Structure and catalytic activity of some soluble polyethylene glycol-peptide conjugates

Soluble catalysts for the Juliá-Colonna asymmetric epoxidation reaction have been constructed in three different ways, using NH₂-PEG-OMe as the support system: suitable solvents have been identified and it is shown that the degree of helicity of the conjugates correlates with the extent of conversion and (to a lesser extent) the enantioselectivity of epoxidation.     

Study of ferroelectric switching by domain-wall induced light scattering

Measurements of 90°-scattering of weak laser light are used to investigate pulsed domain switching in ferroelectrics. The studies were performed on strontium-barium niobate (SBN) single crystals. A good agreement of the switching parameters estimated from the optical measurements with those obtained by means of conventional electrical methods proves the validity of the optical method for switching studies. Due to the limited scattering volume in all three spatial dimensions, the method facilitates local probing of the switching within the crystal bulk. In particular, local specialities of the domain density can be detected. Furthermore, the excellent time resolution inherent in optical probing techniques allows for a comprehensive study of the dynamics.     

Vessel Arrival Process and Queueing in Marine Ports Handling Bulk Materials

We study the vessel arrival process in bulk ports handling either cargo containers or minerals. Then we introduce the SHIP/G/1 queue to be able to study the queueing behavior at the port. We present approximations for the asymptotic probabilities of delay and the number of vessels at the port. Numerical examples show the accuracy of the approximations. In appendices, we provide details of the analysis of the number of vessels at the port and the correlation properties of the vessel arrival process.     

Compressible Flow in a Half-Space with Navier Boundary Conditions

We prove the global existence of weak solutions of the Navier–Stokes equations of compressible flow in a half-space with the boundary condition proposed by Navier: the velocity on the boundary is proportional to the tangential component of the stress. This boundary condition allows for the determination of the scalar function in the Helmholtz decomposition of the acceleration density, which in turn is crucial in obtaining pointwise bounds for the density. Initial data and solutions are small in energy-norm with nonnegative densities having arbitrarily large sup-norm. These results generalize previous results for solutions in the whole space and are the first for solutions in this intermediate regularity class in a region with a boundary.     

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.     

Algebras with Collapsing Monomials

A semigroup S is called collapsing if there exists a positiveinteger n such that for every subset of n elements in S, atleast two distinct words of length n on these letters are equalin S. In particular, S is collapsing whenever it satisfies alaw. Let U(A) denote the group of units of a unitary associativealgebra A over a field k of characteristic zero. If A is generatedby its nilpotent elements, then the following conditions areequivalent: U(A) is collapsing; U(A) satisfies some semigrouplaw; U(A) satisfies the Engel condition; U(A) is nilpotent;A is nilpotent when considered as a Lie algebra.     

Chemical imaging in biology and medicine using ion microscopy

The ability to quantitatively map the distribution of elements on the micrometer scale and smaller with high sensitivity and isotopic discrimination is unique to ion microscopy. The information contained in ion images can be crucial to the study of the solid state, where chemical heterogeneity is often directly related to observed behavior. The tools of digital image processing allow the extraction of quantitative information from the image data. These techniques coupled with improved instrumentation for the detection of ion images drastically increase the problem solving capabilities of the ion microscope. The use of such methods and instrumentation in the ion microscopic analyses of cell cultures and tissues of biological and biomedical relevance will be discussed.     

PARTIAL VERSUS GENERAL STORAGE POLICY: COMMODITIES AND RESOURCES

This paper examines joint storage considerations when both commodities and resources can be stored, e.g., grain and water for irrigation. Results suggest that when separate agencies control public resource and commodity storage, suboptimal storage rules occur unless (i) each agency is sensitive to the policies of the other, (ii) commodity inventories are adjusted in response to prices, and (iii) resource inventories are adjusted in response to both commodity demand and resource supply conditions. For example, the common case where water storage depends on weather and reservoir conditions alone is not sufficiently general. The results imply that water management agencies that tend to be dominated by engineers and hydrological considerations need to incorporate economic considerations into decision processes.