The Limb Apraxia Test: An Imitative Measure of Upper Limb Apraxia

TB

Accelerating Solvent Dynamics with Replica Exchange for Improved Free Energy Sampling

Molecular reactions in solution typically involve solvent exchange; for example, a surface must partly desolvate for a molecule to adsorb onto it. When these reactions are simulated, slow solvent dynamics can limit the sampling of configurations and reduce the accuracy of free energy estimates. Here, we combine Hamiltonian replica exchange (HREX) with well-tempered metadynamics (WTMD) to accelerate the sampling of solvent configurations orthogonal to the collective variable space. We compute the formation free energy of a carbonate vacancy in the calcite–water interface and find that the combination of WTMD with HREX significantly improves the sampling relative to WTMD without HREX

Ethylene decomposition on the (1x1) Pt(511)

Thesis (B.S.) in Chemistry--University of Illinois at Urbana-Champaign, 1992.Includes bibliographical references (leaf 22)Microfiche of typescript. [Urbana, Ill.]: Photographic Services, University of Illinois, U of I Library, [1992]. 2 microfiches (58 frames): negative.s 1992 ilu n

Recent Decisions

Comments on recent decisions by Kenneth K. Konop, Raymond J. Sullivan, Robert E. Duffy, Joseph Yoch, Carl Frankovitch, Joseph Wetli, Harold Tuberty, and Alvin G. Kolski

The biogeography of community assembly: latitude and predation drive variation in community trait distribution in a guild of epifaunal crustaceans

While considerable evidence exists of biogeographic patterns in the intensity of species interactions, the influence of these patterns on variation in community structure is less clear. Studying how the distributions of traits in communities vary along global gradients can inform how variation in interactions and other factors contribute to the process of community assembly. Using a model selection approach on measures of trait dispersion in crustaceans associated with eelgrass (Zostera marina) spanning 30° of latitude in two oceans, we found that dispersion strongly increased with increasing predation and decreasing latitude. Ocean and epiphyte load appeared as secondary predictors; Pacific communities were more overdispersed while Atlantic communities were more clustered, and increasing epiphytes were associated with increased clustering. By examining how species interactions and environmental filters influence community structure across biogeographic regions, we demonstrate how both latitudinal variation in species interactions and historical contingency shape these responses. Community trait distributions have implications for ecosystem stability and functioning, and integrating large-scale observations of environmental filters, species interactions and traits can help us predict how communities may respond to environmental change

Nonequilibrium capture of impurities that completely block kinks during crystal growth

Some impurities cannot integrate into isolated kinks because they completely block the growth of the kinks to which they adsorb. For this class of impurity, we derive an equation for the amount that incorporates into a crystal during growth of the elementary step by assuming that such an impurity incorporates if and only if it gets captured between a kink and an antikink. We show that the impurity concentration in the crystal increases monotonically with the impurity concentration in the mother phase, but that it can vary non-monotonically with both the supersaturation of the mother phase and the kink density of the step. In contrast to other capture mechanisms, we find that weakly adsorbed impurities incorporate to an extent that is independent of the supersaturation when the supersaturation is high. Irrespective of the growth conditions, the amount of impurity that can incorporate into a crystal is limited by an upper bound determined by the kink density

The Limb Apraxia Test: Development of a Short Form

TB

Deficits of Nonverbal Communication in Aphasic Patients: A Test of Some Current Causal Theories

TB

Calcite Kinks Grow via a Multistep Mechanism

The classical model of crystal growth assumes that kinks grow via a sequence of independent adsorption events where each solute transitions from the solution directly to the crystal lattice site. Here, we challenge this view by showing that some calcite kinks grow via a multistep mechanism where the solute adsorbs to an intermediate site and only transitions to the lattice site upon the adsorption of a second solute. We compute the free energy curves for Ca and CO3 ions adsorbing to a large selection of kink types, and we identify kinks terminated both by Ca ions and by CO3 ions that grow in this multistep way