Maxsim2—Real-time interactive simulations for computer-assisted teaching of pharmacokinetics and pharmacodynamics

We developed a computer program for use in undergraduate and graduate courses in pharmacology, pharmacokinetics and pharmacodynamics. This program can also be used in environmental and toxicological studies and preclinical simulation, to facilitate communication between modeling pharmacokineticists and project leaders or other decision-makers in the pharmaceutical industry. The program simulates the drug delivery and transport by means of (I) a six-compartment physiological pharmacokinetic flow model, (II) a system of traditional compartment models, or (III) a target-mediated drug disposition system. The program also can be used to simulate instantaneous equilibria between concentration and pharmacodynamic response, or as temporal delays between concentration and response. The latter is done by means of turnover models (indirect response models). Drug absorption, distribution, and elimination are represented by differential equations, which are described by organ and tissue volumes or other volumes of distribution, blood flows, clearance terms, and tissue-to-blood partition coefficients. The user can control and adjust these parameters by means of a slider in real time. By interactively changing the parameter values and simultaneously displaying the resulting concentration–time and/or response–time profiles, users can understand the major mechanisms that govern the disposition or the pharmacological response of the drug in the organism in real time. Schedule dependence is typically seen in clinical practice with a non-linear concentration–response relationship, and is difficult to communicate except via simulations. Here, we sought to illustrate the potential advantages of this approach in teaching pharmacology, pharmacokinetics, and pharmacodynamics to undergraduate pharmacy-, veterinary-, and medical students or to project teams in drug discovery/development.     

Pasting,thermal, gel texture,resistant starch and colour properties of unripe banana flour from 10 desert banana varieties cultivated in South Africa

Unripe banana flour is a potential commercial ingredient in various food products for increased resistant starch and reduced gluten contents. In the present study, the pasting (rapid visco-analysis), gel texture (penetration test), thermal (differential scanning calorimetry), colour (tri-stimulus colour indices) and the resistant starch properties of unripe banana flour produced from different dessert banana varieties (n?=?10) cultivated in South Africa, were analysed and juxtaposed to wheat and maize flour. The functional properties varied significantly (p?≤?0.05) between banana varieties, and from wheat and maize flours, to various extents. Selected functional property ranges of unripe banana, wheat and maize flours, respectively included; flour colour index (63.16–76.42, 77.34 and 80.96), paste viscosity (405.5–556.6, 124.7 and 115.6 RVU), gelatinization temperature (64.67–71.21, 71.11 and 69.95?°C), gel firmness (7.24–11.44?×?10^??2 N, 3.49?×?10^??2 N and 6.56?×?10^??2 N) and resistant starch content (19.9–47.4, 2.8 and 2.2% w/w). Multivariate analysis (principle component analysis) showed that the unripe banana flours from different varieties were distinguished from each other based on the pasting temperature. The unripe banana flours were distinguished from both wheat and maize flour based on breakdown and peak paste viscosities. The breakdown viscosity was the most positively related measure to the resistant starch content with a linear regression R-squared value of 0.898, indicating a significant role played by granule structure in resistance to enzymatic hydrolysis. The present research demonstrates that selection of appropriate dessert banana variety is important when replacing staple flours (wheat and maize) with unripe dessert banana flour as a functional ingredient.     

Teachers' acceptance and use of an educational portal

In this study, teachers' acceptance and use of an educational portal is assessed based on data from two sources: usage data (number of logins, downloads, uploads, reactions and pages viewed) and an online acceptance questionnaire. The usage data is extracted on two occasions from the portal's database: at survey completion (T1) and twenty-two months later (T2). Framework for this study is C-TAM-TPB (Combined Technology Acceptance Model and Theory of Planned Behavior). 919 usable responses from teachers are obtained. Based on the observed use data at T1, four types of portal users are distinguished: ‘new’ (N = 37), ‘light’ (N = 641), ‘medium’ (N = 201), and ‘heavy’ (N = 40). Path analyses show that all predictor variables in C-TAM-TPB influence teachers' portal acceptance, but their significance level varies depending on the user type. The strongest predictors of behavioral intention to use the portal are attitude (‘new’) and perceived usefulness (‘light’, ‘medium’ and ‘heavy’), with variance explained ranging from .39 (‘medium’) to .71 (‘heavy’). The observed use data show that the portal is primarily used to search for and download material, rather than for sharing material or information. The use data at T2 show that teachers become more efficient in their search behavior and that the majority of the teachers use the portal more frequently. Guidelines are proposed to policymakers and school boards aiming to introduce a similar technology to teachers.     

The GOEDEL Program

The GOEDEL program is an ever-growing collection of currently more than thirty thousand rewrite rules for transforming expressions in Gödel’s class theory in the hope of thereby simplifying them. A brief survey of the program and its use is presented. A few striking results obtained recently using the program are featured to provide some of the flavor of the author’s on-going research over the past fifteen years.     

A gaming approach to networked infrastructure management

Operational decision-making processes for networked infrastructure management often occur as a multi-actor planning problem, implying these are based on negotiations between different stakeholders in addition to available system quality information. As such, does more accurate data about actual structural condition lead to other or better decision-making? A serious game is introduced, Maintenance in Motion, aiming at investigating the influence of information quality on rehabilitation decisions, for single- and multi-actor decision-making. Players manage drinking water, gas, sewer and street infrastructures. They are to balance their individual goal, cost-effectiveness, with their team utility, increasing overall infrastructure quality to minimise failure while minimising overall public costs. The game design, calibration and solution space are presented.     

Sketch-based 3D model retrieval utilizing adaptive view clustering and semantic information

Multimedia Tools and Applications - Searching for relevant 3D models based on hand-drawn sketches is both intuitive and important for many applications, such as sketch-based 3D modeling and...     

Parametric models of local search progression

Algorithms that search for good solutions to optimization problems present a trace of current best objective values over time. We describe an empirical study of parametric models of this progression that are both interesting as ways to characterize the search progression compactly and useful as means of predicting search behavior. In our computational experiments, we give examples of a variety of problems and algorithms where we are able to use the parametric models to make predictions of performance that cross instances and instance sizes.     

Influence of the nanofiber dimensions on the properties of nanocellulose/poly(vinyl alcohol) aerogels

The investigation of aerogels made from cellulose nanofibers and poly(vinyl alcohol) (PVOH) as a polymeric binder is reported. Aerogels based on different nanocellulose types were studied to investigate the influence of the nanocellulose dimensions and their rigidity on the morphology and mechanical properties of the resulting aerogels. Thus, cellulose nanocrystals (CNCs) with low (10), medium (25), and high (80) aspect ratios, isolated from cotton, banana plants, and tunicates, respectively, microfibrillated cellulose (MFC) and microcrystalline cellulose (MCC) were dispersed in aqueous PVOH solutions and aerogels were prepared by freeze‐drying. In addition to the cellulose type, the PVOH‐ and the CNC‐concentration as well as the freeze‐drying conditions were varied, and the materials were optionally cross‐linked by an annealing step or the use of a chemical cross‐linker. The data reveal that at low PVOH content, rigid, high‐aspect ratio CNCs isolated from tunicates afford aerogels that show the least amount of shrinking upon freeze‐drying and display the best mechanical properties. However, with increasing concentration of PVOH or upon introduction of a chemical cross‐linker the differences between materials made from different nanocellulose types decrease. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 41740.     

Simulation study of the effect of wall roughness on the dynamics of granular flows in rotating semicylindrical chutes

A discrete element model (DEM) is used to investigate the behavior of spherical particles flowing down a semicylindrical rotating chute. The DEM simulations are validated by comparing with particle tracking velocimetry results of spherical glass particles flowing through a smooth semicylindrical chute at different rotation rates of the chute. The DEM model predictions agree well with experimental results of surface velocity and particle bed height evolution. The validated DEM model is used to investigate the influence of chute roughness on the flow behavior of monodisperse granular particles in rotating chutes. To emulate different base roughnesses, a rough base is constructed out of a square close packing of fixed spherical particles with a diameter equal to, smaller, or larger than the flowing particles. Finally, the DEM model is used to study segregation in a binary density mixture for different degrees of roughness of the chute. © 2015 American Institute of Chemical Engineers AIChE J, 61: 2117–2135, 2015