The Temperature Field or Electric Potential Around Two Almost Touching Spheres

The temperature field or electric potential around two equal,perfectly conducting spheres which are almost touching is studiedusing the method of matched asymptotic expansions. The dominant"outer" approximation of the calculational scheme applies inthe narrow gap between the spheres while the "inner" approximationapplies in the remaining volume outside the gap. The purposeof the calculation is to investigate the properties of certainsingularities whose existence has been indicated by earliersolutions of the Laplace equation around two spheres. For example,the electrostatic forces acting on the spheres or the heat fluxbetween them can become infinite when the spheres touch. Theexplicit forms of the singularities are found and used to assessthe accuracy of earlier solutions. In the appendix the correspondingtwo-dimensional problems for almost touching cylinders are analysed.     

Data Formats for Elementary Gas Phase Kinetics,Part 1: Unique Representations of Species at the Molecular Level

Standardized electronic formats for data are needed to efficiently and transparently communicate the results of scientific studies. A format for the unique identification of chemical species is a requirement in the field of chemistry, and the IUPAC International Chemical Identifier (InChI) has been widely adopted for this purpose. The InChI identifier has proved to be very useful. The InChI identifier, however, is currently insufficient to uniquely specify some types of molecular entities at a detailed molecular level needed to fully characterize their chemical nature, to differentiate between chemically distinct conformers, to uniquely identify structures used in quantum chemical calculations, and to completely describe elementary chemical reactions. To address this limitation, we propose an augmented form of InChI, denoted as InChI–ER, which contains additional optional layers that allow the unique and unambiguous identification of molecules at a detailed molecular level. The new layers proposed herein are optional extensions of the existing InChI formalism and, like all other InChI layers, would not interfere with InChI identifiers currently in use. The focus of the present work is the better specification of required molecular entities such as rotational conformations, ring conformations, and electronic states. In companion articles, we propose additional reaction layers using an extended InChI format that will enable the unique identification of elementary chemical reactions, including specification of associated transition states, specification of the changes in bonds that occur during reaction, and classification of reaction types.     

TEMPORAL AGGREGATION AND TESTING FOR TIMBER PRICE BEHAVIOR

ABSTRACT. Different harvest timing models make different assumptions about timber price behavior. Those seeking to optimize harvest timing are thus first faced with a decision regarding which assumption of price behavior is appropriate for their market, particularly regarding the presence of a unit root in the timber price time series. Unfortunately for landowners and investors, the literature provides conflicting guidance on this subject. One source for the ambiguous results of unit root tests of timber prices may involve data problems. We used Monte Carlo simulations to show that aggregating observations below their observed rate resulted in similar power reductions and empirical size distortions across three classes of unit root tests. Moving‐average error structures can also affect power and sizes of tests on period‐averaged data. Such error structures can also be created by the kind of temporal averaging common in reported timber prices. If we take timber prices at their face value and therefore ignore these sampling error and temporal aggregation complications, we find that unit root tests on southern timber prices support a unit root in 158 out of 208 product‐deflation combinations tested, random walks in 38 of the series found to be nonsta‐tionary, and stationarity in none. However, if we recognize temporal aggregation errors, unit root tests more commonly favor stationarity, especially for pulpwood stumpage. Because price trends for sawtimber and pulpwood products may behave differently even in the same region, stochastic harvest timing models must be developed that allow their multiple products to follow different price paths.     

TIMBER MARKETS AND FUEL TREATMENTS IN THE WESTERN U.S.

ABSTRACT. We developed a model of interrelated timber markets in the U.S. West to assess the impacts of large‐scale fuel reduction programs on these markets, and concomitant effects ofthe market on the fuel reduction programs. The linear programming spatial equilibrium model allows interstate and international trade with western Canada and the rest of the world, while accounting for price effects of introducing softwood logs to the market. The model maximizes area treated, given fire regime‐condition class priorities, maximum increases in softwood processing capacity, maximum rates of annual treatments, prohibitions on exports of U.S. and Canadian softwood logs from public lands and a fixed annual treatment budget. Results show that the loss to U.S. private timber producers is less than the gains for timber consumers (mills). States receiving more treatments when spending is not constrained by state proportions include Idaho, Montana, New Mexico and Oregon. When only the wildland‐urban interface is treated, California, Oregon and Washington receive more treatments. Utah and Colorado receive more treatments when low risk stands are included.     

The Application of Site-Specific Natural Isotope Fractionation-Nuclear Magnetic Resonance (SNIF-NMR) to the Analysis of Alcoholic Beverages

The relative deuterium concentration and specific deuterium-site locations in a molecule can be determined using Site-Specific Natural Isotope Fractionation-Nuclear Magnetic Resonance (SNIF-NMR). For a given compound (e.g., ethanol) SNIF-NMR can provide information about the chemical pathway of formation and, in some cases, information about the geographic origin of a sample can also be discerned. SNIF-NMR has been applied to the analysis of wines and other alcoholic beverages. In this work, data were collected on samples of apple brandy, tequila, rum, potato vodka, cognac, and synthetic ethanol. Signal-to-noise considerations limit the samples that can be studied without preconcentration to those with relatively high alcohol contents.     

QUENCHING OF SINGLET OXYGEN BY HUMAN RED CELL GHOSTS

Time resolved measurements of singlet oxygen phosphorescence at 1270 nm were made from unsealed red cell ghosts, labeled with 5-(N-hexadecanoyl)aminoeosin and suspended in deuterium oxide buffer. The singlet oxygen emission lifetime was long, 23 +/- 1 microseconds. The lifetime of the singlet oxygen phosphorescence from intact unsealed ghosts was not a measure of the singlet oxygen lifetime within the red cell ghost membrane, however. The prolonged singlet oxygen emission was due to singlet oxygen escaping from the thin membrane into the buffer, since the emission lifetime was significantly shortened by adding azide ion or water to the deuterium oxide buffer. The lifetime of singlet oxygen within the red cell ghosts membrane was estimated by dispersing the ghosts with detergent and then measuring the singlet oxygen lifetime in deuterium oxide buffers containing various dilutions of the dispersed ghosts. Apparent singlet-oxygen quenching constants were measured using four different photosensitizing dyes and two different detergents. The apparent quenching constant was independent of the dye used, but varied significantly with different detergents. Extrapolation of this data to "100%" ghost concentration gave a singlet oxygen lifetime from 24 and 130 ns. A ghost concentration of "100%" was defined as that concentration of red cell ghost molecules which would be contained within a red cell ghost membrane pellet containing no buffer solutions. Most of the singlet oxygen quenching was due to proteins. Lipids extracted from red cell ghosts accounted for only 2-7% of the total singlet oxygen quenching.     

Evaluating Experiment with Computation in Physical Chemistry: The Particle-In-A-Box Model with Cyanine Dyes

The results from a classic experiment in the undergraduate physical chemistry laboratory, the particle-in-a-box model for spectroscopic transitions of conjugated dyes, is compared to computational results obtained using a molecular mechanics structural approach and the extended Hückel molecular orbital picture. The goal of this exercise is to help students to think critically about their experimental data and to use comparisons of mathematical and computational models to try to understand departures of an experiment from expectations.     

Structure indices for multidimensional systems

The structure indices of a one-dimensional system are an importantset of invariants. In this paper we examine a generalizationof this concept to multidimensional linear systems, which correspondsto the algebraic concept of a Hilbert series. We use the standardtheory of the Hilbert series to explain some of the previousID system-theoretic results. We discuss the computation of nDstructure indices from an initial condition set, and the invariantswhich can be derived from these indices.     

AN INDIVIDUAL‐BASED MODEL FOR TRADITIONAL FORAGING BEHAVIOR: INVESTIGATING EFFECTS OF ENVIRONMENTAL FLUCTUATION

Abstract We present an individual‐based model to simulate the evolution of traditional foraging strategies in a fluctuating environment. The parameters and procedures are based on observed behavior of barnacle geese, Branta leucopsis, during spring staging off the coast of Helgeland, Norway. Within a temporally and spatially heterogeneous environment, goose movement is modeled according to state‐dependent site selection decisions that maximize food intake. The aim of each individual is to optimize fitness (survival and reproduction) by gaining enough food (energy reserves) during 3 weeks of foraging to meet a threshold of energy necessary for successful reproduction. The geese return to the same islands each year and on a daily basis choose unoccupied sites according to their rank in the population‐structured dominance hierarchy, memories of previously visited sites (tradition), past reproductive success, inherited genetic influence towards site faithfulness and/or site quality, and knowledge of the available biomass density. It is assumed that with each subsequent return to a specific location, increased familiarity of the area will benefit an individual through greater food acquisition by more efficient foraging practices. In the event of variable environmental conditions, geese are faced with a critical decision to return to previously visited sites or abandon tradition to explore for something better. It is shown that habitat quality plays an integral role in population dynamics. Beyond the scope of this paper, the evolution of foraging strategies that directly affect reproductive potential is shown to inevitably determine the resilience of the population over time ( Kanarek [2006] ). Further experiments are required for detailed results and analysis of specific circumstances that provoke the adaptation of certain behaviors. In general, this modeling approach has the potential to reveal significant insight into the emergence of stable responses to environmental disturbance.