Monte carlo simulations for blue-phase structure in liquid crystals

Blue-phase liquid crystals form three-dimensional structures in a self-organizing manner and are similar to living tissue structures such as the teeth of mice and collagen tissues. This study presents numerical results regarding the conditions under which blue-phase liquid crystals occur. The Monte Carlo simulations are performed by employing an improved Lennard–Jones potential that considers anisotropy and chirality. The conditions for the formation of the blue phase, which vary with respect to the chirality, are examined first. The relationship between the anisotropic parameters and the chiral parameter for the formation of the blue phase is discussed. Identical blue-phase structures are obtained, even when the cell size and molecular number are varied drastically. This discussion is useful for considering the scale-up problem, which is almost always a difficult issue for molecular-scale simulations.     

Synthesis of axinohydantoins

A short synthesis of the hydantoin-containing marine sponge metabolites axinohydantoins is described. A key feature of the synthesis is a putative biomimetic, intramolecular cyclization of alpha-functionalized imidazolone 5, which affords the tricyclic pyrroloazepinone framework comprising 6. In addition, the conversion of imidazolones to alpha,beta-unsaturated hydantoins is outlined and represents a new approach to these heterocyclic systems.     

Reaction of o-oxazolinylphenyllithium with carbon monoxide. Carbonylative cyclization via an aroyllithium intermediate

The carbonylation of a phenyllithium containing an oxazoline group at the ortho position, followed by quenching with water, afforded a tricyclic compound, 3,3-dimethyl-2,3-dihydrooxazolo[2, 3-a]isoindol-5(9bH)-one, in 91% yield. This reaction proceeded via an intramolecular cyclization of the aroyllithium species, to give the tricyclic dienolate. Treatment of the tricyclic dienolate with electrophiles, such as alkyl halides, aldehydes, ketones, and epoxides gave the substituted oxazolo[2,3-a]isoindolinones in good yield.     

Synthesis of novel liquid crystals having the perfluoropyrrolidino group

Novel liquid crystals which have the perfluoropyrrolidino group, a heterocyclic perfluoroalkyl group, and which show smectic phases have been synthesized with perfluoro-(2-pyrrolidinopropionyl fluoride) as one of the starting materials. Analogues with a polymerizable functional group also have been prepared and polymerized to give side chain liquid crystal polymers.     

Electro-optic properties of liquid crystal phase gratings and their simulation using a homogeneous alignment model

Electro-optic properties of liquid crystal phase gratings (LCPGs), regarding groove depth, temperature and a cell gap, have been studied. The off response times are proportional to the square of the groove depth. The transmitted light colour depends on temperature. When there is a gap between the grating and the opposite substrate, their transmittance-voltage curve has a maximum and a minimum. The authors have also simulated the LCPG properties using a homogeneous alignment model. The simulating results coincide with experimental results; therefore the simulation method is considered useful to predict LCPG properties.     

(15N) acetamide in polar solvents: Hindered internal rotation and intermolecular interactions

The ¹H spectrum of (¹⁵N)acetamide has been measured in dimethyl sulphoxide (DMSO), methyl propyl ketone (MPK), 1,3-dioxane, 1,4-dioxane, D₂O, acetonitrile and pyridine-d₅ at various temperature intervals within the range of 278–343 K. From the temperature dependence of the NMR spectra of the amide protons, the free energy of activation, ΔG^≠, for hindered rotation about the central C? N bond was determined by means of total line shape analysis in the four solvents DMSO, MPK and the two dioxanes. Observed values of ΔG^≠ (298 K) (72.7 in DMSO, 70.1 in MPK, 70.0 in 1,3-dioxane and 70.1 kJ mol¹ in 1,4-dioxane) were not very sensitive to the choice of solvent or concentration. The concentration dependence of the internal chemical shift between the amide protons was studied in MPK, D₂O, acetonitrile and pyridine-d₅. The free energy of activation and the internal chemical shift are discussed on the basis of solvent-amide and amide–amide specific hydrogen bonding interactions, and in comparison to the results of molecular orbital calculations.     

Unsteady Falkner-Skan flow

Zusammenfassung Mittels des Differenzenverfahrens wurden instationäre, laminare Grenzschichten längs eines Keiles (von verschiedenen Keilwinkeln ) gerechnet, der plötzlich aus der Ruhe herausbewegt wird. Es ist bemerkenswert, daß im Fall >0.6 die Grenzschicht an der betreffenden Stelle der Keilwand bereits vor der Ankunft der an der Vorderkante entstehenden Störungen fast stationär wird, und daß, wenn die -Zahl sich dem Wert –0.1988 nähert, es doch eine beträchtliche Zeit braucht vom Vorüberziehen dieser Störungen bis zum Erreichen des stationären Zustandes der Grenzschicht.     

A novel type secoiridoid glucoside,hydrangenoside a from Hydrangea macrophylla

Hydrangenoside A, isolated along with its three congeners from Hydrangea macrophylla, was proved to have a novel type of structure which is thought to be biosynthesized through an aldol-type condensation of secologanin with a unit formed by the shikimate-malonate route followed by decarboxylation.     

Photon number squeezing of ultrabroadband laser pulses generated by microstructure fibers

To the best of our knowledge, we demonstrate for the first time the generation of photon number squeezing by spectral filtering for ultrabroadband light generated by microstructure fibers at 800 nm. A maximum squeezing of 4.6 dB is observed, corresponding to 10.3 dB after correcting for detection losses. We numerically analyzed the quantum dynamics of ultrashort laser pulse propagation through optical fibers by solving a nonlinear quantum Schr?dinger equation that included Raman scattering, especially for the quantum correlation of photon number fluctuation among frequency modes in broadband pulses.     

Compaction of single-chain DNA by histone-inspired nanoparticles

We elaborated a versatile experimental model of chromatin which consists of a single chain of long duplex DNA that interacts with well-defined cationic nanoparticles of various sizes. We found that the DNA compaction by nanoparticles is stepwise and progressive at the single-chain level. It is controlled by the ability of DNA to wrap nanoparticles, which is more efficient for larger particles and, similar to DNA-histone interaction, is optimal at a physiological salt concentration.