Adsorption and diffusion of argon in disordered nanoporous carbons

Application-specific optimization of disordered nanoporous carbons remains a formidable challenge due to the difficulty in accurately characterizing their microstructures with current empirical methods. Using molecular simulation techniques, we investigated the adsorptive and diffusive behavior of argon in three models of disordered nanoporous carbons. We found that the structural and morphological differences between these models gave rise to distinct phenomenological properties. The adsorptive behavior of argon in both the low and high pressure regimes was enhanced dramatically in the models with more crystalline microstructures. As for dynamic properties, we found that the adsorbent’s structure and energetic topology significantly alters the rates of diffusion as well as the characteristics of the underlying diffusion mechanisms.     

Using an iterative linear solver in an interior-point method for generating support vector machines

This paper concerns the generation of support vector machine classifiers for solving the pattern recognition problem in machine learning. A method is proposed based on interior-point methods for convex quadratic programming. This interior-point method uses a linear preconditioned conjugate gradient method with a novel preconditioner to compute each iteration from the previous. An implementation is developed by adapting the object-oriented package OOQP to the problem structure. Numerical results are provided, and computational experience is discussed.     

A recyclable chiral Ru catalyst for enantioselective olefin metathesis. Efficient catalytic asymmetric ring-opening/cross metathesis in air

The synthesis and structure of a new chiral bidentate imidazolinylidene ligand and a derived chiral Ru-based carbene are disclosed. The Ru complex is stereogenic at the metal center; it can be prepared in >98% diastereoselectivity and purified by silica gel chromatography with undistilled solvents. The air-stable Ru complex efficiently catalyzes ring-closing and ring-opening metathesis and is recyclable. The chiral complex is highly effective (0.5-10 mol % loading) in promoting enantioselective ring-opening/cross metathesis reactions (up to >98% ee). These enantioselective transformations can be effected in air, with unpurified solvent and with substrates that would only polymerize with Mo-based catalysts.     

Study of an ultrahigh-numerical-aperture fiber continuum generation source for optical coherence tomography

The axial resolution of optical coherence tomography images is primarily dependent on the bandwidth of the illumination source. Continuum generation is one way to generate the single-mode, high-bandwidth light needed for point illumination. We present an inexpensive and easy-to-implement augmentation to a Ti:sapphire laser that widens the bandwidth from 20 to over 200 nm with commerically available ultrahigh-numerical-aperture fiber. This technique can provide a readily available broad-bandwidth source for researchers and a practical enhancement to a fiber-optic optical coherence tomography system.     

Equivariant Riemann–Roch for G ‐Quasi‐Projective Varieties‐I

Let G denote a complex linear algebraic group. In this paper we establish several forms of equivariant Riemann–Roch valid for the category of Gquasiprojective complex varieties. The main application is to the operation of convolution that appears in the construction of modules over convolution algebras, for example the Hecke algebras associated to a complex reductive group as well as in the representation theory of quantum groups. The paper concludes with a discussion of some of these applications. The results in this paper hold mostly at the level of Grothendieck groups. The second part of this paper will discuss the extension to higher Ktheory in detail.     

The synthesis of a leukotriene with SRS-like activity

The synthesis and biological characteristics of an SRS-like leukotriene are described.     

Dephasing maps for quantum stochastic systems

Stochastic time evolution in a nonseparable and nonintegrable quantum system is manifested by rapid dephasing of gaussian wavepackets, whose topological distribution in the coordinate-momentum space defines its irregular regions, while wavepackets initiated in regular regions exhibit quasiperiodic evolution. A gradual transition from quasiperiodic to chaotic dynamics with increasing energy is observed.     

Silver(I)-catalyzed addition of zirconocenes to glycal epoxides. A new synthesis of alpha-C-glycosides

[reaction: see text] Hydrozirconation of terminal alkynes, followed by AgClO4-catalyzed in situ addition of the resultant alkenylzirconocenes to 1,2-anhydrosugars (glycal epoxides) leads to alpha-C-glycosides in moderate to high yields.     

Self-assembling porphyrin-modified peptides

[structure: see text] We report the synthesis and characterization of a novel supramolecular assembly that features long-range electronic coupling between porphyrins covalently attached to a designed peptide scaffold. The resulting construct self-assembles to form extended organized aggregates in which the porphyrins engage in exciton coupling.