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https://www.readbyqxmd.com/read/28345879/vibrational-probes-from-small-molecule-solvatochromism-theory-and-experiments-to-applications-in-complex-systems
#1
Bartosz Błasiak, Casey H Londergan, Lauren J Webb, Minhaeng Cho
The vibrational frequency of a chosen normal mode is one of the most accurately measurable spectroscopic properties of molecules in condensed phases. Accordingly, infrared absorption and Raman scattering spectroscopy have provided valuable information on both distributions and ensemble-average values of molecular vibrational frequencies, and these frequencies are now routinely used to investigate structure, conformation, and even absolute configuration of chemical and biological molecules of interest. Recent advancements in coherent time-domain nonlinear vibrational spectroscopy have allowed the study of heterogeneous distributions of local structures and thermally driven ultrafast fluctuations of vibrational frequencies...
March 27, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28343123/estimation-of-red-light-running-frequency-using-high-resolution-traffic-and-signal-data
#2
Peng Chen, Guizhen Yu, Xinkai Wu, Yilong Ren, Yueguang Li
Red-light-running (RLR) emerges as a major cause that may lead to intersection-related crashes and endanger intersection safety. To reduce RLR violations, it's critical to identify the influential factors associated with RLR and estimate RLR frequency. Without resorting to video camera recordings, this study investigates this important issue by utilizing high-resolution traffic and signal event data collected from loop detectors at five intersections on Trunk Highway 55, Minneapolis, MN. First, a simple method is proposed to identify RLR by fully utilizing the information obtained from stop bar detectors, downstream entrance detectors and advance detectors...
March 23, 2017: Accident; Analysis and Prevention
https://www.readbyqxmd.com/read/28339277/turbulence-nonlinearities-shed-light-on-geometric-asymmetry-in-tokamak-confinement-transitions
#3
I Cziegler, A E Hubbard, J W Hughes, J L Terry, G R Tynan
A comprehensive study of fully frequency-resolved nonlinear kinetic energy transfer has been performed for the first time in a diverted tokamak, providing new insight into the parametric dependences of edge turbulence transitions. Measurements using gas puff imaging in the turbulent L-mode state illuminate the source of the long known but as yet unexplained "favorable-unfavorable" geometric asymmetry of the power threshold for transition to the turbulence-suppressed H mode. Results from the recently discovered I mode point to a competition between zonal flow (ZF) and geodesic-acoustic modes (GAM) for turbulent energy, while showing new evidence that the I-to-H transition is still dominated by ZFs...
March 10, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28323359/atomimetic-mechanical-structures-with-nonlinear-topological-domain-evolution-kinetics
#4
Michael J Frazier, Dennis M Kochmann
A mechanical metamaterial, a simple, periodic mechanical structure, is reported, which reproduces the nonlinear dynamic behavior of materials undergoing phase transitions and domain switching at the structural level. Tunable multistability is exploited to produce switching and transition phenomena whose kinetics are governed by the same Allen-Cahn law commonly used to describe material-level, structural-transition processes. The reported purely elastic mechanical system displays several key features commonly found in atomic- or mesoscale physics of solids...
March 21, 2017: Advanced Materials
https://www.readbyqxmd.com/read/28318603/rupture-risk-in-abdominal-aortic-aneurysms-a-realistic-assessment-of-the-explicit-gpu-approach
#5
V Strbac, D M Pierce, B Rodriguez-Vila, J Vander Sloten, N Famaey
Accurate estimation of peak wall stress (PWS) is the crux of biomechanically motivated rupture risk assessment for abdominal aortic aneurysms aimed to improve clinical outcomes. Such assessments often use the finite element (FE) method to obtain PWS, albeit at a high computational cost, motivating simplifications in material or element formulations. These simplifications, while useful, come at a cost of reliability and accuracy. We achieve research-standard accuracy and maintain clinically applicable speeds by using novel computational technologies...
February 27, 2017: Journal of Biomechanics
https://www.readbyqxmd.com/read/28298702/fixed-versus-mixed-rsa-%C3%A2-explaining-visual-representations-by-fixed-and-mixed-feature-sets-from-shallow-and-deep-computational-models
#6
Seyed-Mahdi Khaligh-Razavi, Linda Henriksson, Kendrick Kay, Nikolaus Kriegeskorte
Studies of the primate visual system have begun to test a wide range of complex computational object-vision models. Realistic models have many parameters, which in practice cannot be fitted using the limited amounts of brain-activity data typically available. Task performance optimization (e.g. using backpropagation to train neural networks) provides major constraints for fitting parameters and discovering nonlinear representational features appropriate for the task (e.g. object classification). Model representations can be compared to brain representations in terms of the representational dissimilarities they predict for an image set...
February 2017: Journal of Mathematical Psychology
https://www.readbyqxmd.com/read/28293137/nonlinear-information-fusion-algorithms-for-data-efficient-multi-fidelity-modelling
#7
P Perdikaris, M Raissi, A Damianou, N D Lawrence, G E Karniadakis
Multi-fidelity modelling enables accurate inference of quantities of interest by synergistically combining realizations of low-cost/low-fidelity models with a small set of high-fidelity observations. This is particularly effective when the low- and high-fidelity models exhibit strong correlations, and can lead to significant computational gains over approaches that solely rely on high-fidelity models. However, in many cases of practical interest, low-fidelity models can only be well correlated to their high-fidelity counterparts for a specific range of input parameters, and potentially return wrong trends and erroneous predictions if probed outside of their validity regime...
February 2017: Proceedings. Mathematical, Physical, and Engineering Sciences
https://www.readbyqxmd.com/read/28283354/effect-of-gradient-field-nonlinearity-distortions-in-mri-based-attenuation-maps-for-pet-reconstruction
#8
Josef A Lundman, Adam Johansson, Jörgen Olofsson, Jan Axelsson, Anne Larsson, Tufve Nyholm
PURPOSE: Attenuation correction is a requirement for quantification of the activity distribution in PET. The need to base attenuation correction on MRI instead of CT has arisen with the introduction of integrated PET/MRI systems. The aim was to describe the effect of residual gradient field nonlinearity distortions on PET attenuation correction. METHODS: MRI distortions caused by gradient field nonlinearity were simulated in CT images used for attenuation correction in PET reconstructions...
March 7, 2017: Physica Medica: PM
https://www.readbyqxmd.com/read/28269502/brain-heart-linear-and-nonlinear-dynamics-during-visual-emotional-elicitation-in-healthy-subjects
#9
G Valenza, A Greco, C Gentili, A Lanata, N Toschi, R Barbieri, L Sebastiani, D Menicucci, A Gemignani, E P Scilingo
This study investigates brain-heart dynamics during visual emotional elicitation in healthy subjects through linear and nonlinear coupling measures of EEG spectrogram and instantaneous heart rate estimates. To this extent, affective pictures including different combinations of arousal and valence levels, gathered from the International Affective Picture System, were administered to twenty-two healthy subjects. Time-varying maps of cortical activation were obtained through EEG spectral analysis, whereas the associated instantaneous heartbeat dynamics was estimated using inhomogeneous point-process linear models...
August 2016: Conference Proceedings: Annual International Conference of the IEEE Engineering in Medicine and Biology Society
https://www.readbyqxmd.com/read/28261328/label-free-data-standardization-for-clinical-metabolomics
#10
Petr G Lokhov, Dmitri L Maslov, Oleg N Kharibin, Elena E Balashova, Alexander I Archakov
BACKGROUND: In metabolomics, thousands of substances can be detected in a single assay. This capacity motivates the development of metabolomics testing, which is currently a very promising option for improving laboratory diagnostics. However, the simultaneous measurement of an enormous number of substances leads to metabolomics data often representing concentrations only in conditional units, while laboratory diagnostics generally require actual concentrations. To convert metabolomics data to actual concentrations, calibration curves need to be generated for each substance, and this process represents a significant challenge due to the number of substances that are present in the metabolomics data...
2017: BioData Mining
https://www.readbyqxmd.com/read/28261167/discovery-and-characterization-of-diazenylaryl-sulfonic-acids-as-inhibitors-of-viral-and-bacterial-neuraminidases
#11
Anja Hoffmann, Martina Richter, Susanne von Grafenstein, Elisabeth Walther, Zhongli Xu, Lilia Schumann, Ulrike Grienke, Christina E Mair, Christian Kramer, Judith M Rollinger, Klaus R Liedl, Michaela Schmidtke, Johannes Kirchmair
Viral neuraminidases are an established drug target to combat influenza. Severe complications observed in influenza patients are primarily caused by secondary infections with e.g., Streptococcus pneumoniae. These bacteria engage in a lethal synergism with influenza A viruses (IAVs) and also express neuraminidases. Therefore, inhibitors with dual activity on viral and bacterial neuraminidases are expected to be advantageous for the treatment of influenza infections. Here we report on the discovery and characterization of diazenylaryl sulfonic acids as dual inhibitors of viral and Streptococcus pneumoniae neuraminidase...
2017: Frontiers in Microbiology
https://www.readbyqxmd.com/read/28254608/the-center-for-epidemiologic-studies-depression-ces-d-scale-measures-a-continuum-from-well-being-to-depression-testing-two-key-predictions-of-positive-clinical-psychology
#12
Andy P Siddaway, Alex M Wood, Peter J Taylor
BACKGROUND: Two core but untested predictions of Positive Clinical Psychology (PCP) are that (1) Many psychiatric problems can be understood as one end of bipolar continua with well-being, and (2) that reducing psychiatric symptoms will provide an equal (near linear) decrease in risk for several other psychiatric variables, irrespective of position on continua. AIMS: We test these predictions in relation to a purported well-being/depression continuum, as measured by the Center for Epidemiologic Studies-Depression (CES-D), a popular measure of depressive experiences in research and clinical practice...
February 20, 2017: Journal of Affective Disorders
https://www.readbyqxmd.com/read/28244321/width-based-characterization-of-chromatographic-peaks-beyond-height-and-area
#13
Akinde F Kadjo, Hongzhu Liao, Purnendu K Dasgupta, Karsten G Kraiczek
The preceding paper ( Anal. Chem. 2017 , 10.1021/acs.analchem.6b04857 ) introduced width-based quantitation (WBQ). The present paper focuses on (1) situations where WBQ is effective while height/area-based linear calibrations fail, e.g., when (a) the detector is in a nonlinear response region, (b) the detector/data system is saturated, causing clipping/truncation of the signal, or (c) the detector signal is not a single-valued function of concentration, as when a fluorescence signal goes into the self-quenched domain...
March 14, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28227754/brain-heart-linear-and-nonlinear-dynamics-during-visual-emotional-elicitation-in-healthy-subjects
#14
G Valenza, A Greco, C Gentili, A Lanata, N Toschi, R Barbieri, L Sebastiani, D Menicucci, A Gemignani, E P Scilingo, G Valenza, A Greco, C Gentili, A Lanata, N Toschi, R Barbieri, L Sebastiani, D Menicucci, A Gemignani, E P Scilingo, A Lanata, A Gemignani, E P Scilingo, A Greco, D Menicucci, L Sebastiani, C Gentili, N Toschi, R Barbieri, G Valenza
This study investigates brain-heart dynamics during visual emotional elicitation in healthy subjects through linear and nonlinear coupling measures of EEG spectrogram and instantaneous heart rate estimates. To this extent, affective pictures including different combinations of arousal and valence levels, gathered from the International Affective Picture System, were administered to twenty-two healthy subjects. Time-varying maps of cortical activation were obtained through EEG spectral analysis, whereas the associated instantaneous heartbeat dynamics was estimated using inhomogeneous point-process linear models...
August 2016: Conference Proceedings: Annual International Conference of the IEEE Engineering in Medicine and Biology Society
https://www.readbyqxmd.com/read/28220971/2d-materials-for-optical-modulation-challenges-and-opportunities
#15
REVIEW
Shaoliang Yu, Xiaoqin Wu, Yipei Wang, Xin Guo, Limin Tong
Owing to their atomic layer thickness, strong light-material interaction, high nonlinearity, broadband optical response, fast relaxation, controllable optoelectronic properties, and high compatibility with other photonic structures, 2D materials, including graphene, transition metal dichalcogenides and black phosphorus, have been attracting increasing attention for photonic applications. By tuning the carrier density via electrical or optical means that modifies their physical properties (e.g., Fermi level or nonlinear absorption), optical response of the 2D materials can be instantly changed, making them versatile nanostructures for optical modulation...
February 21, 2017: Advanced Materials
https://www.readbyqxmd.com/read/28220487/sex-differences-and-allee-effects-shape-the-dynamics-of-sex-structured-invasions
#16
Allison K Shaw, Hanna Kokko, Michael G Neubert
The rate at which a population grows and spreads can depend on individual behaviour and interactions with others. In many species with two sexes, males and females differ in key life history traits (e.g. growth, survival, dispersal), which can scale up to affect population rates of growth and spread. In sexually reproducing species, the mechanics of locating mates and reproducing successfully introduce further complications for predicting the invasion speed (spread rate), as both can change nonlinearly with density...
February 20, 2017: Journal of Animal Ecology
https://www.readbyqxmd.com/read/28208403/exactly-solvable-model-for-cluster-size-distribution-in-a-closed-system
#17
V G Dubrovskii
We obtain an exact solution for the cluster-size distributions in a closed system described by nonlinear rate equations for irreversible homogeneous growth with size-linear agglomeration rates of the form K_{s}=D(a+s-1) for all s≥1, where D is the diffusion coefficient, s is the size, and a is a positive constant. The size spectrum is given by the Pólya distribution times a factor that normalizes the first moment of the distribution to unity and zeroes out the monomer concentration at t→∞. We show that the a value sets a maximum mean size that equals e for large a and tends to infinity only when a→0...
January 2017: Physical Review. E
https://www.readbyqxmd.com/read/28198869/heterogeneous-integration-of-lithium-niobate-and-silicon-nitride-waveguides-for-wafer-scale-photonic-integrated-circuits-on-silicon
#18
Lin Chang, Martin H P Pfeiffer, Nicolas Volet, Michael Zervas, Jon D Peters, Costanza L Manganelli, Eric J Stanton, Yifei Li, Tobias J Kippenberg, John E Bowers
An ideal photonic integrated circuit for nonlinear photonic applications requires high optical nonlinearities and low loss. This work demonstrates a heterogeneous platform by bonding lithium niobate (LN) thin films onto a silicon nitride (Si<sub>3</sub>N<sub>4</sub>) waveguide layer on silicon. It not only provides large second- and third-order nonlinear coefficients, but also shows low propagation loss in both the Si<sub>3</sub>N<sub>4</sub> and the LN-Si<sub>3</sub>N<sub>4</sub> waveguides...
February 15, 2017: Optics Letters
https://www.readbyqxmd.com/read/28192482/characterization-of-the-disruption-of-neural-control-strategies-for-dynamic-fingertip-forces-from-attractor-reconstruction
#19
Lorenzo Peppoloni, Emily L Lawrence, Emanuele Ruffaldi, Francisco J Valero-Cuevas
The Strength-Dexterity (SD) test measures the ability of the pulps of the thumb and index finger to compress a compliant and slender spring prone to buckling at low forces (<3N). We know that factors such as aging and neurodegenerative conditions bring deteriorating physiological changes (e.g., at the level of motor cortex, cerebellum, and basal ganglia), which lead to an overall loss of dexterous ability. However, little is known about how these changes reflect upon the dynamics of the underlying biological system...
2017: PloS One
https://www.readbyqxmd.com/read/28166502/the-use-of-model-predictive-control-and-artificial-neural-networks-to-optimize-the-ultrasonic-release-of-a-model-drug-from-liposomes
#20
Hesham G Moussa, Ghaleb A Husseini, Nabil Abdel-Jabbar, Salma E Ahmed
The use of echogenic liposomes to deliver chemotherapeutic agents for cancer treatment has gained wide recognition in the last twenty years. Cancerous cells can develop multiple drug resistance (MDR), in part, due to the drop of concentration of chemotherapeutic agents below the therapeutic levels inside the tumor. This suggests that MDR can be reduced by controlling the level of drug release in the diseased area. In this work, a Model Predictive Controller based on Neural Networks is proposed to maintain a constant chemotherapeutic release at the cancer site...
January 30, 2017: IEEE Transactions on Nanobioscience
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