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At least 523 records · Page 29Linked to original sources
PubMed2005

Crystal-to-crystal transformation from tri- to mononuclear Cu(II) complex with a sugar-derived ligand via proton transfer reaction and rearrangement of hydrogen bonding networks.

Treatment of a glycosylamine derived Cu(II) complex with ethylamine resulted in crystal-to-crystal transformation from trinuclear complex [Cu3(L1)2(EtNH2)2(MeOH)2]x2MeOHxCHCl3 (2x2MeOHxCHCl3) to a dimeric structure of mononuclear complex [Cu(HL1)(EtNH2)] (3) through proton transfer reaction and rearrangement of hydrogen bonding networks.

Journal Article↗
PubMed2006

Dehydration of the nanoporous coordination framework ErIII[CoIII(CN)6].4(H2O): single crystal to single crystal transformation and negative thermal expansion in ErIII[CoIII(CN)6].

Desorption of bound and unbound water molecules from the nanoporous coordination framework ErIII[CoIII(CN)6].4(H2O) to form the apohost, ErIII[CoIII(CN)6], proceeds via a single crystal to single crystal transformation in which the Er(III) cations change from 8- to 6-coordinate; dehydration results in a striking change in the thermal expansion properties.

Journal Article↗
PubMed2000

Simulations of flow-induced director structures in nematic liquid crystals through leslie-ericksen equations. II. Interpretation Of NMR experiments in liquid crystal polymers

Computationally exact and approximate solutions of the Leslie-Ericksen equations for nematic liquid crystals in two dimensions are employed to calculate director distributions in cylindrical samples, rotating under the influence of a magnetic field. In particular, the time evolution of systems prepared initially in metastable states with respect to the magnetic field is investigated, and calculated director distributions are used to interpret rheo-NMR experiments in nematic liquid crystal polymers.

Journal Article↗
PubMed2000

Phase diagrams and morphology of polymer dispersed liquid crystals based on nematic-liquid-crystal-monofunctional-acrylate mixtures

Phase diagrams of unpolymerized and UV-polymerized 2-ethyl hexyl acrylate (EHA) mixtures with the liquid crystal E7 are established using optical microscopy and differential scanning calorimetry. Both diagrams show upper critical solution temperature behavior. From 50 to 90 wt % liquid crystal (LC), the (I+I) phase located between the (N+I) and (I) phases was clearly shown. The nematic phase inside the droplets exhibits a twisted radial structure indicating that homeotropic anchoring occurs at the polymer interface. The experimental phase diagrams were successfully analyzed using a model based on the Flory-Huggins theory of isotropic mixing supplemented with the Maier-Saupe theory of nematic order. The LC solubility limit in the polymer matrix and the fractional amount of LC contained in the droplets were deduced from the calorimetric measurements. For the specific composition EHA/E7 (50:50), the scattering and morphological properties of the films were studied as a function of time elapsed after UV exposure. Drastic changes in the size, shape, spatial distribution, and number density of nematic droplets were observed and analyzed in terms of coalescence/diffusion phenomena.

Journal Article↗
PubMed2004

Swelling dynamics of liquid crystal elastomers swollen with low molecular weight liquid crystals.

We experimentally investigated the swelling behavior of thin films (approximately 150 microm) of liquid crystalline elastomers (LCEs) by low molecular weight liquid crystals (LMWLCs). The two LMWLCs used are the well-known nematic liquid crystals, 4-n-pentyl-4-cyanobiphenyl, and 4-methoxy-benzilidene-4-butyl-aniline. Both polydomain (POLY) and monodomain (MONO) LCE swelling are studied. In MONO LCEs (LSCEs), the director n empty set is uniformly oriented throughout the film. POLY films are made of many domains with different orientations. Its swelling behavior was similar to isotropic gels. In contrast, LSCEs revealed interesting results not anticipated by any theory. First, the LMWLC enters the LSCE by front propagation about three-times faster axially n empty set than radially n empty set. Second, only the LSCE dimensions radially n empty set expanded, while that axially n empty set did not change at all. Third, when the LMWLC director and the LSCE director are aligned (MONO2 samples), swelling takes place about twice as fast as when they are not aligned. Volume change dynamics of swollen L(S)CEs investigated as a function of temperature revealed several phase transitions by optical and calorimetry techniques.

Journal Article↗
PubMed2005

Stokes parameter studies of spontaneous emission from chiral nematic liquid crystals as a one-dimensional photonic stopband crystal: experiment and theory.

The helical structure of uniformly aligned chiral nematic liquid crystals results in a photonic stopband for only one sense of circular polarization. The spectroscopic Stokes polarimeter is used to analyze spontaneous emission in the stopband. Highly polarized photoluminescence is found and the polarization properties vary with the excitation wavelength. Spontaneous emission is enhanced at the stopband edge and this Purcell effect is greater on excitation at wavelengths where the absorption coefficient is low. This is interpreted as greater overlap between the excited molecules and the electrical modal field of the resonant modes at the stopband edge. Photoluminescence detected from the excitation face of the liquid crystal cell is less polarized because of photon tunneling. Fermi's golden rule in conjunction with Stokes vectors is used to model the polarization of emission taking multiple reflections at the interfaces of the cell into account. The discrepancy between the experiment and the theoretical model is interpreted as direct experimental evidence that virtual photons, which originate from zero point fluctuations of quantum space, are randomly polarized.

Journal Article↗
PubMed2006

Electrically tuned phase transition and band structure in a liquid-crystal-infilled photonic crystal.

We studied a nematic liquid crystal (LC) cylinder under the action of an axial electric field E(0). Elaborate modeling of the free energy leads to the conclusion that the configuration of the molecules is "escaped radial" for low E(0); a phase transition, however, occurs for a critical value E(c), the configuration becoming axial for E(0) >E(c). From these results, the position-dependent dielectric tensor is determined and the photonic band (PB) structure is calculated for a photonic crystal of LC cylinders. It is shown that by varying E(0) a PB gap can be fully tuned from open to closed. Also, switching to a supercritical field can give rise to interesting polarization and directional effects in the propagation of light.

Journal Article↗
PubMed2000

Photoalignment of liquid crystals by liquid crystals

We observed light-induced alignment of the nematic liquid crystal, 4, 4(')-n-pentylcyanobiphenyl (5CB), on a fused quartz. Irradiation of the adsorbed layer with polarized ultraviolet light produced homogeneous alignment in a 5CB-filled liquid crystal cell with the easy orientation axis perpendicular to the polarization direction. The measured anchoring energy increases with illumination up to 10(-4) erg/cm (2). Phase retardation and pretilt measurements confirmed near homogeneous alignment of the LC in a cell, while the polarization dependence of second harmonic generation suggested a near normal alignment of the adsorbed layer. We believe that light-induced rearrangement or phototransformation of the adsorbed layer causes the observed phenomenon.

Journal Article↗
PubMed2005

Crystal structure and interaction dependence of the crystal-melt interfacial free energy.

We examine via molecular simulation the dependence of the crystal-melt interfacial free energy gamma on molecular interaction and crystal structure (fcc vs bcc) for systems interacting with inverse-power repulsive potentials, u(r)=epsilon(sigma/r)(n), 6< or =n< or =100. Both the magnitude and anisotropy of gamma are found to increase as the range of the potential increases. Also we find that gamma(bcc)<gamma(fcc), consistent with recent observations that some fcc forming fluids nucleate via formation of metastable bcc nuclei. The anisotropy in gamma is also seen to be smaller in the bcc systems. By extrapolation, we also obtain an improved estimate of gamma for hard spheres.

Journal Article↗
PubMed2003

Application of the 'lamellar crystal' approach to study X-ray interbranch scattering by a bent crystal.

The amplitudes of new and normal wavefields are obtained in the case of a slightly bent crystal using the 'lamellar crystal' approach. The physical mechanism of interbranch interaction, which proceeds from this approach, is interpreted in a simple physical manner. The fundamental set of the differential equations is derived to study interbranch scattering within the new representation called the 'eikonal representation'. It is supposed that, in the case of strong bending, an interbranch multiple process may be considered as a resonance one.

Journal Article↗
PubMed2005

Absolute measurement of lattice parameter in single crystals and epitaxic layers on a double-crystal X-ray diffractometer.

Details of the recently developed 'zone technique' for the absolute measurement of lattice parameter and strain in single-crystal solids and thin films are presented. The method is based on measuring X-ray rocking curves from a few equatorial planes within a suitable zone and correcting their peak positions at once with a single zero offset. In contrast to the comparative method, which usually requires use of two opposite azimuthal directions, those in the zone technique can often be completed in only one azimuthal setting. A typical strained layer in the cubic system can be fully and rapidly characterized with only three rocking curves. The technique is suitable for routine applications under typical laboratory conditions, and for high-precision measurements of nearly perfect crystals in a controlled environment, with a potential parts in 10 million accuracy. This degree of accuracy is a direct consequence of the zero offset correction procedure, which effectively cancels a large portion of the misalignment errors in the diffractometer. The use of the (n, -n) geometry substantially reduces the errors of eccentricity compared to the Bond technique, and its stronger reflections enable the measurement of small samples about 0.05 mm in length with relative ease. The technique is illustrated with examples, and its extension to the triple-axis (omega-2theta) instruments is discussed.

Journal Article↗
PubMed2002

CH3CN: X-ray structural investigation of a unique single crystal. beta --> alpha phase transition and crystal structure.

The phase transition from the low- (beta) to the high-temperature (alpha) form of acetonitrile, CH(3)CN, has been directly observed and studied on a unique single crystal. Both the beta and alpha structures have been determined at temperatures close to the transition temperature (206 K and 201 K), taking advantage of the hysteresis. A single crystal of the beta form was obtained for the first time.

Journal Article↗
PubMed2003

Single-crystal-to-single-crystal photodimerization of 4-chlorocinnamoyl-O,O'-dimethyldopamine.

[2+2]Photodimerization of the title compound, C(19)H(20)ClNO(3), has been observed in situ by single-crystal X-ray diffraction. Pairs of monomers related by centers of symmetry have parallel C=C bonds at a C.C distance of 4.155 (17) A. Irradiation of a single crystal with a mercury lamp achieves 100% conversion to the dimer. Redetermination of the structure during the course of the reaction revealed a linear correlation between the percent conversion to the dimer and the decrease in the cell Volume. The displacement parameters for the pure dimer structure are substantially smaller than those for the pure monomer structure. The dimerization reaction is also induced by irradiation with X-rays, the induction being stronger with Cu Kalpha than with Mo Kalpha radiation.

Journal Article↗
PubMed2003

Molecular and crystal properties of E-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal.

The crystal structure of E-1,2-bis(3-methoxy-2-thienyl)ethene (C12H12O2S2) has been determined at five different temperatures, i.e. room temperature (293), 223, 173, 123 and 93 K. The solid-state work is complemented by the results of theoretical calculations of energies, geometries, difference electron densities and atomic charges of the free molecule. Analysis revealed static disorder caused by a higher energy conformer of the title compound, probably contaminating the crystal during its growth. The results support the contention that the electrical properties are mainly governed by the carbon backbone.

Journal Article↗
PubMed2006

Tracking X-ray-derived redox changes in crystals of a methylamine dehydrogenase/amicyanin complex using single-crystal UV/Vis microspectrophotometry.

X-ray exposure during crystallographic data collection can result in unintended redox changes in proteins containing functionally important redox centers. In order to directly monitor X-ray-derived redox changes in trapped oxidative half-reaction intermediates of Paracoccus denitrificans methylamine dehydrogenase, a commercially available single-crystal UV/Vis microspectrophotometer was installed on-line at the BioCARS beamline 14-BM-C at the Advanced Photon Source, Argonne, USA. Monitoring the redox state of the intermediates during X-ray exposure permitted the creation of a general multi-crystal data collection strategy to generate true structures of each redox intermediate.

Bacterial Proteins↗
PubMed1990

Activation of a cryptic crystal protein gene of Bacillus thuringiensis subspecies kurstaki by gene fusion and determination of the crystal protein insecticidal specificity.

DNA hybridization with the insecticidal crystal protein gene cryllA (formerly cryBl) of Bacillus thuringiensis supspecies kurstaki has shown that subspecies kurstaki contains a cryllA-related sequence in addition to the cryllA gene (Donovan et al., 1988a). We have cloned the cryllA-related sequence and have determined that the sequence, which has been designated cryllB, is 89% identical to the cryllA gene. Recombinant B. thuringiensis cells harbouring the cloned cryllB gene produced very little CryllB protein. A high level of production of the CryllB protein was achieved by fusing the regulatory region of the crylllA crystal protein gene to the cryllB gene. The CryllB protein was found to be highly toxic to Lymantria dispar, Heliothis virescens and Trichoplusia ni, and was not toxic to Aedes aegypti.

Amino Acid Sequence↗
PubMed1999

Surfactant-mediated two-dimensional crystallization of colloidal crystals

Colloidal particles can form unexpected two-dimensional ordered colloidal crystals when they interact with surfactants of the opposite charge. Coulomb interactions lead to self-limited adsorption of the particles on the surface of vesicles formed by the surfactants. The adsorbed particles form ordered but fluid rafts on the vesicle surfaces, and these ultimately form robust two-dimensional crystals. This use of attractive Coulomb interaction between colloidal particles and surfactant structures offers a potential new route to self-assembly of ordered colloidal structures.

Journal Article↗
PubMed1979

Acquired lipidosis of marrow macrophages: birefringent blue crystals and Gaucher-like cells, sea-blue histiocytes, and grey-green crystals.

Three varieties of compound lipid inclusions occurring as a secondary phenomenon in marrow macrophages are detectable and distinguishable by Romanowsky staining, ultraviolet fluorescence, and polarised light. Birefringent blue crystals and Gaucher-like cells form one variety, sea-blue granules another, and grey-green crystals a third. All occur chiefly in myeloid leukaemias, either acute or chronic.

Birefringence↗