A Monte Carlo-Based Fiber Tracking Algorithm using Diffusion Tensor MRI

Diffusion tensor magnetic resonance imaging, which measures directional information of water diffusion in the brain, has emerged as a powerful tool for human brain studies. In this paper, we introduce a new Monte Carlo-based fiber tracking approach to estimate brain connectivity. One of the main characteristics of this approach is that all parameters of the algorithm are automatically determined at each point using the entropy of the eigenvalues of the diffusion tensor. Experimental results show the good performance of the proposed approach

Fronts from complex two-dimensional dispersal kernels: theory and application to Reid's paradox

Bimodal dispersal probability distributions with characteristic distances differing by several orders of magnitude have been derived and favorably compared to observations by Nathan [Nature (London) 418, 409 (2002)]. For such bimodal kernels, we show that two-dimensional molecular dynamics computer simulations are unable to yield accurate front speeds. Analytically, the usual continuous-space random walks (CSRWs) are applied to two dimensions. We also introduce discrete-space random walks and use them to check the CSRW results (because of the inefficiency of the numerical simulations). The physical results reported are shown to predict front speeds high enough to possibly explain Reid's paradox of rapid tree migration. We also show that, for a time-ordered evolution equation, fronts are always slower in two dimensions than in one dimension and that this difference is important both for unimodal and for bimodal kernels

A variational approach for calculating Franck-Condon factors including mode-mode anharmonic coupling

We have implemented our new procedure for computing Franck-Condon factors utilizing vibrational configuration interaction based on a vibrational self-consistent field reference. Both Duschinsky rotations and anharmonic three-mode coupling are taken into account. Simulations of the first ionization band of Cl O2 and C4 H4 O (furan) using up to quadruple excitations in treating anharmonicity are reported and analyzed. A developer version of the MIDASCPP code was employed to obtain the required anharmonic vibrational integrals and transition frequencies

Distinct Unfolding and Refolding Pathways of Ribonuclease A Revealed by Heating and Cooling Temperature Jumps

Heating and cooling temperature jumps (T-jumps) were performed using a newly developed technique to trigger unfolding and refolding of wild-type ribonuclease A and a tryptophan-containing variant (Y115W). From the linear Arrhenius plots of the microscopic folding and unfolding rate constants, activation enthalpy (ΔH#), and activation entropy (ΔS#) were determined to characterize the kinetic transition states (TS) for the unfolding and refolding reactions. The single TS of the wild-type protein was split into three for the Y115W variant. Two of these transition states, TS1 and TS2, characterize a slow kinetic phase, and one, TS3, a fast phase. Heating T-jumps induced protein unfolding via TS2 and TS3; cooling T-jumps induced refolding via TS1 and TS3. The observed speed of the fast phase increased at lower temperature, due to a strongly negative ΔH# of the folding-rate constant. The results are consistent with a path-dependent protein folding/unfolding mechanism. TS1 and TS2 are likely to reflect X-Pro114 isomerization in the folded and unfolded protein, respectively, and TS3 the local conformational change of the β-hairpin comprising Trp115. A very fast protein folding/unfolding phase appears to precede both processes. The path dependence of the observed kinetics is suggestive of a rugged energy protein folding funne

Implementació i validació d'un sistema assistit aplicat a la planificació del procés de peces de mecanitzat

El projecte s’emmarca en el sector de la planificació de la producció especialitzada en processos de mecanització per assistir a la presa de decisions a les PIMES del sector. S’integra en el desenvolupament del programa PAPOM (Programa Assistit a la Planificació de Procés i producció en Operacions de Mecanitzat) desenvolupat pel grup de recerca GREP (Grup de Recerca en Enginyeria de Procés, Producte i Producció), centrant-se en l’estudi del càlcul dels temps de tall

Simulació mitjançant tècniques CFD d'una culata per al motor del vehicle de baix consum "Àliga-EPS-UdG"

El projecte pretén estudiar i quantificar les restriccions creades al fluid en circular pels conductes d’admissió i escapament de la culata del motor del vehicle Àliga. L’estudi consta de quatre etapes: estudi de les restriccions actuals dels sistemes d’admissió i escapament; anàlisi dels resultats de la culata de sèrie i proposta de millores aplicables al model real; càlcul de les restriccions creades pels models millorats, i finalment, estudi comparatiu dels resultats obtinguts, interpretant els resultats dels principals paràmetres a analitzar

Disseny i implementació d'un sistema per a la simulació de processos d'arranc [sic] de ferritja

L’objecte del projecte és crear una interfície capaç d’obtenir paràmetres dels processos d’escairat i ranurat, tals com l’avanç, la profunditat de passada i el número de passades en funció de la rugositat superficial i tenint en compte tant els diferents factors i restriccions entrats per l’usuari com els que van ser estudiats, al seu moment, pels autors G. Halvei i R.D. Weill. L’aplicació informàtica formarà part d’un programa de dimensions majors que oferirà el càlcul de totes les operacions d’arrencada de ferritja

Hydrogen-bonded interpolymer complexes. Formation, structure and applications

Noncovalent interactions play key roles in many natural processes leading to the self-assembly of molecules with the formation of supramolecular structures. One of the most important forces responsible for self-assembly is hydrogen bonding, which also plays an important role in the self-assembly of synthetic polymers in aqueous solutions. Proton-accepting polymers can associate with proton-donating polymers via hydrogen bonding in aqueous solutions and form polymer-polymer or interpolymer complexes. There has been an increased interest among researchers in hydrogen-bonded interpolymer complexes since the first pioneering papers were published in the early 1960s. Several hundred research papers have been published on various aspects of complex formation reactions in solutions and interfaces, properties of interpolymer complexes and their potential applications. This book focuses on the latest developments in the area of interpolymer complexation via hydrogen bonding. It represents a collection of original and review articles written by recognized experts from Germany, Greece, Kazakhstan, Poland, Romania, Russia, UK, Ukraine, and the USA. It highlights many important applications of interpolymer complexes, including the stabilization of colloidal systems, pharmaceuticals, and nanomaterials.

Investigating early hominin dispersal patterns: developing a framework for climate data integration

An investigation using the Stepping Out model of early hominin dispersal out of Africa is presented here. The late arrival of early hominins into Europe, as deduced from the fossil record, is shown to be consistent with poor ability of these hominins to survive in the Eurasian landscape. The present study also extends the understanding of modelling results from the original study by Mithen and Reed (2002. Stepping out: a computer simulation of hominid dispersal from Africa. J. Hum. Evol. 43, 433-462). The representation of climate and vegetation patterns has been improved through the use of climate model output. This study demonstrates that interpretative confidence may be strengthened, and new insights gained when climate models and hominin dispersal models are integrated. (C) 2007 Elsevier Ltd. All rights reserved.

The infrared spectrum of silicon difluoride

The infrared spectrum of the stretching fundamentals of SiF2 has been obtained at a resolution of ≈ 0.1 cm−1 using a FTIR spectrometer. The spectrum has been analysed using computer simulation based on a coupled hamiltonian for v1 and v3, giving v1 = 855.01 cm−1 and v3 = 870.40 cm−1. The relative magnitude and sign of the vibrational transition moments has been determined from the ξC13 Coriolis coupling.

The Origins of Lactase Persistence in Europe

Lactase persistence (LP) is common among people of European ancestry, but with the exception of some African, Middle Eastern and southern Asian groups, is rare or absent elsewhere in the world. Lactase gene haplotype conservation around a polymorphism strongly associated with LP in Europeans (-13,910 C/T) indicates that the derived allele is recent in origin and has been subject to strong positive selection. Furthermore, ancient DNA work has shown that the -13,910*T (derived) allele was very rare or absent in early Neolithic central Europeans. It is unlikely that LP would provide a selective advantage without a supply of fresh milk, and this has lead to a gene-culture coevolutionary model where lactase persistence is only favoured in cultures practicing dairying, and dairying is more favoured in lactase persistent populations. We have developed a flexible demic computer simulation model to explore the spread of lactase persistence, dairying, other subsistence practices and unlinked genetic markers in Europe and western Asia's geographic space. Using data on -13,910*T allele frequency and farming arrival dates across Europe, and approximate Bayesian computation to estimate parameters of interest, we infer that the -13,910*T allele first underwent selection among dairying farmers around 7,500 years ago in a region between the central Balkans and central Europe, possibly in association with the dissemination of the Neolithic Linearbandkeramik culture over Central Europe. Furthermore, our results suggest that natural selection favouring a lactase persistence allele was not higher in northern latitudes through an increased requirement for dietary vitamin D. Our results provide a coherent and spatially explicit picture of the coevolution of lactase persistence and dairying in Europe.

A study on intelligent building models

Mathematical models devoted to different aspects of building studies and brought about a significant shift in the way we view buildings. From this background a new definition of building has emerged known as intelligent building that requires integration of a variety of computer-based complex systems. Research relevant to intelligent continues to grow at a much faster pace. This paper is a review of different mathematical models described in literature, which make use of different mathematical methodologies, and are intended for intelligent building studies without complex mathematical details. Models are discussed under a wide classification. Mathematical abstract level of the applied models is detailed and integrated with its literature. The goal of this paper is to present a comprehensive account of the achievements and status of mathematical models in intelligent building research. and to suggest future directions in models.

Modeling the effects of node heterogeneity on the performance of a real grid application

The performance benefit when using Grid systems comes from different strategies, among which partitioning the applications into parallel tasks is the most important. However, in most cases the enhancement coming from partitioning is smoothed by the effect of the synchronization overhead, mainly due to the high variability of completion times of the different tasks, which, in turn, is due to the large heterogeneity of Grid nodes. For this reason, it is important to have models which capture the performance of such systems. In this paper we describe a queueing-network-based performance model able to accurately analyze Grid architectures, and we use the model to study a real parallel application executed in a Grid. The proposed model improves the classical modelling techniques and highlights the impact of resource heterogeneity and network latency on the application performance.

Turbo channel estimation and equalisation for a superposition-based cooperative system

This study investigates the superposition-based cooperative transmission system. In this system, a key point is for the relay node to detect data transmitted from the source node. This issued was less considered in the existing literature as the channel is usually assumed to be flat fading and a priori known. In practice, however, the channel is not only a priori unknown but subject to frequency selective fading. Channel estimation is thus necessary. Of particular interest is the channel estimation at the relay node which imposes extra requirement for the system resources. The authors propose a novel turbo least-square channel estimator by exploring the superposition structure of the transmission data. The proposed channel estimator not only requires no pilot symbols but also has significantly better performance than the classic approach. The soft-in-soft-out minimum mean square error (MMSE) equaliser is also re-derived to match the superimposed data structure. Finally computer simulation results are shown to verify the proposed algorithm.

An assessment of eye-gaze potential within immersive virtual environments

In collaborative situations, eye gaze is a critical element of behavior which supports and fulfills many activities and roles. In current computer-supported collaboration systems, eye gaze is poorly supported. Even in a state-of-the-art video conferencing system such as the access grid, although one can see the face of the user, much of the communicative power of eye gaze is lost. This article gives an overview of some preliminary work that looks towards integrating eye gaze into an immersive collaborative virtual environment and assessing the impact that this would have on interaction between the users of such a system. Three experiments were conducted to assess the efficacy of eye gaze within immersive virtual environments. In each experiment, subjects observed on a large screen the eye-gaze behavior of an avatar. The eye-gaze behavior of that avatar had previously been recorded from a user with the use of a head-mounted eye tracker. The first experiment was conducted to assess the difference between users' abilities to judge what objects an avatar is looking at with only head gaze being viewed and also with eye- and head-gaze data being displayed. The results from the experiment show that eye gaze is of vital importance to the subjects, correctly identifying what a person is looking at in an immersive virtual environment. The second experiment examined whether a monocular or binocular eye-tracker would be required. This was examined by testing subjects' ability to identify where an avatar was looking from their eye direction alone, or by eye direction combined with convergence. This experiment showed that convergence had a significant impact on the subjects' ability to identify where the avatar was looking. The final experiment looked at the effects of stereo and mono-viewing of the scene, with the subjects being asked to identify where the avatar was looking. This experiment showed that there was no difference in the subjects' ability to detect where the avatar was gazing. This is followed by a description of how the eye-tracking system has been integrated into an immersive collaborative virtual environment and some preliminary results from the use of such a system.