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Computer Simulation (0):
Recent article
Computer Simulation
Abstract
We propose an alternative approach based on omnibus tests of equality of means and variances and in subject-by-subject analyses (where applicable), and we show that these tests have adequate Type I error rates and power. The approach is illustrated with a re-analysis of published data from a signal...
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PMID: 22059346
PDF is available here.
PDF is available here.
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Abstract
We have thus performed experiments of NO uptake by erythrocytes and microparticles derived from erythrocytes and conducted simulations of these data as well as that of others. We have included extracellular diffusion (that is, diffusion of the NO to the membrane) and membrane permeability, in additi...
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PMID: 21808057
PDF is available here.
PDF is available here.
Abstract
Theoretical and experimental quantitative structure-retention relationships (QSRR) models are useful for characterizing solvent properties and column selectivity in reversed phase liquid chromatography (RPLC). The chromatographic behavior of a model analyte, the herbicide atrazine, in a system derive...
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PMID: 21819857
PDF is available here.
PDF is available here.
Abstract
Compared with the observed intakes, fulfilling the whole set of nutrient constraints systematically decreased total fats and increased total carbohydrates, even in the absence of specific constraints on those macronutrients. For whichever model used, a strong consistency was observed in the dietary...
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PMID: 21900460
PDF is available here.
PDF is available here.
Abstract
We use a model of admixture during a spatial expansion to study the hybridization of Neanderthals with modern humans during their spread out of Africa. We find that observed low levels of Neanderthal ancestry in Eurasians are compatible with a very low rate of interbreeding (2%), potentially attribu...
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PMID: 21911389
PDF is available here.
PDF is available here.
Abstract
We characterized the pharmacokinetics of fentanyl in 15 patients (American Society of Anesthesiologists Physical Status Classification 2 or 3) undergoing living-donor liver transplantation (LDLT). Fentanyl was continuously infused at the rate of 200-400 µg/h throughout the operation. The time cour...
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PMID: 21814196
PDF is available here.
PDF is available here.
Abstract
We put forward the hypothesis that the growing actin network is a critically self-organized system, in which long-range mechanical stresses arising from the interaction with the plasma membrane provide the selective pressure leading to organization. We show that a simple model based only on this pri...
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PMID: 21825142
PDF is available here.
PDF is available here.
Abstract
A new reactive force field to describe proton diffusion within the solid oxide fuel cell material BaZrO(3) has been derived. Using a quantum mechanical potential energy surface, the parameters of an interatomic potential model to describe hydroxyl groups within both pure and yttrium-doped BaZrO(3) ha...
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PMID: 21813946
PDF is available here.
PDF is available here.
Abstract
We present a data mining approach that enables the identification of alternative analog series with different core structures, corresponding substitution patterns, and comparable potency progression. Scaffolds can be exchanged between these series and new analogs suggested that incorporate preferred...
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PMID: 21774471
PDF is available here.
PDF is available here.
Abstract
We present an extension of the activity cliff concept by introducing "activity ridges" that are formed by overlapping "combinatorial" activity cliffs between participating compounds, giving rise to ridge-like structures in activity landscapes. Activity ridges are rich in SAR information. In a system...
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PMID: 21761918
PDF is available here.
PDF is available here.
Abstract
We introduce a similarity-based regression method for assessing the main genetic and interaction effects of a group of markers on quantitative traits. The method uses genetic similarity to aggregate information from multiple polymorphic sites and integrates adaptive weights that depend on allele fre...
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PMID: 21835306
PDF is available here.
PDF is available here.
Abstract
The objective of this study is to assess cost-effectiveness of different biologic strategies in patients with moderate-to-severe active RA after an insufficient response to anti-TNF agents within the context of the Italian healthcare system.
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PMID: 21813056
PDF is available here.
PDF is available here.
Abstract
BWR control rods are activated by neutron reactions in the reactor. The dose produced by this activity can affect workers in the area surrounding the storage pool, where activated rods are stored. Monte Carlo (MC) models for neutron activation and dose assessment around the storage pool have been dev...
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PMID: 21093278
PDF is available here.
PDF is available here.
Abstract
BWR control rods are activated by neutron reactions in the reactor. The dose produced by this activity can affect workers in the area surrounding the storage pool, where activated rods are stored. Monte Carlo (MC) models for neutron activation and dose assessment around the storage pool have been dev...
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PMID: 21093278
PDF is available here.
PDF is available here.
Abstract
To describe the determinants of the severity of the head kinematics of a pedestrian when struck by common sport utility vehicles (SUV) and work utility vehicles (WUVs) to assess how effective assessment protocols are in assessing injury risk for SUVs and work utilities.
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PMID: 21823947
PDF is available here.
PDF is available here.
Abstract
To study the potential of active, passive, and integrated (combined active and passive) safety systems in reducing pedestrian upper body loading in typical impact configurations.
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PMID: 21823948
PDF is available here.
PDF is available here.
Abstract
We evaluated four docking tools-MOE2009, Glide 5.5, QXP-Flo+0802, and Autodock 4.0-for their ability to simulate complexes between these enzymes and RNA oligomers. To validate our results, we analyzed the docking results with respect to the known key interactions between the protein and the nucleoti...
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PMID: 21120556
PDF is available here.
PDF is available here.
Abstract
The electronic and structural properties of pyrrolic ring derivatives were studied using density functional theory (DFT) in terms of their application as organic semiconductor materials in photovoltaic devices. The B3LYP hybrid functional in combination with Pople type 6-31G(d) basis...
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PMID: 21120557
PDF is available here.
PDF is available here.
Abstract
An all-electron scalar relativistic calculation was performed on Au( n )H(2)O (n = 1-13) clusters using density functional theory (DFT) with the generalized gradient approximation at PW91 level. The calculation results reveal that, after adsorption, the small gold cluster would l...
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PMID: 21140279
PDF is available here.
PDF is available here.
Abstract
Our calculations suggest that, in the most kinetically favorable pathway for the titled hydrolysis, three water molecules are directly participating in the hydrogen transfer via an eight-membered cyclic transition state, while the other four water molecules catalyze the hydrolysis of HN = C =...
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PMID: 21161555
PDF is available here.
PDF is available here.
Abstract
First-principles calculations were performed for fluorine-decorated graphene (fluorographene). Three different hexagonal clusters were used-circular (C(24)H(12)), triangular (C(23)H(10)) and rectangular (C(24)H(12))-and the fluorine atoms were randomly distributed in the mesh. Graphe...
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PMID: 21161668
PDF is available here.
PDF is available here.
Abstract
Seventy-five 1,5,6,7-tetrahydro-pyrrolo[3,2-C]pyridinone derivatives displaying potent activities against Cdc7 kinase were selected to establish 3D-QSAR models using CoMFA and CoMSIA methods. Internal and external cross-validation techniques were investigated as well as some measures...
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PMID: 21416222
PDF is available here.
PDF is available here.
Abstract
We address this challenge, developing a new methodology for analysing and quantifying image data and its integration with biophysical models. Specifically we fit a binding kinetics model to 2 colour fluorescence data for cytoskeleton independent synapses (2 and 3D) and test whether the observed inve...
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PMID: 21829338
PDF is available here.
PDF is available here.
Abstract
We simulated mitochondrial deoxynucleotide metabolism and mitochondrial DNA replication. Our results indicate that the output from the mitochondrial salvage enzymes alone is inadequate to support a mitochondrial DNA replication duration of as long as 10 hours. We find that an external source of deox...
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PMID: 21829339
PDF is available here.
PDF is available here.
Hereditas (Beijing) (33)8 2011
Abstract
We review the recent development of these algorithms and models; then list the related software and data sources; and finally discuss the existence problems and perspectives in this field....
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PMID: 21831798
PDF is available here.
PDF is available here.
Abstract
Euler angle decomposition and inverse dynamics were used to determine the knee angles and net forces and moments applied to the tibia during kneeling and squatting with and without kneepads for 10 subjects in four postures: squatting (Squat), kneeling on the right knee (One Knee), bilateral kneeling...
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PMID: 21844612
PDF is available here.
PDF is available here.
Abstract
We observed that the muscle force/GF ratios of major flexor muscles remain particularly stable with respect to the width whereas other muscle ratios differed largely. This may argue for a control strategy in which the actions of flexors were preserved in spite of change in joint postures. The estima...
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PMID: 21844605
PDF is available here.
PDF is available here.
Abstract
We observed translate into differences associated with using traditional regressions to predict anthropometric variables in an aging population. Our data point to a need to consider age, obesity, and gender when utilizing anthropometric data sets and to develop regression models that accurately pred...
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PMID: 21844608
PDF is available here.
PDF is available here.
Abstract
The study proposes a rigid-body biomechanical model of the trunk and whole upper limb including scapula and the test of this model with a kinematic method using a six-dimensional (6-D) electromagnetic motion capture (mocap) device. Large unconstrained natural trunk-assisted reaching movements were re...
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PMID: 21844617
PDF is available here.
PDF is available here.
Chemmedchem (6)8 2011
Abstract
We previously screened a library of analogues based on the ubiquitous PTP substrate para-nitrophenylphosphate (pNPP) and found that incorporation of a 3-phenyl substituent to give 6-nitro-[1,1'-biphenyl]-3-yldihydrogen phosphate (1) enhanced affinity. Herein we report the conversion of 1 from a subs...
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PMID: 21671403
PDF is available here.
PDF is available here.
Abstract
Our results demonstrate that recording amplitude and noise are relatively independent of microelectrode size, but instead are primarily affected by the selected recording bandwidth, impedance of the electrode-tissue interface and the density and firing rates of neurons surrounding the recording elec...
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PMID: 21775783
PDF is available here.
PDF is available here.
Abstract
Abstract
Inaccuracies in the estimation of material properties and errors in the assignment of these properties into finite element models limit the reliability, accuracy, and precision of quantitative computed tomography (QCT)-based finite element analyses of the vertebra. In this work, a new mesh-independen...
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PMID: 21823740
PDF is available here.
PDF is available here.
Abstract
We analyzed the response of a stenotic trachea after a stent implantation. An endotracheal stent is the common treatment for tracheal diseases such as stenosis, chronic cough, or dispnoea episodes. Medical treatment and surgical techniques are still challenging due to the difficulties in overcoming...
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PMID: 21823742
PDF is available here.
PDF is available here.
Abstract
The facet joint contributes to the normal biomechanical function of the spine by transmitting loads and limiting motions via articular contact. However, little is known about the contact pressure response for this joint. Such information can provide a quantitative measure of the facet joint's local e...
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PMID: 21823743
PDF is available here.
PDF is available here.
Abstract
Cerebral aneurysms constitute a major medical challenge as treatment options are limited and often associated with high risks. Statistically, up to 3% of patients with a brain aneurysm may suffer from bleeding for each year of life. Eight percent of all strokes are caused by ruptured aneurysms. In or...
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PMID: 21823744
PDF is available here.
PDF is available here.
Abstract
Our hypothesis is that the experimental protocols influence the mechanical properties of both annulus fibrosus and nucleus pulposus. IVD extracted from bovine tails were tested in unconfined compression stress-relaxation experiments according to six different protocols, where for each protocol, the...
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PMID: 21823745
PDF is available here.
PDF is available here.
Abstract
We conclude that histology sections yield a more consistent measurement of the unloaded dimensions and that there are no significant changes in the mechanical behavior of mouse carotid artery with storage up to 28 days....
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PMID: 21823746
PDF is available here.
PDF is available here.
Abstract
We evaluate how varicella epidemiology is shaped by policies, such as age at first school enrolment, and school eviction. This supports the use of such models for investigating outcomes of public health measures....
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PMID: 21814504
PDF is available here.
PDF is available here.
Abstract
We present a computer simulation of the epithelial tissue in which the global interfacial energy between cells is minimized. Experimental data for both normal cells and mutant cells either lacking or misexpressing the adhesion protein N-cadherin can be explained by a simple model incorporating salie...
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PMID: 21814505
PDF is available here.
PDF is available here.
Abstract
We reassessed this question by performing a global investigation of a genome-scale human metabolic network, which had been reconstructed on the basis of experimental results. By elementary flux pattern analysis, we found numerous pathways on which gluconeogenesis from fatty acids is feasible in huma...
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PMID: 21814506
PDF is available here.
PDF is available here.
Abstract
We examine the game of indirect reciprocity when the reputations of players are not necessarily known to observers and to interacting players. We find that the trustful discriminator, which cooperates with good and unknown players and defects against bad players, realizes cooperative societies under...
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PMID: 21829335
PDF is available here.
PDF is available here.
Abstract
We combined methods of computer simulation and experiments based on circular dichroism (CD) to investigate the structural characteristics of CaM that influence its target recognition in crowded cell-like conditions. We developed a unique multiscale solution of charges computed from quantum chemistry...
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PMID: 21829336
PDF is available here.
PDF is available here.
Abstract
We have built a mathematical model of T(H)17/iT(reg) differentiation that exhibits four different stable steady states, governed by pitchfork bifurcations with certain degrees of broken symmetry. According to the model, a group of precursor cells with some small cell-to-cell variability can differen...
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PMID: 21829337
PDF is available here.
PDF is available here.
Abstract
We built a dynamical model to test whether pure diffusion could account for the observed co-localization of genes within a defined subnuclear region. A simple standard Brownian motion model in two and three dimensions shows that preferential co-localization is possible for co-regulated genes without...
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PMID: 21760760
PDF is available here.
PDF is available here.
Abstract
We propose the sequence kernel association test (SKAT), a supervised, flexible, computationally efficient regression method to test for association between genetic variants (common and rare) in a region and a continuous or dichotomous trait while easily adjusting for covariates. As a score-based var...
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PMID: 21737059
PDF is available here.
PDF is available here.
Medical Physics (38)7 2011
Abstract
A coefficient of a treatment margin model for anisotropic systematic positioning errors has been calculated in Cartesian coordinate system based on van Herk's analytical formulation.
Three-dimensional (3D) patient population distribution was formulated in Cartesian co...
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PMID: 21858987
PDF is available here.
PDF is available here.
Medical Physics (38)7 2011
Abstract
Our aim was to compare different magnet arrangements for magnetic cell delivery to human lower leg arteries and investigate the theoretical targeting efficiency under realistic flow conditions as a possible treatment after angioplasty. Additionally the potential of scaling down or translating the ma...
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PMID: 21858990
PDF is available here.
PDF is available here.
Medical Physics (38)7 2011
Abstract
The calculation of patient-specific dose distribution can be achieved by Monte Carlo simulations or by analytical methods. In this study, FLUKA Monte Carlo code has been considered for use in nuclear medicine dosimetry. Up to now, FLUKA has mainly been dedicated to other fields, name...
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PMID: 21858991
PDF is available here.
PDF is available here.
Medical Physics (38)7 2011
Abstract
These results can offer guidance in the selection of CTV margins for treatment with the CyberKnife....
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PMID: 21859002
PDF is available here.
PDF is available here.
Medical Physics (38)7 2011
Abstract
Many planning methods for high dose rate (HDR) brachytherapy require an iterative approach. A set of computational parameters are hypothesized that will give a dose plan that meets dosimetric criteria. A dose plan is computed using these parameters, and if any dosimetric criteria are...
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PMID: 21859003
PDF is available here.
PDF is available here.
Medical Physics (38)7 2011
Abstract
The invariance of the total direct strand break yield when DNA is irradiated by different types of particles and energies has been reported by previous works. This study is intended to explain the physical causes of this behavior.
The GEANT4-DNA extension of the GEANT...
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PMID: 21859016
PDF is available here.
PDF is available here.
Medical Physics (38)7 2011
Abstract
To determine more accurate regression formulas for estimating peak skin dose (PSD) from reference air kerma (RAK) or kerma-area product (KAP).
After grouping of the data from 21 procedures into 13 clinically similar groups, assessments were made of optimal clustering...
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PMID: 21859021
PDF is available here.
PDF is available here.
Medical Physics (38)7 2011
Abstract
Knowledge of the complete axial dose profile f(z), including its long scatter tails, provides the most complete (and flexible) description of the accumulated dose in CT scanning. The CTDI paradigm (including CTDIvol) requires shift-invariance along z (identical dose profiles spaced S...
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PMID: 21859027
PDF is available here.
PDF is available here.
Medical Physics (38)7 2011
Abstract
Optoacoustic imaging enables mapping the optical absorption of biological tissue using optical excitation and acoustic detection. Although most image-reconstruction algorithms are based on the assumption of a detector with an isotropic sensitivity, the geometry of the detector often...
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PMID: 21859030
PDF is available here.
PDF is available here.
Medical Physics (38)7 2011
Abstract
Ultraviolet phototherapy is a widely used treatment which has exceptional success with a variety of skin conditions. Over-exposure to ultraviolet radiation (UVR) can however be detrimental and cause side effects such as erythema, photokeratisis, and even skin cancer. Quantifying pati...
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PMID: 21859032
PDF is available here.
PDF is available here.
Medical Physics (38)7 2011
Abstract
This work describes a spatially variant mixture model constrained by a Markov random field to model high angular resolution diffusion imaging (HARDI) data. Mixture models suit HARDI well because the attenuation by diffusion is inherently a mixture. The goal is to create a general mod...
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PMID: 21859036
PDF is available here.
PDF is available here.
Medical Physics (38)7 2011
Abstract
To evaluate the feasibility of line-focused ultrasound for thermal ablation of superficially located tumors.
A SonoKnife is a cylindrical-section ultrasound transducer designed to radiate from its concave surface. This geometry generates a line-focus or acoustic edge....
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PMID: 21859038
PDF is available here.
PDF is available here.
Medical Physics (38)7 2011
Abstract
We validate the algorithm using a physical phantom and obtain volumes that are comparable to those from physically determined means. The algorithm segments volumes with an error of within 13% as determined using a physical phantom.
Our original work in fetal cardiac segmentation comp...
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PMID: 21859035
PDF is available here.
PDF is available here.
Medical Physics (38)7 2011
Abstract
A radical radiation therapy treatment for gliomas requires extremely high absorbed doses resulting in subsequent deleterious side effects in healthy tissue. Microbeam radiation therapy (MRT) is an innovative technique based on the fact that normal tissue can withstand high radiation...
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PMID: 21859044
PDF is available here.
PDF is available here.