Structures of two alkaline autoxidation products of BHA, a widely used antioxidant

In order to confirm the structures of the autoxidation products of 2-tert-butyl-4-methoxyphenol (BHA), X-ray crystallographic analyses have been undertaken. One of the products was converted to a dibenzoate, which was subjected to the analysis to establish the structure as the O ⁶,O ⁷-dibenzoyl derivative of (1R*,2R*,6S*,7S*,9R*)-4,9-di-tert-butyl-6,7-dihydroxytricyclo[5.2.2.0^{2, 6}]undec-4-ene-3,8,10-trione. Crystallographic analysis of the major isomer of the two isomeric products gave its structure as (E)-4-tert-butyl-2-(3-tert-butyl-4-oxocyclopent-2-en-1-ylidene)cyclopent-4-ene-1,3-dione, which also established the structure of the minor isomer as the corresponding (Z)-isomer.     

Control of diastereoselectivity in the crotylation and cinnamylation of aldehydes by the selection of ligands on allylic indium reagents

Diastereoselective couplings of salicylaldehyde, anisaldehyde and 2-pyridylaldehyde with crotyl- and cinnamylindium reagents were studied. The syl/anti selectivity was found to depend largely on the ligands on the indium atom of the allylic indium reagents. A syn-selective cinnamylation of salicylaldehyde was realized by the combination of cinnamyl acetate and indium(I) iodide, whereas an anti-selective coupling with salicylaldehyde was achieved by the indium trichloride/aluminium-mediated cinnamylation.     

Preparation of β-Cyclodextrin Derivatives Possessing Two Trimethylammonio Groups on Their Primary Hydroxy Sides as Chiral Guest Selectors

Three isomers of -cyclodextrin derivatives 2a–c possessing two trimethylammonio groups on their C(6) atoms were prepared by reaction of the corresponding regioisomers of diamino compounds with methyl iodide. These derivatives recognize chiral guests through three-point interactions composed of both Coulomb interactions by the two cationic moieties and hydrophobic interaction by the molecularcavity.     

Electrosynthesis of heteroatom bonds. 5. Direct cross-coupling of dialkylphosphites with amines by an iodonium ion-promoted electrolytic procedure

An efficient direct cross-coupling procedure of dialkylphosphites with amines by an iodonium ion-promoted electrolysis, givin N-substituted dialkyl phosphoramidates, has been proposed.     

Intensity-carrying modes important for vibrational polarizabilities and hyperpolarizabilities of molecules: derivation from the algebraic properties of formulas and applications

The intensity-carrying mode (ICM) theory is developed for analyzing the vibrational motions that mainly contribute to vibrational polarizabilities and hyperpolarizabilities, which are important for describing intermolecular electrostatic interactions and nonlinear optical properties of molecules. The ICMs are derived from dipole derivatives, polarizability derivatives, and first hyperpolarizability derivatives by using algebraic properties of intensity formulas. The way to obtain explicit forms of ICMs, including the optimization method of the basis of the ICM vector space, is discussed in detail. One- and two-dimensional models are constructed on the basis of the ICMs. The theory is applied to three molecules (a push-pull type polyene, a streptocyanine dye cation, and a symmetric neutral polyene) taken as typical examples. It is shown that the ICM theory provides a reasonable picture on the vibrational polarization properties of these molecules. On the basis of this result, the validity of the valence-bond charge transfer (VB-CT) model, which is a one-dimensional model and is widely used to describe the electronic and vibrational properties of dye molecules, is also discussed.     

Generation and consumption rates of OH radicals in sonochemical reactions

In this study, a KI aqueous solution or Methyl Orange (MO) aqueous solution was irradiated by an ultrasonic wave under the same experimental condition. The rates of oxidation of KI and MO by OH radicals differed by an order of magnitude. When the consumption of OH radicals by chemical reactions with species other than KI or MO is taken into account, numerical analysis of chemical kinetics model yields the same generation rate of OH radicals by the action of an ultrasonic wave for the experiments of KI and MO solutions.     

The hemodynamic study of the cerebral artery using numerical simulations based on medical imaging data

The paper aims to investigate effects of blood vessel geometry on hemodynamics of the cerebral artery, particularly the internal carotid artery using computer graphics. The medical statistics show that generation and rupture of the cerebral aneurysms is strongly correlated with the wall shear stress and flow patterns in the blood vessel. In order to provide better understanding of phenomena, the paper presents the numerical analysis system, which consists of pre-processing, simulation and postprocessing. In the pre-processing, the medical imaging data, mainly CT (Computerized Tomographic) angiography, are used to construct the three-dimensional geometry of the artery. Various simulations are carried out varying curvature or location of bifurcation, and the results are visualized to investigate geometry effect.     

Pulsed polarization gradient cooling in an optical dipole trap with a Laguerre-Gaussian laser beam

We utilized a blue-detuned Laguerre-Gaussian (doughnut) laser beam to trap cold rubidium atoms by optical dipole force. ”Pulsed” polarization gradient cooling was applied to the trapped atoms to suppress the trap loss due to heating caused by random photon scattering of the trapping light. In this trap about 10⁸ atoms were initially captured and the trap lifetime was 1.5 s, which was consistent with losses due to background gas collisions. This trap can readily be applied to atom guiding, compression, and evaporative cooling. Received: 10 July 1997 / Received in final form: 5 January 1998 / Accepted: 16 January 1998     

Regular and Black Hole Skyrmions with Axisymmetry

It has been known that a B=2 skyrmion is axially symmetric. We consider the Skyrme model coupled to gravity and obtain static axially symmetric regular and black hole solutions numerically. Computing the energy density of the skyrmion, we discuss the effect of gravity to the energy density and baryon density of the skyrmion.