Gauge equivalence and inverse scattering for long-range magnetic potentials

For Schrödinger operators with long-range magnetic vector potentials and short range electric scalar potentials in an exterior domain Ω in R ⁿ with n ? 2, we show that there is a one-to-one correspondence between the gauge equivalent classes of Hamiltonians and those of S-matrices if Ω is exterior to a bounded convex obstacle.     

Do specular highlights and the daylight locus act as cues for estimating illumination color from a single object?

Optical Review - Specular highlights on the surface of an object can serve as cues for estimating illumination color, because highlights on many objects directly reflect illumination colors. In...     

Forward and inverse scattering on manifolds with asymptotically cylindrical ends

We study an inverse problem for a non-compact Riemannian manifold whose ends have the following properties: On each end, the Riemannian metric is assumed to be a short-range perturbation of the metric of the form ²(dy)+h(x,dx), h(x,dx) being the metric of some compact manifold of codimension 1. Moreover one end is exactly cylindrical, i.e. the metric is equal to ²(dy)+h(x,dx). Given two such manifolds having the same scattering matrix on that exactly cylindrical end for all energies, we show that these two manifolds are isometric.     

Microwave spectrum of 15N16O2 in the ground state

¹⁵NO₂ (88 lines) in the ground state has been observed in the microwave spectral region up to 170 GHz. The least squares analysis gave the higher order distortion terms of rotational and spin-rotational Hamiltonian.     

Formulation development of a filter-sterilizable lipid emulsion for lipophilic KW-3902, a newly synthesized adenosine A1-receptor antagonist

KW-3902 (a newly synthesized adenosine A1-receptor antagonist) has potent diuretic and renal protective activities. The objective of the present study was to develop an injectable formulation of KW-3902, that was water-insoluble and less than 1 microg/ml, and so lipid emulsion was selected as a favorable formulation. Changing the mixing ratio of oil to lecithin, the particle size of the lipid emulsion was controlled, and by adjusting the mixing ratio of oil/lecithin=1:1, the weight ratio, a lipid emulsion with a mean particle size of 130 nm was prepared. This small particle size makes this emulsion filter-sterilizable, which is a favorable feature for heat labile products. The stability of the KW-3902 lipid emulsion was assessed from the viewpoint of the electrostatic repulsion, and by including the oleic acid a stable lipid emulsion was developed, which was stable for at least 12 months at 10 and 25 degrees C and for 3 months at 40 degrees C. The feature of this small particle size emulsion was also characterized by comparing it with a conventional emulsion (oil/lecithin=1:0.12, the weight ratio, particle size is 220 nm). The release of KW-3902 from the oil particles was measured and the apparent permeability of KW-3902 was calculated from the equation according to Fick's theory. The apparent permeability, P, of KW-3902 was not affected by the particle size of the emulsion (1.78x10(-11) cm/s for the small emulsion and 1.76x10(-11)cm/s for the conventional emulsion). The distribution mode of KW-3902 in the lipid emulsion was also discussed by considering the findings of the permeability and solubility of KW-3902.     

Limit of the Surface-Color Mode Perception under Non-Uniform Illuminations

A series of experiments were conducted to find the effects of non-uniform illumination on the surface-color mode perception. Two patterns of the illumination, one-sided illumination and a spotlight, were simulated. Observers adjusted the luminance of the test stimulus so that it just started to appear partially as an aperture-color mode. We found that the upper-limit luminance was significantly lower for all test colors when the directions of the gradient between the test stimulus and the surrounds did not match. On the other hand, in the spotlight conditions the upper-limit luminances changed only when it was contained in the spotlighted area. Our results suggest that the brightest stimulus in the scene does not work as a cue, and that the visual system takes the influence of illumination into account in order to set a criterion for the judgment for the color appearance of the mode.     

Hydrogen bonding between aromatic H and F groups leading to a stripe structure with R‐ and S‐columns: the crystal structure of (2,7‐dimethoxynaphthalen‐1‐yl)(3‐fluorophenyl)methanone and comparison with its 1‐aroylnaphthalene analogues

In the molecule of (2,7‐dimethoxynaphthalen‐1‐yl)(3‐fluorophenyl)methanone, C₁₉H₁₅FO₃, (I), the dihedral angle between the plane of the naphthalene ring system and that of the benzene ring is 85.90 (5)°. The molecules exhibit axial chirality, with either an R‐ or an S‐stereogenic axis. In the crystal structure, each enantiomer is stacked into a columnar structure and the columns are arranged alternately to form a stripe structure. A pair of (methoxy)C—H...F hydrogen bonds and π–π interactions between the benzene rings of the aroyl groups link an R‐ and an S‐isomer to form a dimeric pair. These dimeric pairs are piled up in a columnar fashion through (benzene)C—H...O=C and (benzene)C—H...OCH₃ hydrogen bonds. The analogous 1‐benzoylated compound, namely (2,7‐dimethoxynaphthalen‐1‐yl)(phenyl)methanone [Kato et al. (2010). Acta Cryst. E 66 , o2659], (II), affords three independent molecules having slightly different dihedral angles between the benzene and naphthalene rings. The three independent molecules form separate columns and the three types of column are connected to each other via two C—H...OCH₃ hydrogen bonds and one C—H...O=C hydrogen bond. Two of the three columns are formed by the same enantiomeric isomer, whereas the remaining column consists of the counterpart isomer. In the case of the fluorinated 1‐benzoylated naphthalene analogue, namely (2,7‐dimethoxynaphthalen‐1‐yl)(4‐fluorophenyl)methanone [Watanabe et al. (2011). Acta Cryst. E 67 , o1466], (III), the molecular packing is similar to that of (I), i.e. it consists of stripes of R‐ and S‐enantiomeric columns. A pair of C—H...F hydrogen bonds between R‐ and S‐isomers, and C—H...O=C hydrogen bonds between R(or S)‐isomers, are also observed. Consequently, the stripe structure is apparently induced by the formation of R...S dimeric pairs stacked in a columnar fashion. The pair of C—H...F hydrogen bonds effectively stabilizes the dimeric pair of R‐ and S‐enantiomers. In addition, the co‐existence of C—H...F and C—H...O=C hydrogen bonds makes possible the formation of a structure with just one independent molecule.     

Real-time observation of intramolecular proton transfer in the electronic ground state of chloromalonaldehyde: an ab initio study of time-resolved photoelectron spectra

The authors report on studies of time-resolved photoelectron spectra of intramolecular proton transfer in the ground state of chloromalonaldehyde, employing ab initio photoionization matrix elements and effective potential surfaces of reduced dimensionality, wherein the couplings of proton motion to the other molecular vibrational modes are embedded by averaging over classical trajectories. In the simulations, population is transferred from the vibrational ground state to vibrationally hot wave packets by pumping to an excited electronic state and dumping with a time-delayed pulse. These pump-dump-probe simulations demonstrate that the time-resolved photoelectron spectra track proton transfer in the electronic ground state well and, furthermore, that the geometry dependence of the matrix elements enhances the tracking compared with signals obtained with the Condon approximation. Photoelectron kinetic energy distributions arising from wave packets localized in different basins are also distinguishable and could be understood, as expected, on the basis of the strength of the optical couplings in different regions of the ground state potential surface and the Franck-Condon overlaps of the ground state wave packets with the vibrational eigenstates of the ion potential surface.     

Conformations of 2-aminoindan in a supersonic jet: the role of intramolecular N-H...pi hydrogen bonding

Laser-induced fluorescence (LIF), dispersed fluorescence (DF), mass-resolved one-color resonance enhanced two-photon ionization (RE2PI) and UV-UV hole-burning spectra of 2-aminoindan (2-AI) were measured in a supersonic jet. The hole-burning spectra demonstrated that the congested vibronic structures observed in the LIF excitation spectrum were responsible for three conformers of 2-AI. The origins of the conformers were observed at 36931, 36934, and 36955 cm(-1). The DF spectra obtained by exciting the band origins of the three conformers showed quite similar vibrational structures, with the exception of the bands around 600-900 cm(-1). The molecular structures of the three conformers were assigned with the aid of ab initio calculations at the MP2/6-311+G(d,p) level. An amino hydrogen of the most stable conformer points toward the benzene ring. The stability of the most stable conformer was attributed to an intramolecular N-H...pi hydrogen bonding between the hydrogen atom and the pi-electron of the benzene ring. The other two conformers, devoid of intramolecular hydrogen bonding, were also identified for 2-AI. This suggests weak hydrogen bonding in the most stable conformer. The intramolecular N-H...pi hydrogen bonding in 2-AI was discussed in comparison with other weak hydrogen-bonding systems.