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https://www.readbyqxmd.com/read/29350559/visualizing-3d-food-microstructure-using-tomographic-methods-advantages-and-disadvantages
#1
Zi Wang, Els Herremans, Siem Janssen, Dennis Cantre, Pieter Verboven, Bart Nicolaï
X-ray micro-computed tomography (micro-CT) provides the unique ability to capture intact internal microstructure data without significant preparation of the sample. The fundamentals of micro-CT technology are briefly described along with a short introduction to basic image processing, quantitative analysis, and derivative computational modeling. The applications and limitations of micro-CT in industries such as meat, dairy, postharvest, and bread/confectionary are discussed to serve as a guideline to the plausibility of utilizing the technique for detecting features of interest...
January 18, 2018: Annual Review of Food Science and Technology
https://www.readbyqxmd.com/read/29350398/use-of-computational-functional-genomics-in-drug-discovery-and-repurposing-for-analgesic-indications
#2
Jörn Lötsch, Dario Kringel
The novel research area of functional genomics investigates biochemical, cellular, or physiological properties of gene products with the goal of understanding the relationship between the genome and the phenotype. These developments have made analgesic drug research a data-rich discipline mastered only by making use of parallel developments in computer science, including the establishment of knowledge bases, mining methods for big data, machine-learning, and artificial intelligence, (Table ) which will be exemplarily introduced in the following...
January 19, 2018: Clinical Pharmacology and Therapeutics
https://www.readbyqxmd.com/read/29347271/machine-learning-approach-for-local-classification-of-crystalline-structures-in-multiphase-systems
#3
C Dietz, T Kretz, M H Thoma
Machine learning is one of the most popular fields in computer science and has a vast number of applications. In this work we will propose a method that will use a neural network to locally identify crystal structures in a mixed phase Yukawa system consisting of fcc, hcp, and bcc clusters and disordered particles similar to plasma crystals. We compare our approach to already used methods and show that the quality of identification increases significantly. The technique works very well for highly disturbed lattices and shows a flexible and robust way to classify crystalline structures that can be used by only providing particle positions...
July 2017: Physical Review. E
https://www.readbyqxmd.com/read/29346956/pseudoinverse-of-the-laplacian-and-best-spreader-node-in-a-network
#4
P Van Mieghem, K Devriendt, H Cetinay
Determining a set of "important" nodes in a network constitutes a basic endeavor in network science. Inspired by electrical flows in a resistor network, we propose the best conducting node j in a graph G as the minimizer of the diagonal element Q_{jj}^{†} of the pseudoinverse matrix Q^{†} of the weighted Laplacian matrix of the graph G. We propose a new graph metric that complements the effective graph resistance R_{G} and that specifies the heterogeneity of the nodal spreading capacity in a graph. Various formulas and bounds for the diagonal element Q_{jj}^{†} are presented...
September 2017: Physical Review. E
https://www.readbyqxmd.com/read/29346652/toward-rational-antibody-design-recent-advancements-in-molecular-dynamics-simulations
#5
Takefumi Yamashita
Because antibodies have become an important therapeutic tool, rational antibody design is a challenging issue involving various science and technology fields. From the computational aspect, many types of design-assist methods have been developed, but their accuracy is not fully satisfactory. Because of recent advancements in computational power, molecular dynamics (MD) simulation has become a helpful tool to trace the motion of proteins and to characterize their properties. Thus, MD simulation has been applied to various systems involving antigen-antibody complexes and has been shown to provide accurate insight into antigen-antibody interactions and dynamics at an atomic resolution...
January 15, 2018: International Immunology
https://www.readbyqxmd.com/read/29346288/application-of-computational-intelligence-to-improve-education-in-smart-cities
#6
Everton Gomede, Fernando Henrique Gaffo, Gabriel Ulian Briganó, Rodolfo Miranda de Barros, Leonardo de Souza Mendes
According to UNESCO, education is a fundamental human right and every nation's citizens should be granted universal access with equal quality to it. Because this goal is yet to be achieved in most countries, in particular in the developing and underdeveloped countries, it is extremely important to find more effective ways to improve education. This paper presents a model based on the application of computational intelligence (data mining and data science) that leads to the development of the student's knowledge profile and that can help educators in their decision making for best orienting their students...
January 18, 2018: Sensors
https://www.readbyqxmd.com/read/29345630/completely-flat-two-dimensional-zn-sub-3-sub-o-sub-2-sub-monolayer-with-triangle-and-pentangle-coordinated-networks
#7
Lingbiao Meng, Yingjuan Zhang, Jicheng Zhang, Weidong Wu
Two-dimensional (2D) materials with strictly planar hyper-coordinated motifs are of great importance in fundamental science and potential applications but extremely rare. Here we theoretically design a novel 2D IIB-VIA inorganic system, namely Zn3O2 monolayer, by comprehensive first-principles computations. This Zn3O2 monolayer is composed from highly symmetrical tri-coordinated oxygen and tetra-coordinated zinc, featuring planar and peculiar triangle and pentangle combined bonded network. The newly predicted Zn3O2 monolayer possesses excellent dynamic and thermal stabilities and is also the lowest-energy structure of its 2D space indicated by particle swarm search, supporting its experimentally synthetic viability...
January 18, 2018: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/29341656/quantum-correlations-in-nonlocal-boson-sampling
#8
Farid Shahandeh, Austin P Lund, Timothy C Ralph
Determination of the quantum nature of correlations between two spatially separated systems plays a crucial role in quantum information science. Of particular interest is the questions of if and how these correlations enable quantum information protocols to be more powerful. Here, we report on a distributed quantum computation protocol in which the input and output quantum states are considered to be classically correlated in quantum informatics. Nevertheless, we show that the correlations between the outcomes of the measurements on the output state cannot be efficiently simulated using classical algorithms...
September 22, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/29341251/residue-packing-in-globular-and-intrinsically-disordered-proteins
#9
Rasim Murat Aydinkal, Elife Zerrin Bagci
Intrinsically disordered proteins/regions do not have well-defined secondary and tertiary structures, however, they are functional and it is critical to gain a deep understanding of their residue packing. The shape distributions methodology, which is usually utilized in pattern recognition, clustering and classification studies in computer science, may be adopted to study the residue packing of the proteins. In this study, shape distributions of the globular proteins and intrinsically disordered proteins (IDPs) were obtained to shed light on the residue packing of their structures...
January 17, 2018: Proteins
https://www.readbyqxmd.com/read/29341027/developing-deep-learning-applications-for-life-science-and-pharma-industry
#10
Daniel Siegismund, Vasily Tolkachev, Stephan Heyse, Beate Sick, Oliver Duerr, Stephan Steigele
Deep Learning has boosted artificial intelligence over the past 5 years and is seen now as one of the major technological innovation areas, predicted to replace lots of repetitive, but complex tasks of human labor within the next decade. It is also expected to be 'game changing' for research activities in pharma and life sciences, where large sets of similar yet complex data samples are systematically analyzed. Deep learning is currently conquering formerly expert domains especially in areas requiring perception, previously not amenable to standard machine learning...
January 16, 2018: Drug Research
https://www.readbyqxmd.com/read/29340803/robust-exponential-memory-in-hopfield-networks
#11
Christopher J Hillar, Ngoc M Tran
The Hopfield recurrent neural network is a classical auto-associative model of memory, in which collections of symmetrically coupled McCulloch-Pitts binary neurons interact to perform emergent computation. Although previous researchers have explored the potential of this network to solve combinatorial optimization problems or store reoccurring activity patterns as attractors of its deterministic dynamics, a basic open problem is to design a family of Hopfield networks with a number of noise-tolerant memories that grows exponentially with neural population size...
January 16, 2018: Journal of Mathematical Neuroscience
https://www.readbyqxmd.com/read/29338691/morca-ubiquitous-access-to-life-science-web-services
#12
Sergio Diaz-Del-Pino, Oswaldo Trelles, Juan Falgueras
BACKGROUND: Technical advances in mobile devices such as smartphones and tablets have produced an extraordinary increase in their use around the world and have become part of our daily lives. The possibility of carrying these devices in a pocket, particularly mobile phones, has enabled ubiquitous access to Internet resources. Furthermore, in the life sciences world there has been a vast proliferation of data types and services that finish as Web Services. This suggests the need for research into mobile clients to deal with life sciences applications for effective usage and exploitation...
January 16, 2018: BMC Genomics
https://www.readbyqxmd.com/read/29338240/biki-life-sciences-a-new-suite-for-molecular-dynamics-and-related-methods-in-drug-discovery
#13
Sergio Decherchi, Giovanni Bottegoni, Andrea Spitaleri, Walter Rocchia, Andrea Cavalli
In this paper, we introduce the BiKi Life Sciences suite. This software makes it easy for computational medicinal chemists to run ad hoc molecular dynamics protocols in a novel and task-oriented environment; as a notebook, BiKi keeps memory of any activity together with dependencies among them. It offers unique accelerated protein-ligand binding/unbinding methods, and other useful tools to gain actionable knowledge from MD simulations and to simplify the drug discovery process.
January 17, 2018: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/29338013/dynamical-networks-of-influence-in-small-group-discussions
#14
Mehdi Moussaïd, Alejandro Noriega Campero, Abdullah Almaatouq
In many domains of life, business and management, numerous problems are addressed by small groups of individuals engaged in face-to-face discussions. While research in social psychology has a long history of studying the determinants of small group performances, the internal dynamics that govern a group discussion are not yet well understood. Here, we rely on computational methods based on network analyses and opinion dynamics to describe how individuals influence each other during a group discussion. We consider the situation in which a small group of three individuals engages in a discussion to solve an estimation task...
2018: PloS One
https://www.readbyqxmd.com/read/29337996/occupational-exposure-to-human-mycobacterium-bovis-infection-a-systematic-review
#15
Flora Vayr, Guillaume Martin-Blondel, Frederic Savall, Jean-Marc Soulat, Gaëtan Deffontaines, Fabrice Herin
BACKGROUND: Mycobacterium bovis (M. bovis) is the main causative agent of bovine zoonotic tuberculosis. The aim of this systematic review is to highlight the occupational exposure to bovine tuberculosis due to M. bovis. METHODOLOGY/PRINCIPAL FINDINGS: A computer based literature search was carried out to identify papers published between January 2006 and March 2017. "PubMed, Cochrane Library and Science Direct" databases were searched systematically. Articles presenting the following properties were included: (i) focusing on M...
January 16, 2018: PLoS Neglected Tropical Diseases
https://www.readbyqxmd.com/read/29336514/machine-learned-analysis-of-quantitative-sensory-testing-responses-to-noxious-cold-stimulation-in-healthy-subjects
#16
I Weyer-Menkhoff, M C Thrun, J Lötsch
BACKGROUND: Pain in response to noxious cold has a complex molecular background probably involving several types of sensors. A recent observation has been the multimodal distribution of human cold pain thresholds. This study aimed at analysing reproducibility and stability of this observation and further exploration of data patterns supporting a complex background. METHOD: Pain thresholds to noxious cold stimuli (range 32-0 °C, tonic: temperature decrease -1 °C/s, phasic: temperature decrease -8 °C/s) were acquired in 148 healthy volunteers...
January 16, 2018: European Journal of Pain: EJP
https://www.readbyqxmd.com/read/29335777/fully-automatic-ct-histogram-based-fat-estimation-in-dead-bodies
#17
Michael Hubig, Sebastian Schenkl, Holger Muggenthaler, Felix Güttler, Andreas Heinrich, Ulf Teichgräber, Gita Mall
Post-mortem body cooling is the foundation of temperature-based death time estimations (TDE) in homicide cases. Forensic science generally provides two types of p.m. body cooling models, the phenomenological and the physical models. Since both of them have to implement important individual parameters like the quantity of abdominal fat explicitly or implicitly, a more exact quantification and localization of abdominal fat is a desideratum in TDE. Particularly for the physical models, a better knowledge of the abdominal fat distribution could lead to relevant improvements in TDEs...
January 15, 2018: International Journal of Legal Medicine
https://www.readbyqxmd.com/read/29334237/safety-of-working-patterns-among-uk-neuroradiologists-what-can-we-learn-from-the-aviation-industry-and-cognitive-science
#18
John Reicher, Stuart Currie, Daniel Birchall
As the volume and complexity of imaging in the UK continues to rise, there is pressure on radiologists to spend increasing lengths of time reporting to cope with the growing workload. However, there is limited guidance for radiologists about structuring the working day to achieve the necessary balance between satisfactory reporting volume and maintaining quality and safety. We surveyed 86 Neuroradiologists (receiving 59 responses), regarding time spent reporting, frequency and duration of work breaks, and break activities...
January 15, 2018: British Journal of Radiology
https://www.readbyqxmd.com/read/29331137/molecular-dynamics-based-enhanced-sampling-of-collective-variables-with-very-large-time-steps
#19
Pei-Yang Chen, Mark E Tuckerman
Enhanced sampling techniques that target a set of collective variables and that use molecular dynamics as the driving engine have seen widespread application in the computational molecular sciences as a means to explore the free-energy landscapes of complex systems. The use of molecular dynamics as the fundamental driver of the sampling requires the introduction of a time step whose magnitude is limited by the fastest motions in a system. While standard multiple time-stepping methods allow larger time steps to be employed for the slower and computationally more expensive forces, the maximum achievable increase in time step is limited by resonance phenomena, which inextricably couple fast and slow motions...
January 14, 2018: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29331129/perspective-structural-fluctuation-of-protein-and-anfinsen-s-thermodynamic-hypothesis
#20
Fumio Hirata, Masatake Sugita, Masasuke Yoshida, Kazuyuki Akasaka
The thermodynamics hypothesis, casually referred to as "Anfinsen's dogma," is described theoretically in terms of a concept of the structural fluctuation of protein or the first moment (average structure) and the second moment (variance and covariance) of the structural distribution. The new theoretical concept views the unfolding and refolding processes of protein as a shift of the structural distribution induced by a thermodynamic perturbation, with the variance-covariance matrix varying. Based on the theoretical concept, a method to characterize the mechanism of folding (or unfolding) is proposed...
January 14, 2018: Journal of Chemical Physics
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