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Transfer entropy

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https://www.readbyqxmd.com/read/28916452/symbolic-dynamics-of-animal-interaction
#1
Maurizio Porfiri, Manuel Ruiz Marín
Since its introduction nearly two decades ago, transfer entropy has contributed to an improved understanding of cause-and-effect relationships in coupled dynamical systems from raw time series. In the context of animal behavior, transfer entropy might help explain the determinants of leadership in social groups and elucidate escape response to predator attacks. Despite its promise, the potential of transfer entropy in animal behavior is yet to be fully tested, and a number of technical challenges in information theory and statistics remain open...
September 12, 2017: Journal of Theoretical Biology
https://www.readbyqxmd.com/read/28911681/study-on-the-interaction-of-bioactive-compound-s-allyl-cysteine-from-garlic-with-serum-albumin
#2
Yue-E Sun, Wei-Dong Wang
Multispectroscopic techniques were used to investigate the interaction of S-allyl cysteine (SAC) from garlic with human serum albumin (HSA). UV-Vis absorption measurements prove the formation of the HSA-SAC complex. An analysis of fluorescence spectra revealed that in the presence of SAC, the quenching mechanism of HSA is considered static. The quenching rate constant Kq, KSV, and the binding constant KA were estimated. According to the Van't Hoff equation, the thermodynamic parameters enthalpy change (ΔH) and entropy change (ΔS) were calculated to be -1...
April 2017: Journal of Food and Drug Analysis
https://www.readbyqxmd.com/read/28869520/multi-scale-low-entropy-method-for-optimizing-the-processing-parameters-during-automated-fiber-placement
#3
Zhenyu Han, Shouzheng Sun, Hongya Fu, Yunzhong Fu
Automated fiber placement (AFP) process includes a variety of energy forms and multi-scale effects. This contribution proposes a novel multi-scale low-entropy method aiming at optimizing processing parameters in an AFP process, where multi-scale effect, energy consumption, energy utilization efficiency and mechanical properties of micro-system could be taken into account synthetically. Taking a carbon fiber/epoxy prepreg as an example, mechanical properties of macro-meso-scale are obtained by Finite Element Method (FEM)...
September 3, 2017: Materials
https://www.readbyqxmd.com/read/28863488/detection-of-coupling-delay-a-problem-not-yet-solved
#4
David Coufal, Jozef Jakubík, Nikola Jajcay, Jaroslav Hlinka, Anna Krakovská, Milan Paluš
Nonparametric detection of coupling delay in unidirectionally and bidirectionally coupled nonlinear dynamical systems is examined. Both continuous and discrete-time systems are considered. Two methods of detection are assessed-the method based on conditional mutual information-the CMI method (also known as the transfer entropy method) and the method of convergent cross mapping-the CCM method. Computer simulations show that neither method is generally reliable in the detection of coupling delays. For continuous-time chaotic systems, the CMI method appears to be more sensitive and applicable in a broader range of coupling parameters than the CCM method...
August 2017: Chaos
https://www.readbyqxmd.com/read/28862457/reaction-paths-and-chemical-activation-reactions-of-2-methyl-5-furanyl-radical-with-3-o2
#5
Jason Hudzik, Joseph William Bozzelli
Interest in high-energy substituted furans has been increasing due to their occurrence in biofuel production and their versatility in conversion to other useful products. Methylfurans are the simplest substituted furans and understand their reaction pathways, thermochemical properties, including intermediate species stability, and chemical kinetics would aid in the study of larger furans. Furan ring C-H bonds have been shown to be extremely strong, approximately 120 kcal mol-1, due in part to the placement of the oxygen atom, and aromatic like resonance, both within the ring...
September 1, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28858857/maximum-entropy-analysis-of-polarized-fluorescence-decay-of-e-gfp-in-aqueous-solution
#6
Eugene G Novikov, Victor V Skakun, Jan Willem Borst, Antonie J W G Visser
The Maximum Entropy Method (MEM) was used for the analysis of polarized fluorescence decays of enhanced green fluorescent protein (EGFP) in buffered water/glycerol mixtures, obtained with time-correlated single-photon counting (Visser et al., Methods Appl. Fluoresc. 4 (2016) 035002). To this end, we used a general-purpose software module of MEM that was earlier developed to analyze (complex) laser photolysis kinetics of ligand rebinding reactions in oxygen binding proteins. We demonstrate that the MEM software provides reliable results and is easy to use for the analysis of both total fluorescence decay and fluorescence anisotropy decay of aqueous solutions of EGFP...
August 31, 2017: Methods and Applications in Fluorescence
https://www.readbyqxmd.com/read/28845049/reactive-molecular-dynamics-models-from-ab-initio-molecular-dynamics-data-using-relative-entropy-minimization
#7
Christopher Arntsen, Chen Chen, Gregory A Voth
We present two new multiscale molecular dynamics (MS-RMD) models for the hydrated excess proton in water developed directly from ab initio molecular dynamics (AIMD) simulation data of the same system. The potential of mean force along the proton transfer reaction coordinate and radial distribution functions for the MS-RMD models are shown faithfully reproduce those of AIMD. The models are developed using an algorithm based on relative entropy minimization, thus demonstrating the ability of the method to rapidly generate accurate and highly efficient reactive MD force fields...
September 1, 2017: Chemical Physics Letters
https://www.readbyqxmd.com/read/28833862/thermodynamic-parameters-of-temperature-induced-phase-transition-for-brushes-onto-nanoparticles-hydrophilic-versus-hydrophobic-end-groups-functionalization
#8
Sjören Schweizerhof, Dan Eugen Demco, Ahmed Mourran, Helmut Keul, Radu Fechete, Martin Möller
Quantification of the stimuli-responsive phase transition in polymers is topical and important for the understanding and development of novel stimuli-responsive materials. The temperature-induced phase transition of poly(N-isopropylacrylamide) (PNIPAm) with one thiol end group depends on the confinement-free polymer or polymer brush-on the molecular weight and on the nature of the second end. This paper describes the synthesis of heterotelechelic PNIPAm of different molecular weights with a thiol end group-that specifically binds to gold nanorods and a hydrophilic NIPAm end group by reversible addition-fragmentation chain-transfer polymerization...
August 21, 2017: Macromolecular Rapid Communications
https://www.readbyqxmd.com/read/28817712/study-of-the-cross-market-effects-of-brexit-based-on-the-improved-symbolic-transfer-entropy-garch-model-an-empirical-analysis-of-stock-bond-correlations
#9
Xiurong Chen, Yixiang Tian, Rubo Zhao
In this paper, we study the cross-market effects of Brexit on the stock and bond markets of nine major countries in the world. By incorporating information theory, we introduce the time-varying impact weights based on symbolic transfer entropy to improve the traditional GARCH model. The empirical results show that under the influence of Brexit, flight-to-quality not only commonly occurs between the stocks and bonds of each country but also simultaneously occurs among different countries. We also find that the accuracy of the time-varying symbolic transfer entropy GARCH model proposed in this paper has been improved compared to the traditional GARCH model, which indicates that it has a certain practical application value...
2017: PloS One
https://www.readbyqxmd.com/read/28816654/instantaneous-transfer-entropy-for-the-study-of-cardiovascular-and-cardio-respiratory-nonstationary-dynamics
#10
Gaetano Valenza, Luca Faes, Luca Citi, Michele Orini, Riccardo Barbieri
Measures of Transfer Entropy (TE) quantify the direction and strength of coupling between two complex systems. Standard approaches assume stationarity of the observations, and therefore are unable to track time-varying changes in nonlinear information transfer with high temporal resolution. In this study, we aim to define and validate novel instantaneous measures of transfer entropy to provide an im- proved assessment of complex non-stationary cardio-respiratory interactions.
August 15, 2017: IEEE Transactions on Bio-medical Engineering
https://www.readbyqxmd.com/read/28807238/unravelling-the-complexity-of-signalling-networks-in-cancer-a-review-of-the-increasing-role-for-computational-modelling
#11
REVIEW
John Garland
Cancer induction is a highly complex process involving hundreds of different inducers but whose eventual outcome is the same. Clearly, it is essential to understand how signalling pathways and networks generated by these inducers interact to regulate cell behaviour and create the cancer phenotype. While enormous strides have been made in identifying key networking profiles, the amount of data generated far exceeds our ability to understand how it all "fits together". The number of potential interactions is astronomically large and requires novel approaches and extreme computation methods to dissect them out...
September 2017: Critical Reviews in Oncology/hematology
https://www.readbyqxmd.com/read/28806685/ecofriendly-gold-nanoparticles-lysozyme-interaction-thermodynamical-perspectives
#12
Swarup Roy, Shailendra K Saxena, Suryakant Mishra, Priyanka Yogi, P R Sagdeo, Rajesh Kumar
In the featured work interaction between biosynthesized gold nanoparticles (GNP) and lysozyme (Lys) has been studied using multi-spectroscopic approach. A moderate association constant (Kapp) of 2.66×10(4)L/mol has been observed indicative of interactive nature. The binding constant (Kb) was 1.99, 6.30 and 31.6×10(4)L/mol at 291, 298 and 305K respectively and the number of binding sites (n) was found to be approximately one. Estimated values of thermodynamic parameters (Enthalpy change, ΔH=141.99kJ/mol, entropy change, ΔS=570J/mol/K, Gibbs free energy change, ΔG=-27...
August 8, 2017: Journal of Photochemistry and Photobiology. B, Biology
https://www.readbyqxmd.com/read/28805878/interfacial-entropy-driven-thermophoretic-tweezers
#13
Linhan Lin, Xiaolei Peng, Zhangming Mao, Xiaoling Wei, Chong Xie, Yuebing Zheng
Directed migration of particles and molecules in a temperature gradient field, which is known as thermophoresis or the Soret effect, is of fundamental importance for mass transfer in colloid science and life sciences. However, thermophoretic tweezers that enable versatile particle manipulation have remained elusive due to the complex underlying physical forces in thermophoresis and the lack of general thermophilic particles above room temperature. Herein, we exploit entropic response and permittivity gradient at the particle-solvent interface to optically generated thermal gradient to achieve the thermophoretic trapping and dynamic manipulation of charged particles over an optothermal-responsive substrate...
September 12, 2017: Lab on a Chip
https://www.readbyqxmd.com/read/28805386/solvation-effect-on-complexation-of-alkali-metal-cations-by-a-calix-4-arene-ketone-derivative
#14
Josip Požar, Ivana Nikšić-Franjić, Marija Cvetnić, Katarina Leko, Nikola Cindro, Katarina Pičuljan, Ivana Borilović, Leo Frkanec, Vladislav Tomišić
The medium effect on the complexation of alkali metal cations with a calix[4]arene ketone derivative (L) was systematically examined in methanol, ethanol, N-methylformamide, N,N-dimethylformamide, dimethyl sulfoxide, and acetonitrile. In all solvents the binding of Na(+) cation by L was rather efficient, whereas the complexation of other alkali metal cations was observed only in methanol and acetonitrile. Complexation reactions were enthalpically controlled, while ligand dissolution was endothermic in all cases...
August 31, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28802436/quantifying-the-cognitive-cost-of-laparo-endoscopic-single-site-surgeries-gaze-based-indices
#15
Leandro L Di Stasi, Carolina Díaz-Piedra, Juan Francisco Ruiz-Rabelo, Héctor Rieiro, Jose M Sanchez Carrion, Andrés Catena
BACKGROUND: Despite the growing interest concerning the laparo-endoscopic single-site surgery (LESS) procedure, LESS presents multiple difficulties and challenges that are likely to increase the surgeon's cognitive cost, in terms of both cognitive load and performance. Nevertheless, there is currently no objective index capable of assessing the surgeon cognitive cost while performing LESS. We assessed if gaze-based indices might offer unique and unbiased measures to quantify LESS complexity and its cognitive cost...
November 2017: Applied Ergonomics
https://www.readbyqxmd.com/read/28796797/chaotic-itinerancy-within-the-coupled-dynamics-between-a-physical-body-and-neural-oscillator-networks
#16
Jihoon Park, Hiroki Mori, Yuji Okuyama, Minoru Asada
Chaotic itinerancy is a phenomenon in which the state of a nonlinear dynamical system spontaneously explores and attracts certain states in a state space. From this perspective, the diverse behavior of animals and its spontaneous transitions lead to a complex coupled dynamical system, including a physical body and a brain. Herein, a series of simulations using different types of non-linear oscillator networks (i.e., regular, small-world, scale-free, random) with a musculoskeletal model (i.e., a snake-like robot) as a physical body are conducted to understand how the chaotic itinerancy of bodily behavior emerges from the coupled dynamics between the body and the brain...
2017: PloS One
https://www.readbyqxmd.com/read/28794979/identification-of-the-epileptogenic-zone-of-temporal-lobe-epilepsy-from-stereo-electroencephalography-signals-a-phase-transfer-entropy-and-graph-theory-approach
#17
Meng-Yang Wang, Jing Wang, Jian Zhou, Yu-Guang Guan, Feng Zhai, Chang-Qing Liu, Fei-Fei Xu, Yi-Xian Han, Zhao-Fen Yan, Guo-Ming Luan
The aim of this research is to apply an approach based on phase transfer entropy (PTE) and graph theory to study the interactions between the stereo-electroencephalography (SEEG) activities recorded in multilobar origin, in order to evaluate their ability to detect the epileptogenic zone (EZ) of temporal lobe epilepsies (TLE). Forty-three patients were included in this retrospective study. Five to sixteen (median = 12) multilead electrodes were implanted per patient, and, for each patient, a sub-set of between 10 and 32 (median = 22) bipolar derivations was selected for analysis...
2017: NeuroImage: Clinical
https://www.readbyqxmd.com/read/28791522/pre-processing-and-transfer-entropy-measures-in-motor-neurons-controlling-limb-movements
#18
Fernando P Santos, Carlos D Maciel, Philip L Newland
Directed information transfer measures are increasingly being employed in modeling neural system behavior due to their model-free approach, applicability to nonlinear and stochastic signals, and the potential to integrate repetitions of an experiment. Intracellular physiological recordings of graded synaptic potentials provide a number of additional challenges compared to spike signals due to non-stationary behaviour generated through extrinsic processes. We therefore propose a method to overcome this difficulty by using a preprocessing step based on Singular Spectrum Analysis (SSA) to remove nonlinear trends and discontinuities...
August 9, 2017: Journal of Computational Neuroscience
https://www.readbyqxmd.com/read/28789554/adaptive-coarse-graining-method-for-energy-transfer-and-dissociation-kinetics-of-polyatomic-species
#19
A Sahai, B Lopez, C O Johnston, M Panesi
A novel reduced-order method is presented for modeling reacting flows characterized by strong non-equilibrium of the internal energy level distribution of chemical species in the gas. The approach seeks for a reduced-order representation of the distribution function by grouping individual energy states into macroscopic bins, and then reconstructing state population using the maximum entropy principle. This work introduces an adaptive grouping methodology to identify and lump together groups of states that are likely to equilibrate faster with respect to each other...
August 7, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28780456/synthesis-single-crystal-dna-interaction-spectrophotometric-and-spectroscopic-characterization-of-the-hydrogen-bonded-charge-transfer-complex-of-2-aminopyrimidine-with-%C3%AF-acceptor-chloranilic-acid-at-different-temperature-in-acetonitrile
#20
Zulkarnain, Lal Miyan, Afaq Ahmad, Md Fazle Alam, Hina Younus
The charge transfer (CT) interaction of 2-aminopyrimidine (AP) with chloranilic acid (CLA) as π-acceptor was investigated spectrophotometrically in acetonitrile at different temperatures in the range of 25-50°C. The 1:1 stoichiometry of the synthesized CT complex was detected using straight line method. Benesi-Hildebrand equation was used to determine the association constant (KCT), molar extinction coefficient (ε) and other physical parameters. Various thermodynamics parameters such as enthalpy (ΔH), entropy (ΔS) and free energy (ΔG) were determined using UV-Visible spectrophotometry in acetonitrile at different temperatures...
July 4, 2017: Journal of Photochemistry and Photobiology. B, Biology
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