Discovery and frequency measurement of short-wavelength far-infrared laser emissions from optically pumped <Superscript>13</Superscript>CD<Subscript>3</Subscript>OH and CHD<Subscript>2</Subscript>OH

A three-laser heterodyne system was used to measure the frequencies of twelve previously observed far-infrared laser emissions from the partially deuterated methanol isotopologues ¹³CD₃OH and CHD₂OH. Two laser emissions, a 53.773 μm line from ¹³CD₃OH and a 74.939 μm line from CHD₂OH, have also been discovered and frequency measured. The CO₂ pump laser offset frequency was measured with respect to its center frequency for twenty-four FIR laser emissions from CH₃OH, ¹³CD₃OH and CHD₂OH. PACS 07.57.Hm; 42.55.Lt; 42.62.Eh     

Reactions on the dimethylphenylbenzacridinones. VI. Hydrogenation of ortho-nitrophenyl derivatives

Catalytic hydrogenation of o-nitrophenylbenz[a], benz[c], dibenz[a,h] and dibenz[a,g]acridinones using Pd/C as catalyst, at 60 psi of pressure, gave the hiterto unknown benzoquinoacridine N-oxides and benzo-pyranonaphthyridine N-oxides. The structure of all products was corroborated by ir, ¹H- and ¹³C-nmr and mass spectra data.     

Principles and recent developments in ultrasound contrast agents

The behaviour of gas bubbles and gas encapsulated spheres as echographic contrast agents is reviewed. Compared with rigid spheres, gas bubbles are superior scattering agents and they offer a number of useful properties which can be exploited in a variety of ways. The analysis of their velocity of sound, back-scatter intensity, second harmonic emission and resonant frequency opens up new perspectives in the development of contrast agents for echocardiographic research with potential clinical applications.     

Crystalline structure of polyamide 12 as revealed by solid‐state 13C NMR and synchrotron WAXS and SAXS

The crystalline structure of polyamide‐12 (PA12) was studied by solid‐state ¹³C nuclear magnetic resonance (NMR) as well as by synchrotron wide‐ and small‐angle X‐ray scattering (WAXS and SAXS). Isotropic and oriented PA12 showed different NMR spectra ascribed to γ‐ and γ′‐crystalline modifications, respectively. On the basis of the position of the first diffraction peak, the isotropic γ‐form and the oriented γ′‐form were shown to be with hexagonal crystalline lattice at room temperature. When heated, the two PA12 polymorphs demonstrated different behaviors. Above 140 °C, the isotropic γ‐PA12 partially transformed into α‐modification. No such transition was observed with the oriented γ′‐PA12 phase even after annealing at temperatures close to melting. A γ′–γ transition was observed here only after isotropization by melting point. Various structural parameters were extracted from the WAXS and SAXS patterns and analyzed as a function of temperature and orientation: the degree of crystallinity, the d‐spacings, the Bragg's long spacings, the average thicknesses of the crystalline (l_c) and amorphous (l_a) phases, and the linear crystallinity x_cl within the lamellar stacks. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 43: 3720–3733, 2005     

Highly edge‐connected detachments of graphs and digraphs

Let G = (V,E) be a graph or digraph and r : V → Z₊. An r‐detachment of G is a graph H obtained by ‘splitting’ each vertex ν ∈ V into r(ν) vertices. The vertices ν₁,…,ν_r(ν) obtained by splitting ν are called the pieces of ν in H. Every edge uν ∈ E corresponds to an edge of H connecting some piece of u to some piece of ν. Crispin Nash‐Williams 9 gave necessary and sufficient conditions for a graph to have a k‐edge‐connected r‐detachment. He also solved the version where the degrees of all the pieces are specified. In this paper, we solve the same problems for directed graphs. We also give a simple and self‐contained new proof for the undirected result. © 2003 Wiley Periodicals, Inc. J Graph Theory 43: 67–77, 2003     

COSMIC(90): An improved molecular mechanics treatment of hydrocarbons and conjugated systems

Summary Four modifications to the COSMIC molecular mechanics force field are described, which greatly increase both its versatility and the accuracy of calculated conformational energies. The Hill non-bonded van der Waals potential function has been replaced by a two-parameter Morse curve and a new H-H potential, similar to that in MM3, incorporated. Hydrocarbon energies in particular are much improved.A simple iterative Hückel pi-electron molecular orbital calculation allows modelling of conjugated systems. Calculated bond lengths and rotational barriers for a series of conjugated hydrocarbons and nitrogen heterocycles are shown to be as accurate as those determined by the MM2 SCF method.Explicit hydrogen-bonding potentials for H-bond acceptor-donor atom pairs have been included to give better hydrogen bond energies and lengths. The van der Waals radii of protonic hydrogens are reduced to 0.5 Å and the energy well depth is increased to 1.0 kcal mol^-1.Two new general atom types, N⁺ _sp ² and O^- _sp ³ , have been introduced which allow a wide variety of charged conjugated systems to be studied. A minimum of parameterisation is required, as the new types are easily included in the Hückel scheme which automatically adjusts bond and torsional parameters according to the defined bond-order relationships.