Distinctiveness and Correlation in Conceptual Structure: Behavioral and Computational Studies.

Patients with category-specific deficits have motivated a range of hypotheses about the structure of the conceptual system. One class of models claims that apparent category dissociations emerge from the internal structure of concepts rather than fractionation of the system into separate substores. This account claims that distinctive properties of concepts in the living domain are vulnerable because of their weak correlation with other features. Given the assumption that mutual activation among correlated properties produces faster activation in the normal system, the authors predicted a disadvantage for the distinctive features of living things for unimpaired adults. Results of a speeded feature verification study supported this prediction, as did a computational simulation in which networks mapped from orthography to semantics. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Evaluating reactivity to ecological momentary assessment during smoking cessation.

Ecological momentary assessment (EMA) consists of assessing phenomena in real time in the natural environment. EMA allows for more fine-grained analyses of addictive behavior and minimizes threats to internal validity, such as recall biases and errors. However, because of the intensive monitoring involved in EMA, measurement reactivity is a concern. To test whether EMA with palmtop personal computers induces reactivity, the authors compared smoking-related outcomes between smokers using EMA and those not using EMA during a quit attempt. The use of no-EMA control groups has been rare in reactivity investigations to date. The EMA protocol included event-contingent assessments (smoking episodes, urge episodes) and random assessments. Outcomes included biologically confirmed abstinence and self-report measures of withdrawal, self-efficacy, motivation, affect, and temptations. Participants were smokers motivated to quit (N = 96). They were randomized to 1 of 3 groups: EMA for the week preceding a planned quit date, EMA for the week following the quit date, and no EMA. Abstinence rates did not differ between the groups at Day 7 or at Day 28 postcessation. For the 20 subscales assessed at each of 3 assessment times, there were significant differences between participants with and without EMA experience for 3 subscales at the 1st of 3 assessment times, and significant differences for 3 different subscales at the 3rd assessment time. These differences suggest some reactivity to EMA, although the inconsistent pattern across time indicates that further research is needed to definitively conclude that EMA induces reactivity. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

MASCEM: a multiagent system that simulates competitive electricity markets

Around the world, the electricity industry, which has long been dominated by vertically integrated utilities, is experiencing major changes in the structure of its markets and regulations. Owing to new regulations, it's evolving into a distributed industry in which market forces drive electricity's price. The industry is becoming competitive; a market environment is replacing the traditional centralized-operation approach. This transformation is often called the deregulation of the electricity market. MASCEM, a multiagent simulator system, is a valuable framework for evaluating new rules, new behavior, and new participants in the numerous electricity markets that are moving toward liberalization and competition.     

Fugitive Diffusion Barrier for Integration of Sol-Gel-Derived Lead Titanate with Oxidized Silicon Substrates

The crystalline phase development and microstructural changes with heating of sol-gel-derived lead titanate (PT) particles and films on silica with and without a fugitive (or removable) diffusion barrier layer were investigated. Amorphous gel-derived PT particles were deposited on SiO₂-coated TEM grids with and without polyimide (PI) or carbon barrier layers between SiO₂ and PT. TEM analysis showed that PI or carbon barriers prevented reaction between the gel-derived PT particles and SiO₂. PT particles crystallize and then the PI or carbon film decomposes. Sol-gel-derived PT films were deposited on oxidized Si substrates (Si/SiO₂) with and without a PI barrier layer. Perovskite PT films were prepared on Si/SiO₂ substrates with a PI barrier; however, some porosity remained in the films. Identically prepared films without the PI barrier formed a mixture of pyrochlore and perovskite. X-ray photoelectron spectroscopy results indicate that the PI film pre- vents the diffusion of Si into the PT film.     

Rheological Property and Stress Development during Drying of Tape-Cast Ceramic Layers

Rheological property and stress development of tape-cast ceramic layers derived from nonaqueous alumina (A1₂O₃)-poly(vinyl butyral) (PVB) suspensions were observed during drying. Casting suspensions exhibited strong shear-thinning behavior, with a low shear Newtonian plateau apparent viscosity >10² Pa^.s. The apparent suspension viscosity displayed a power-law dependence on the A1₂O₃ volume fraction during the initial stage of drying (<30% solvent loss). Stress development, measured by a cantilever deflection method, and parallel weight loss measurements were performed during the drying of tape-cast layers and pure binder coatings. Maximum drying stresses (σ_max) of 1.37-0.77 MPa were observed for plasticized tapes cast at gap heights of 150-400 μm. In contrast, nonplasticized tapes of similar thickness displayed a more gradual stress increase, with σ_max values approximately an order of magnitude higher than their plasticized counterparts. The stress histories of the corresponding binder coatings were quite similar to the tape-cast layers, albeit slightly lower σ _max values were observed. Stresses decayed beyond σ_max with a logarithmic time dependence to an almost constant value of 0.2-0.4 MPa for the plasticized tapes. Based on these observations, process methodologies have been offered to minimize stress development and retention in tape-cast ceramic layers     

AKT Inhibitors: The Road Ahead to Computational Modeling-Guided Discovery

AKT, is a serine/threonine protein kinase comprising three isoforms—namely: AKT1, AKT2 and AKT3, whose inhibitors have been recognized as promising therapeutic targets for various human disorders, especially cancer. In this work, we report a systematic evaluation of multi-target Quantitative Structure-Activity Relationship (mt-QSAR) models to probe AKT’ inhibitory activity, based on different feature selection algorithms and machine learning tools. The best predictive linear and non-linear mt-QSAR models were found by the genetic algorithm-based linear discriminant analysis (GA-LDA) and gradient boosting (Xgboost) techniques, respectively, using a dataset containing 5523 inhibitors of the AKT isoforms assayed under various experimental conditions. The linear model highlighted the key structural attributes responsible for higher inhibitory activity whereas the non-linear model displayed an overall accuracy higher than 90%. Both these predictive models, generated through internal and external validation methods, were then used for screening the Asinex kinase inhibitor library to identify the most potential virtual hits as pan-AKT inhibitors. The virtual hits identified were then filtered by stepwise analyses based on reverse pharmacophore-mapping based prediction. Finally, results of molecular dynamics simulations were used to estimate the theoretical binding affinity of the selected virtual hits towards the three isoforms of enzyme AKT. Our computational findings thus provide important guidelines to facilitate the discovery of novel AKT inhibitors.