Theoretical study of cyclization of 2′-hydroxychalcone

The isomerization mechanism of 2′(OH)chalcone (1) in flavanone (2) was studied. The calculations were performed with the semiempirical method AM1, using totally optimized molecular geometries. A 6-step mechanism including several equilibrium states was proposed. It was concluded that: (a) At the conformational equilibrium of 1 there could be 43.9% of s-cis conformer; (b) The acid dissociation of 1 trans-s-trans is considerable; (c) The E_E, ΔH_f and net charges show that the rotation of ring A of 1 and the formation of ring C of 2 occurs without greater impairments; (d) Although the keto structure is the most stable one, the enolate of 2 is present in the reaction medium; (e) The conversion of enol of 2 in the keto form would be the limiting step of the analyzed isomerization rate.     

Corner spontaneous magnetization

Details are given of a new method allowing an exact calculation of the spontaneous magnetization in the corner as well as along the edge at an arbitrary distance of the corner for a rectangular planar Ising ferromagnet.     

A covariant quasipotential operator for a composite system of two scaler particles

A quasipotential operator for a system of two scalar particles, and also an integral equation and a normalization condition for the wave function of the connected state, are obtained by the method of two-time Green's functions in an explicitly covariant form. The cases are considered of scalar and electromagnetic interactions of particles of the system.Frantsiska Skoriny Gomel' State University. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 6, pp. 112–118, June, 1993.     

Rotational temperature and density measurements in a hypersonic flow by dual-line CARS

Rotational temperature and nitrogen number density are measured in the shock wave/boundary layer interaction region in the vicinity of a two-dimensional compression corner disposed in a low pressure, 55 K, Mach 10 hypersonic air flow. Spatially-resolved data are recorded using a nonlinear optical technique named dual-line coherent anti-Stokes Raman scattering (DLCARS). Averaged temperature and density profiles are compared with those predicted by a Navier-Stokes solver. Good agreement is found.     

Combined-modality treatment of adductor spasmodic dysphonia with botulinum toxin and voice therapy

A combined-modality treatment program consisting of botulinum toxin injection (Botox) and voice therapy was used to treat 17 subjects diagnosed with adductor spasmodic dysphonia (ADD SD). Ten subjects with ADD SD served as the control and were given Botox only. Voice therapy after Botox injection was directed toward reducing the hyperfunctional vocal behaviors, primarily glottal overpressure at voice onset and anterior-posterior squeezing. The results indicated that subjects who underwent combined-modality treatment maintained significantly higher mean airflow rates for significantly longer periods. Moreover, there was a carryover effect in these patients when they received Botox only. Adductor spasmodic dysphonia is treated most effectively when intrinsic laryngeal muscle spasms are reduced or eliminated by Botox injection and extrinsic hyperfunctional vocal behaviors are treated with voice therapy     

Magnetic-Field-Dependent Electronic Relaxation of Gd3+ in Aqueous Solutions of the Complexes [Gd(H2O)8]3+, [Gd(propane-1,3-diamine-N,N,N′,N′-tetraacetate)(H2O)2]−, and [Gd(N,N′-bis[(N-methylcarbamoyl)methyl]-3-azapentane-1,5-diamine-3,N,N′-triacetate)(H2O)] of interest in magnetic-resonance imaging

EPR Spectra have been measured for aqueous solutions of a series of Gd³⁺ complexes at variable temperature and a range of magnetic fields; S-band (0.14 T), X-band (0.34 T), Q-band (1.2 T), and 2-mm-band (5.0 T). The major contribution to the observed line widths is magnetic-field-dependent and is interpreted as being due to the modulation of the zero-field splitting produced by distortion of the complexes from perfect symmetry. The transverse and longitudinal relaxation matrices for an ⁸S ion with such an interaction have been calculated using Redfield theory with vector-coupling methods, and diagonalised numerically to obtain relaxation rates and intensities for the degenerate transitions which contribute to the multiplet. The observed line width, which is inversely proportional to the magnetic field at low temperatures, is best described by the intensity-weighted mean transverse relaxation time for the four transitions with non-zero intensity. A least-squares fit of the data yields the square of the zero-field splitting tensor, Δ², and a correlation time, τ_v, with activation energy, E_v. The physical significance of these parameters and the extent of validity of the theoretical approach are considered. The parameters are used to predict the magnetic-field dependence of the longitudinal and transverse electronic relaxation times, which are discussed in the context of their relevance to ¹H-NMR relaxivity.