Selective synthesis of the C3v isomer of C60h18

[chemical structure: see text]. C60H18 has been produced by hydrogenation of C60 at 100 bar H2 pressure and 673 K for 10 h. We have investigated the crude material without any purification by use of 1H NMR, 13C NMR, and IR spectroscopy and Fourier transform ion cyclotron resonance mass spectrometry. We show that the crude material consists of 95% of the C3v isomer of C60H18.     

Metamagnetic phase transition of the antiferromagnetic Heisenberg icosahedron

The observation of hysteresis effects in single molecule magnets like Mn12-acetate has initiated ideas of future applications in storage technology. The appearance of a hysteresis loop in such compounds is an outcome of their magnetic anisotropy. In this Letter we report that magnetic hysteresis occurs in a spin system without any anisotropy, specifically where spins mounted on the vertices of an icosahedron are coupled by antiferromagnetic isotropic nearest-neighbor Heisenberg interaction giving rise to geometric frustration. At T = 0 this system undergoes a first-order metamagnetic phase transition at a critical field Bc between two distinct families of ground state configurations. The metastable phase of the system is characterized by a temperature and field dependent survival probability distribution.     

Competing spin phases in geometrically frustrated magnetic molecules

We identify a class of zero-dimensional classical and quantum Heisenberg spin systems exhibiting anomalous behavior in an external magnetic field B similar to that found for the geometrically frustrated kagome lattice of classical spins. Our calculations for the isotropic Heisenberg model show the emergence of a pronounced minimum in the differential susceptibility dM/dB at B(sat)/3 as the temperature T is raised from 0 K for structures based on corner-sharing triangles, specifically the octahedron, cuboctahedron, and icosidodecahedron. As the first experimental evidence we note that the giant Keplerate magnetic molecule {Mo(72)Fe(30)} (Fe(3+) ions on the 30 vertices of an icosidodecahedron) exhibits this behavior. For low T when B approximately B(sat)/3 two competing families of spin configurations exist of which one behaves magnetically "stiff" leading to a reduction of dM/dB.     

Effects of nonuniform illumination on implosion asymmetry in direct-drive inertial confinement fusion

Target areal density (rhoR) asymmetries in OMEGA direct-drive spherical implosions are studied. The rms variation / for low-mode-number structure is approximately proportional to the rms variation of on-target laser intensity / with an amplification factor of approximately 1/2(C(r)-1), where C(r) is the capsule convergence ratio. This result has critical implications for future work on the National Ignition Facility as well as OMEGA.     

Polynomial hulls and an optimization problem

We say that a subset of Cⁿ is hypoconvex if its complement is the union of complex hyperplanes. We say it is strictly hypoconvex if it is smoothly bounded hypoconvex and at every point of the boundary the real Hessian of its defining function is positive definite on the complex tangent space at that point. Let B_n be the open unit ball in Cⁿ.Suppose K is a C^∞ compact manifold in ∂B₁ × Cⁿ, n > 1, diffeomorphic to ∂B₁ × ∂B_n, each of whose fibers K_z over ∂B₁ bounds a strictly hypoconvex connected open set. Let K be the polynomialhull of K. Then we show that K∖K is the union of graphs of analytic vector valued functions on B₁. This result shows that an unnatural assumption regarding the deformability of K in an earlier version of this result is unnecessary. Next, we study an H^∞ optimization problem. If pis a C^∞ real-valued function on ∂B₁× Cⁿ, we show that the infimum γ_ρ = inf_ƒ∈H ^∞ (B₁)ⁿ ‖ρ(z, ƒ (z))‖_∞ is attained by a unique bounded ƒ provided that the set (z, w) ∈ ∂B₁ × C ⁿ|ρ(z, w) ≤ γ_ρ has bounded connected strictly hypoconvex fibers over the circle.     

Biological activities of pyridoacridines

This review consolidates biological activity data reported for pyridoacridine 1 molecules in the literature from 1983-2003 into several tables with brief discussions of assays used and results obtained. This review summarizes recent progress in structure activity relationships for analogues of amphimedine 2 and ascididemin 3 classes of pyridoacridines and correlates reported molecular mechanisms of action with biological activities.     

Towards quantum superpositions of a mirror

We propose an experiment for creating quantum superposition states involving of the order of 10(14) atoms via the interaction of a single photon with a tiny mirror. This mirror, mounted on a high-quality mechanical oscillator, is part of a high-finesse optical cavity which forms one arm of a Michelson interferometer. By observing the interference of the photon only, one can study the creation and decoherence of superpositions involving the mirror. A detailed analysis of the requirements shows that the experiment is within reach using a combination of state-of-the-art technologies.     

Electron capture dissociation and infrared multiphoton dissociation of oligodeoxynucleotide dications

We report electron capture dissociation (ECD) and infrared multiphoton dissociation (IRMPD) of doubly protonated and protonated/alkali metal ionized oligodeoxynucleotides. Mass spectra following ECD of the homodeoxynucleotides polydC, polydG, and polydA contain w or d "sequence" ions. For polydC and polydA, the observed fragments are even-electron ions, whereas radical w/d ions are observed for polydG. Base loss is seen for polydG and polydA but is a minor fragmentation pathway in ECD of polydC. We also observe fragment ions corresponding to w/d plus water in the spectra of polydC and d(GCATGC). Although the structure of these ions is not clear, they are suggested to proceed through a pentavalent phosphorane intermediate. The major fragment in ECD of d(GCATGC) is a d ion. Radical a- or z-type fragment ions are observed in most cases. IRMPD primarily results in base loss, but backbone fragmentation is also observed. IRMPD provides more sequence information than ECD, but the spectra are more complex due to extensive base and water losses. It is proposed that the smaller degree of sequence coverage in ECD, with fragmentation mostly occurring close to the ends of the molecules, is a consequence of a mechanism in which the electron is captured at a P=O bond, resulting in a negatively charged phosphate group. Consequently, at least two protons (or alkali metal cations) must be present to observe a w or d fragment ion, a requirement that is less likely for small fragments.     

Dissolved urate salts out calcium oxalate in undiluted human urine in vitro: implications for calcium oxalate stone genesis

Hyperuricosuria has long been documented as a predisposing factor to calcium oxalate (CaOx) stone pathogenesis. However, its mechanism is still without sound scientific foundation. Previously, we showed that hyperuricosuria, simulated by the addition of dissolved sodium urate, promotes the crystallization of CaOx. In the present study, we demonstrate that the urate's effect on the crystallization is attributable to its salting out CaOx from solution. Furthermore, analysis of urines revealed that their metastable limit decreased with increases in the product of the prevailing concentrations of calcium and urate: this has implications for CaOx stone genesis. We also outline anti-salting out strategies for future research for the prevention and/or treatment of CaOx calculi.