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https://www.readbyqxmd.com/read/28545135/maximum-flow-based-resilience-analysis-from-component-to-system
#1
Chong Jin, Ruiying Li, Rui Kang
Resilience, the ability to withstand disruptions and recover quickly, must be considered during system design because any disruption of the system may cause considerable loss, including economic and societal. This work develops analytic maximum flow-based resilience models for series and parallel systems using Zobel's resilience measure. The two analytic models can be used to evaluate quantitatively and compare the resilience of the systems with the corresponding performance structures. For systems with identical components, the resilience of the parallel system increases with increasing number of components, while the resilience remains constant in the series system...
2017: PloS One
https://www.readbyqxmd.com/read/28544113/the-role-of-water-in-catalyst-free-aldol-reaction-of-water-insoluble-n-methyl-2-4-thiazolidinedione-with-n-methyl-isatin-from-qm-mm-monte-carlo-simulation
#2
Jianming Zhao, Fen He, Fan Zhang, Xin Yang, Zhiyue Tian, Ying Xue
The role of water in the uncatalyzed aldol reaction of N-methyl-2,4-thiazolidinedione with N-methyl-isatin has been investigated using Monte Carlo statistical mechanics simulations utilizing the free-energy perturbation theory and the QM/MM model with PDDG/PM3 for the QM method under the "on water" and dimethyl sulfoxide (DMSO) environments. There are several conceivable orientations between thiazolidinedione and isatin in the process of C-C bond formation. However, the formation of C-C bond takes place between the re face of isatin and the si face of E-enol of the thiazolidinedione to form the preferred anti-type product, which results from enhancing hydrogen bonding interaction between water molecules and the oxygen atoms undergoing bond broken and bond formation during the reaction...
May 23, 2017: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
https://www.readbyqxmd.com/read/28542866/pharmacokinetic-pharmacodynamic-evaluation-of-marbofloxacin-as-a-single-injection-for-pasteurellaceae-respiratory-infections-in-cattle-using-population-pharmacokinetics-and-monte-carlo-simulations
#3
A Paulin, M Schneider, F Dron, F Woehrle
Population pharmacokinetic of marbofloxacin was investigated with 52 plasma concentration-time profiles obtained after intramuscular administration of Forcyl® in cattle. Animal's status, pre-ruminant, ruminant, or dairy cow, was retained as a relevant covariate for clearance. Monte Carlo simulations were performed using a stratification by status, and 1000 virtual disposition curves were generated in each bovine subpopulation for the recommended dosage regimen of 10 mg/kg as a single injection. The probability of target attainment (PTA) of pharmacokinetic/pharmacodynamic (PK/PD) ratios associated with clinical efficacy and prevention of resistance was determined in each simulated subpopulation...
May 19, 2017: Journal of Veterinary Pharmacology and Therapeutics
https://www.readbyqxmd.com/read/28541905/inferring-gene-species-assignments-in-the-presence-of-horizontal-gene-transfer
#4
Agnieszka Mykowiecka, Pawel Szczesny, Pawel Gorecki
BACKGROUND: Microbial communities from environmental samples show great diversity as bacteria quickly response to changes in their ecosystems. To assess the scenario of the actual changes, metagenomics experiments aimed at sequencing genomic DNA from such samples are performed. These new obtained sequences together with already known are used to infer phylogenetic trees assessing the taxonomic groups the species with these genes belong to. Here we propose the first approach to the gene-species assignment problem by using reconciliation with horizontal gene transfer...
May 24, 2017: IEEE/ACM Transactions on Computational Biology and Bioinformatics
https://www.readbyqxmd.com/read/28541904/diffusion-based-model-for-synaptic-molecular-communication-channel
#5
Tooba Khan, Bilgesu A Bilgin, Ozgur B Akan
Computational methods have been extensively used to understand underlying dynamics of molecular communication methods employed by nature. One very effective and popular approach is to utilize a Monte Carlo simulation. Although it is very reliable, this method can have a very high computational cost, which in some cases renders the simulation impractical. Therefore, in this paper, for the special case of an excitatory synaptic molecular communication channel, we present a novel mathematical model for the diffusion and binding of neurotransmitters that takes into account the effects of synaptic geometry in three-dimensional space and re-absorption of neurotransmitters by the transmitting neuron...
May 23, 2017: IEEE Transactions on Nanobioscience
https://www.readbyqxmd.com/read/28541220/mgt-sm-a-method-for-constructing-cellular-signal-transduction-networks
#6
Min Li, Ruiqing Zheng, Yaohang Li, Fang-Xiang Wu, Jianxin Wang
A cellular signal transduction network is an important means to describe biological responses to environmental stimuli and exchange of biological signals. Constructing the cellular signal transduction network provides an important basis for the study of the biological activities, the mechanism of the diseases, drug targets and so on. The statistical approaches to network inference are popular in literature. Granger test has been used as an effective method for causality inference. Compared with bivariate granger tests, multivariate granger tests reduce the indirect causality and were used widely for the construction of cellular signal transduction networks...
May 19, 2017: IEEE/ACM Transactions on Computational Biology and Bioinformatics
https://www.readbyqxmd.com/read/28541188/a-variable-state-dimension-approach-to-meal-detection-and-meal-size-estimation-in-silico-evaluation-through-basal-bolus-insulin-therapy-for-type-1-diabetes
#7
Jinyu Xie, Qian Wang
OBJECTIVE: This paper aims to develop an algorithm that can detect unannounced meals and estimate meal sizes to achieve a robust glucose control. METHODS: A variable state dimension (VSD) algorithm is developed to detect unannounced meals and estimate meal sizes, where a Kalman filter operates on a quiescent state model when no meal is detected, and switches to a maneuvering state model to estimate meal information once the meal-induced glucose variability is statistically significant...
June 2017: IEEE Transactions on Bio-medical Engineering
https://www.readbyqxmd.com/read/28540267/modeling-the-burden-of-cardiovascular-diseases-in-iran-from-2005-to-2025-the-impact-of-demographic-changes
#8
Masoumeh Sadeghi, Ali Akbar Haghdoost, Abbas Bahrampour, Mohsen Dehghani
BACKGROUND: Estimating the burden of non-communicable diseases particularly cardiovascular disease (CVD) is essential for health management and policymaking. In this paper, we used a regression model to estimate the future impact of demographic changes on the burden of CVD in Iran during the next two decades. METHODS: Disability-adjusted life years (DALY) were used to estimate the future burden of CVD in Iran. A regression model was used to estimate DALY caused by CVD in the Iranian population aged 30-100 yr, stratified by age group and sex...
April 2017: Iranian Journal of Public Health
https://www.readbyqxmd.com/read/28539626/nano-assembly-of-amyloid-%C3%AE-peptide-role-of-the-hairpin-fold
#9
Sibaprasad Maity, Mohtadin Hashemi, Yuri L Lyubchenko
Structural investigations have revealed that β hairpin structures are common features in amyloid fibrils, suggesting that these motifs play an important role in amyloid assembly. To test this hypothesis, we characterized the effect of the hairpin fold on the aggregation process using a model β hairpin structure, consisting of two Aβ(14-23) monomers connected by a turn forming YNGK peptide. AFM studies of the assembled aggregates revealed that the hairpin forms spherical structures whereas linear Aβ(14-23) monomers form fibrils...
May 24, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28538155/structure-and-intermolecular-interactions-between-l-type-straight-flagellar-filaments
#10
Daniel Louzon, Avi Ginsburg, Walter Schwenger, Tom Dvir, Zvonimir Dogic, Uri Raviv
Bacterial mobility is powered by rotation of helical flagellar filaments driven by rotary motors. Flagellin isolated from the Salmonella Typhimurium SJW1660 strain, which differs by a point mutation from the wild-type strain, assembles into straight filaments in which flagellin monomers are arranged in a left-handed helix. Using small-angle x-ray scattering and osmotic stress methods, we investigated the structure of SJW1660 flagellar filaments as well as the intermolecular forces that govern their assembly into dense hexagonal bundles...
May 23, 2017: Biophysical Journal
https://www.readbyqxmd.com/read/28538110/the-effect-of-individual-movements-and-interventions-on-the-spread-of-influenza-in-long-term-care-facilities
#11
Mehdi Najafi, Marek Laskowski, Pieter T de Boer, Evelyn Williams, Ayman Chit, Seyed M Moghadas
BACKGROUND: Nosocomial influenza poses a serious risk among residents of long-term care facilities (LTCFs). OBJECTIVE: We sought to evaluate the effect of resident and staff movements and contact patterns on the outcomes of various intervention strategies for influenza control in an LTCF. METHODS: We collected contact frequency data in Canada's largest veterans' LTCF by enroling residents and staff into a study that tracked their movements through wireless tags and signal receivers...
May 1, 2017: Medical Decision Making: An International Journal of the Society for Medical Decision Making
https://www.readbyqxmd.com/read/28535919/precision-iort-image-guided-intraoperative-radiation-therapy-igiort-using-online-treatment-planning-including-tissue-heterogeneity-correction
#12
Frank Schneider, Frederic Bludau, Sven Clausen, Jens Fleckenstein, Udo Obertacke, Frederik Wenz
BACKGROUND: To the present date, IORT has been eye and hand guided without treatment planning and tissue heterogeneity correction. This limits the precision of the application and the precise documentation of the location and the deposited dose in the tissue. Here we present a set-up where we use image guidance by intraoperative cone beam computed tomography (CBCT) for precise online Monte Carlo treatment planning including tissue heterogeneity correction. MATERIALS AND METHODS: An IORT was performed during balloon kyphoplasty using a dedicated Needle Applicator...
May 2017: Physica Medica: PM
https://www.readbyqxmd.com/read/28535355/effect-of-composition-asymmetry-on-the-phase-separation-and-crystallization-in-double-crystalline-binary-polymer-blends-a-dynamic-monte-carlo-simulation-study
#13
Ashok Kumar Dasmahapatra
Polymer blends offer an exciting material for various potential applications due to their tunable properties by varying constituting components and their relative composition. Our simulation results unravel an intrinsic relationship between crystallization behavior and composition asymmetry. We report simulation results for non-isothermal and isothermal crystallization with weak and strong segregation strength to elucidate the composition dependent crystallization behavior. With increasing composition of low melting B-polymer, macrophase separation temperature changes non-monotonically, which is attributed to the non-monotonic change in diffusivity of both the polymers...
May 23, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28535146/role-of-spatial-inhomogenity-in-gpcr-dimerisation-predicted-by-receptor-association-diffusion-models
#14
Sneha A Deshpande, Aiswarya B Pawar, Anish Dighe, Chaitanya A Athale, Durba Sengupta
G protein-coupled receptor (GPCR) association is an emerging paradigm with far reaching implications in the regulation of signalling pathways and therapeutic interventions. Recent super resolution microscopy studies have revealed that receptor dimer steady state exhibits sub-second dynamics. In particular the GPCRs, muscarinic acetylcholine receptor M1 (M1MR) and formyl peptide receptor (FPR), have been demonstrated to exhibit a fast association/dissociation kinetics, independent of ligand binding. In this work, we have developed a spatial kinetic Monte Carlo model to investigate receptor homo-dimerisation at a single receptor resolution...
May 23, 2017: Physical Biology
https://www.readbyqxmd.com/read/28534799/expectation-maximization-algorithm-for-box-cox-transformation-cure-rate-model-and-assessment-of-model-mis-specication-under-weibull-lifetimes
#15
Suvra Pal, N Balakrishnan
In this paper, we develop likelihood inference based on the expectation maximization (EM) algorithm for the Box- Cox transformation cure rate model assuming the lifetimes to follow a Weibull distribution. A simulation study is carried out to demonstrate the performance of the proposed estimation method. Through Monte Carlo simulations, we also study the effect of model mis-specification on the estimate of cure rate. Finally, we analyze a well-known data on melanoma with the model and the inferential method developed here...
May 16, 2017: IEEE Journal of Biomedical and Health Informatics
https://www.readbyqxmd.com/read/28534567/intrinsic-ferromagnetism-and-quantum-anomalous-hall-effect-in-a-cobr2-monolayer
#16
Peng Chen, Jin-Yu Zou, Bang-Gui Liu
The electronic, magnetic, and topological properties of a CoBr2 monolayer are studied in the framework of density-functional theory (DFT) combined with tight-binding (TB) modeling in terms of the Wannier basis. Our DFT investigation and Monte Carlo simulation show that there exists intrinsic two-dimensional ferromagnetism in the CoBr2 monolayer, thanks to the large out-of-plane magnetocrystalline anisotropic energy. Our further study indicates that the spin-orbit coupling makes it become a topologically nontrivial insulator with a quantum anomalous Hall effect and topological Chern number [script C] = 4 and its edge states can be manipulated by changing the width of its nanoribbons and applying strains...
May 23, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28534238/a-fast-algorithm-for-bayesian-multi-locus-model-in-genome-wide-association-studies
#17
Weiwei Duan, Yang Zhao, Yongyue Wei, Sheng Yang, Jianling Bai, Sipeng Shen, Mulong Du, Lihong Huang, Zhibin Hu, Feng Chen
Genome-wide association studies (GWAS) have identified a large amount of single-nucleotide polymorphisms (SNPs) associated with complex traits. A recently developed linear mixed model for estimating heritability by simultaneously fitting all SNPs suggests that common variants can explain a substantial fraction of heritability, which hints at the low power of single variant analysis typically used in GWAS. Consequently, many multi-locus shrinkage models have been proposed under a Bayesian framework. However, most use Markov Chain Monte Carlo (MCMC) algorithm, which are time-consuming and challenging to apply to GWAS data...
May 22, 2017: Molecular Genetics and Genomics: MGG
https://www.readbyqxmd.com/read/28533539/a-single-walker-approach-for-studying-quasi-nonergodic-systems
#18
Zilvinas Rimas, Sergei N Taraskin
The jump-walking Monte-Carlo algorithm is revisited and updated to study the equilibrium properties of systems exhibiting quasi-nonergodicity. It is designed for a single processing thread as opposed to currently predominant algorithms for large parallel processing systems. The updated algorithm is tested on the Ising model and applied to the lattice-gas model for sorption in aerogel at low temperatures, when dynamics of the system is critically slowed down. It is demonstrated that the updated jump-walking simulations are able to produce equilibrium isotherms which are typically hidden by the hysteresis effect characteristic of the standard single-flip simulations...
May 22, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28532194/cost-effectiveness-of-ceftolozane-tazobactam-plus-metronidazole-compared-with-piperacillin-tazobactam-as-empiric-therapy-for-the-treatment-of-complicated-intra-abdominal-infections-based-on-the-in-vitro-surveillance-of-bacterial-isolates-in-the-uk
#19
Vimalanand Prabhu, Jason Foo, Harblas Ahir, Eric Sarpong, Sanjay Merchant
AIMS: An increase in the prevalence of antimicrobial resistance among gram-negative pathogens has been noted recently.[1] A challenge in empiric treatment of complicated intra-abdominal infection (cIAI) is identifying initial appropriate antibiotic therapy, which is associated with reduced length of stay and mortality compared with inappropriate therapy. The objective of this study was to assess the cost-effectiveness of ceftolozane/tazobactam+metronidazole compared with piperacillin/tazobactam (commonly used in this indication) in the treatment of patients with cIAI in United Kingdom (UK) hospitals...
May 22, 2017: Journal of Medical Economics
https://www.readbyqxmd.com/read/28531153/pseudorange-measurement-method-based-on-ais-signals
#20
Jingbo Zhang, Shufang Zhang, Jinpeng Wang
In order to use the existing automatic identification system (AIS) to provide additional navigation and positioning services, a complete pseudorange measurements solution is presented in this paper. Through the mathematical analysis of the AIS signal, the bit-0-phases in the digital sequences were determined as the timestamps. Monte Carlo simulation was carried out to compare the accuracy of the zero-crossing and differential peak, which are two timestamp detection methods in the additive white Gaussian noise (AWGN) channel...
May 22, 2017: Sensors
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