorithm to the problem of the homopolymer collapse allows us to investigate not only the high temperature coil–globule transition but also an ensuing crystallization at lower temperature. Performing a finite size scaling analysis on the two transitions, we show that they coincide for our model in the thermodynamic limit corresponding to a direct collapse of the random coil into the crystal without intermediate coil–globule transition. As a consequence, also the many chain phase diagram of this model can be predicted to consist o…