Modelling of pharmaceutical tablet swelling and dissolution using discrete element method

This work presents a novel use of the Discrete Element Method (DEM) combined with inter-particle mass transfer in order to simulate polymer swelling and dissolution. Each particle can absorb water and swell, pushing on its neighbours and causing an overall expansion. Once the disentanglement threshold is reached, the polymer dissolves and the particle reduces in size. This paper applies DEM to simulate the radial swelling and dissolution of cylindrical tablets. The method was validated against exact numerical solution of the same system to assess the accuracy of the DEM simulations for different DEM particle sizes. Parametric studies were done to assess the impact of physical parameters – namely the concentration-dependent diffusion coefficient of water through the polymer, the dissolution rate constant of the polymer and the disentanglement threshold of the polymer – on the radial expansion of the tablet. It was found that different settings of the concentration-dependent water diffusion coefficient function could produce similar radial expansion curves but with different internal concentration profiles. Increasing the dissolution rate constant or decreasing the disentanglement threshold of the polymer caused a reduction in the maximum radius of tablet. Lastly, ATR-FTIR spectroscopic imaging was used to obtain chemical images of a pure hydroxy-propyl methylcellulose (HPMC) tablet swelling and dissolving. The model was optimised to match both the HPMC tablet radius and the concentration profiles over time.     

A fuzzy screening model for multiple attribute decision-making

A method for the screening of multiple attribute decision-making problems is presented. The model assists the decision-maker in eliminating inferior alternatives and insignificant attributes prior to a detailed evaluation. A preliminary evaluation of the alternatives provides the information necessary for the reduction of the decision problem. The procedure calculates maximum preference factors on which the decision-maker can base his screening decisions. These factors assess the role of alternatives in the final ranking by estimating their potential to become superior to other alternatives. Since screening tasks are carried out early in decision-making, the information available is generally uncertain. Uncertainty is represented in the model using fuzzy sets. This framework permits the handling of both imprecise and precise (crisp) estimates of impacts and provides a possibil-istic assessment of the risk associated with screening decisions.     

Impacts of Climate Variables on Residential Water Consumption in the Czech Republic

The paper investigates whether there is a statistically significant impact of short-term climate variables (specifically air temperature and rainfall) on residential water consumption at two selected case sites in the Czech Republic. The analysis is based on a unique time series of daily data from 2004–2009. The statistical methods used are CART methodology and a decomposition of these time series based on a locally weighted regression method. Apart from the data analysis results, the investigation raises several methodological questions regarding the use of daily data and the scope of analysis based on such data sets.     

Drawing,flanging and hemming of metallic thin sheets: A multi-step process

This study deals with the multi-step classical hemming process on samples with complex geometries and a pre-strain state linked to the forming of curved surface. The influence of taking the anisotropy and the Bauschinger effect into account on the roll-in and loads is studied. The design of a specific device was realised so as to compare the numerical results and the experimental values. The simulations show a certain relevance in the use of shell elements compared to solid elements despite their use restriction, and good correlation between the calculations and the tests. The roll-in differences and the level of stress reached are low at the end of pre-hemming and hemming, although a significant rotation of sections which are initially perpendicular to the mean fiber is observed during flanging.     

Reduction of iron ore by means of lignite semicoke

The use of lignite semicoke in reducing iron ore is considered.     

Computational studies of the gramicidin channel

Ion channels are highly specific membrane-spanning protein structures which serve to facilitate the passage of selected ions across the lipid barrier. In the past decade, molecular dynamics simulations based on atomic models and realistic microscopic interactions with explicit solvent and membrane lipids have been used to gain insight into the function of these complex systems. These calculations have considerably expanded our view of ion permeation at the microscopic level. This Account will mainly focus on computational studies of the gramicidin A channel, one of the simplest and best characterized molecular pore.     

Concurrency in Synchronous Systems

In this paper we introduce the notion of weak endochrony, which extends to a synchronous setting the classical theory of Mazurkiewicz traces. The notion is useful in the synthesis of correct-by-construction communication protocols for globally asynchronous, locally synchronous (GALS) systems. The independence between various computations can be exploited here to provide communication schemes that do not restrict concurrency while still guaranteeing correctness. Such communication schemes are then lighter and more flexible than their latency-insensitive or endo/isochronous counterparts. Work supported by the ARTIST and COLUMBUS IST European projects     

Precise Data Locality Optimization of Nested Loops

A significant source for enhancing application performance and for reducing power consumption in embedded processor applications is to improve the usage of the memory hierarchy. In this paper, a temporal and spatial locality optimization framework of nested loops is proposed, driven by parameterized cost functions. The considered loops can be imperfectly nested. New data layouts are propagated through the connected references and through the loop nests as constraints for optimizing the next connected reference in the same nest or in the other ones. Unlike many existing methods, special attention is paid to TLB (Translation Lookaside Buffer) effectiveness since TLB misses can take from tens to hundreds of processor cycles. Our approach only considers active data, that is, array elements that are actually accessed by a loop, in order to prevent useless memory loads and take advantage of storage compression and temporal locality. Moreover, the same data transformation is not necessarily applied to a whole array. Depending on the referenced data subsets, the transformation can result in different data layouts for a same array. This can significantly improve the performance since a priori incompatible references can be simultaneously optimized. Finally, the process does not only consider the innermost loop level but all levels. Hence, large strides when control returns to the enclosing loop are avoided in several cases, and better optimization is provided in the case of a small index range of the innermost loop.