SURFACE MODIFICATION WITH HYDROGELS VIA MACROINITIATORS FOR ENHANCED FRICTION PROPERTIES OF BIOMATERIALS

ABSTRACT

A general method of surface modification is described which is based on dip-coating of a substrate with a macroinitiator and subsequent free radical polymerization of functional monomers. Using this method, it is possible to fix poly(acrylic acid) hydrogels on polymer surfaces, e.g. on catheters, which drastically reduces the friction of these materials. Similarly, other biological relevant properties, especially reduced protein or bacteria adsorption can be achieved by choosing appropriate monomers.

The substrate was first homogeneously dip-coated with e.g. the water-insoluble macroinitiator poly(octadecene-co-maleic anhydride), partially reacted to the tert.-butyl perester. Homogeneity, thickness, and reactivity of the macroinitiator layer was characterized in detail. After a temper step, surface homo- and copolymerizations of ionic monomers were carried out in water directly from the modified surface. The consistency of the hydrogel coating could be well controlled by the reaction conditions and the monomer composition. The correlation between the experimental parameters, the composition of the surface coating, and the friction properties was established. A relatively thick, slightly crosslinked poly(acrylic acid) hydrogel coating reduces the friction coefficient by 95% compared to that of uncoated surfaces.     

Analytical gradients of a state average MCSCF state and a state average diagnostic

An efficient method for calculating the Lagrange multipliers and the analytical gradients of one state included in a state average MCSCF wave function is presented. It is demonstrated that the state average energy of an ‘equal-weight’ scheme is invariant to rotations within the state average subspace and that the corresponding rotations should be eliminated from the Lagrangian equations. Finally, a diagnostic is presented, which gauges the energy difference between a state defined by a state average calculation and the corresponding fully variational multi-configurational SCF state.     

A BIOECONOMIC SHEEP–VEGETATION TRADE‐OFF MODEL: AN ANALYSIS OF THE NORDIC SHEEP FARMING SYSTEM

Abstract. The paper studies the economy and ecology of sheep farming at the farm level and includes 2 different categories of the animals, ewes (adult females) and lambs. The model is analyzed in a Nordic economic and biological setting. During the outdoor grazing season, animals face limited grazing resources so that the weight gain of lambs is determined by the per‐animal vegetation consumption. On the other hand, the number of grazing animals, lambs as well as ewes, determines the grazing pressure. This problem is studied under the assumption of a rational and well‐informed farmer who aims to maximize profit in ecological equilibrium with zero animal and vegetation growth. We find that lamb‐only slaughtering is optimal and that it is never beneficial for the farmer to keep livestock that overgraze pasture. It is also shown that higher meat prices and more profitable slaughtering make it economically rewarding for the farmer to keep more animals. A numerical illustration indicates that the optimal sheep farming decision may be more sensitive to changes in pasture quality and productivity than changes in economic conditions.     

ON THE MANAGEMENT OF INTERCONNECTED WILDLIFE POPULATIONS

Abstract Economic interdependency of wildlife or fish stocks is usually attributed to ecological interdependency, such as predator–prey and competitive relationships, or to density‐dependent migration of species between different areas. This paper provides another channel for economic interdependency of wildlife where density‐independent migration and market price interaction affect the management strategies among different landowners. Management is studied under three market conditions for selling hunting licenses: price taking behavior, monopoly market, and duopoly market. Harvesting of the Scandinavian moose is used as an example. The paper provides several results on how economic interdependency works through the migration pattern. When a duopoly market is introduced, hunting license price interaction among the landowners plays an additional role in determining the optimal harvesting strategy.     

CONSERVATION OF WILDLIFE. A BIO‐ECONOMIC MODEL OF A WILDLIFE RESERVE UNDER THE PRESSURE OF HABITAT DESTRUCTION AND HARVESTING OUTSIDE THE RESERVE

ABSTRACT. Biodiversity is today threatened by many factors of which destruction and reduction of habitats are considered most important for terrestrial species. One way to counteract these threats is to establish reserves with restrictions on land use and exploitation. However, very few reserves can be considered islands, wildlife species roam over large expanses, often via some density dependent dispersal process. As a consequence, habitat destruction, and exploitation, taking place outside will influence the species abundance inside the conservation area. The paper presents a theoretical model for analyzing this type of management problem. The model presented allows for both the common symmetric dispersal as well as what is called asymmetric dispersal between reserve and outside area. The main finding is that habitat destruction outside may not necessarily have negative impact upon the species abundance in the reserve. As a consequence, economic forces working in the direction of reducing the surrounding habitat have unclear effects on the species abundance within the protected area. We also find that harvesting outside the reserve may have quite modest effect on the species abundance in the reserve. This underlines the attractiveness of reserves from a conservation viewpoint.     

A CC2 dielectric continuum model and a CC2 molecular mechanics model

In this paper we present theory and applications for the second-order approximate singles and doubles coupled cluster (CC2) electronic structure method coupled to either a dielectric continuum (the CC2/DC model) or a molecular mechanical intermolecular force field (the CC2/MM model). Calculations of the interaction energy, solvation energy, electric dipole moment and electric quadrupole moment of liquid water are presented using the correlated CC2 approach. The results are compared to the corresponding results using the uncorrelated Hartree-Fock (HF) and the correlated coupled cluster singles and doubles (CCSD) methods. Also, a hierarchy in the coupling between the quantum mechanical (QM) and the molecular mechanical (MM) part of the system is investigated in the QM/MM model for the three different electronic structure methods.     

GROWTH AND MEASUREMENT UNCERTAINTY IN AN UNREGULATED FISHERY

Abstract Complete information is usually assumed in harvesting models of marine and terrestrial resources. In reality, however, complete information never exists. Fish and wildlife populations often fluctuate unpredictably in numbers, and measurement problems are frequent. In this paper, we analyze a time‐discrete fishery model that distinguishes between uncertain natural growth and measurement error and in which exploitation takes place in an unregulated manner. Depending on the parameterization of the model and at which point of time uncertainty is resolved, it is shown that expected harvest under ecological uncertainty may be below or above that of the benchmark model with no uncertainty. On the other hand, when stock measurement is uncertain, expected harvest never exceeds the benchmark level. We also demonstrate that the harvesting profit, or rent, under uncertainty may be above that of the benchmark situation of complete information. In other words, less information may be beneficial for the fishermen.     

The QM/MM approach for wavefunctions,energies and response functions within self-consistent field and coupled cluster theories

This paper presents the coupled cluster/molecular mechanics (CC/MM) and self-consistent field/molecular mechanics (SCF/MM) approaches for wavefunctions, energies and response properties. Two physically different theories are derived, the mean-field and the direct-field interaction approaches, together with expressions for the optimization condition of both variational and non-variational wavefunctions and energies. Also derived are the linear response functions at the CC/MM and SCF/MM levels of theory, and the expressions are compared with the vacuum response functions.     

ON THE ECONOMICS OF BIOLOGICAL INVASION: AN APPLICATION TO RECREATIONAL FISHING

Abstract The paper demonstrates four general mechanisms that may affect economically valuable species when exposed to biological invasion. We distinguish between an ecological level effect and an ecological growth effect. In addition, we present an economic quantity effect working through demand. Finally, we suggest that there is an economic quality effect that reflects the possibility that invasions affect the harvesting agents directly through demand‐side forces. For example, this may occur because the state of the original species or the ecosystem is altered. We depart from the existing literature by revealing ecological and economic forces that explain why different agents may lack incentives to control invasions. The theoretical model is illustrated by the case where escaped farmed salmon (EFS) influence wild Atlantic salmon fisheries.     

ROUTE TO SURGE FOR A THROTTLED COMPRESSOR — A NUMERICAL STUDY

Aerodynamic instabilities of axial compressors are investigated numerically and compared with experimental results. The compressor flow in the interblade-row spaces is simulated by means of 2-D Euler equations while the blade rows are modelled as quasi-steady actuator disks. The coupling of different unbladed regions of the compressor by actuator disks, which is characterized by the influence of stator and rotor, is captured in terms of conservation laws and source terms by means of compressor characteristics. At inflow and outflow nonreflecting boundary conditions are used in order to avoid any nonphysical reflections at the boundary. Numerically simulating this model for selected initial and boundary conditions, we observe that for increasing values of the imposed exit pressure the compressor flow undergoes several qualitative changes. At some critical value of exit pressure a primary stable steady state losses stability to several coexisting time-periodic states with a number of rotating stall cells. While for these time-periodic states the mass flow does not depend on time, all solution branches lead finally to surge, i.e., to states with an oscillation of mass flow in time if the exit pressure is sufficiently large. In addition, the numerical results are compared with experimental measurements.