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Jongho Im, Eunyong Ahn, Namseon Beck, Jae Kwang Kim, Taesung Park
Correlation coefficient estimates are often attenuated for truncated samples in the sense that the estimates are biased towards zero. Motivated by real data collected in South Sudan, we consider correlation coefficient estimation with singly truncated bivariate data. By considering a linear regression model in which a truncated variable is used as an explanatory variable, a consistent estimator for the regression slope can be obtained from the ordinary least squares method. A consistent estimator of the correlation coefficient is then obtained by multiplying the regression slope estimator by the variance ratio of the two variables...
February 27, 2017: Statistics in Medicine
Yanqin Feng, Ran Duan, Jianguo Sun
Nonparametric comparison of survival functions is one of the most commonly required task in failure time studies such as clinical trials, and for this, many procedures have been developed under various situations. This paper considers a situation that often occurs in practice but has not been discussed much: the comparison based on interval-censored data in the presence of unequal censoring. That is, one observes only interval-censored data, and the distributions of or the mechanisms behind censoring variables may depend on treatments and thus be different for the subjects in different treatment groups...
February 27, 2017: Statistics in Medicine
D R Bradney, A Davidson, S P Evans, B E Wueringer, D L Morgan, P D Clausen
Detailed computational fluid dynamics simulations for the rostrum of three species of sawfish (Pristidae) revealed that negligible turbulent flow is generated from all rostra during lateral swipe prey manipulation and swimming. These results suggest that sawfishes are effective stealth hunters that may not be detected by their teleost prey's lateral line sensory system during pursuits. Moreover, during lateral swipes, the rostra were found to induce little velocity into the surrounding fluid. Consistent with previous data of sawfish feeding behaviour, these data indicate that the rostrum is therefore unlikely to be used to stir up the bottom to uncover benthic prey...
February 27, 2017: Journal of Fish Biology
Joe W Tidwell, Michael R Dougherty, Jeffrey S Chrabaszcz, Rick P Thomas
Despite the fact that data and theories in the social, behavioural, and health sciences are often represented on an ordinal scale, there has been relatively little emphasis on modelling ordinal properties. The most common analytic framework used in psychological science is the general linear model, whose variants include ANOVA, MANOVA, and ordinary linear regression. While these methods are designed to provide the best fit to the metric properties of the data, they are not designed to maximally model ordinal properties...
February 27, 2017: British Journal of Mathematical and Statistical Psychology
Anthony R Braun, Michael M Lacy, Vanessa C Ducas, Elizabeth Rhoades, Jonathan N Sachs
α-Synuclein is the primary protein found in Lewy bodies, the protein and lipid aggregates associated with Parkinson's disease and Lewy body dementia. The protein folds into a uniquely long amphipathic α-helix (AH) when bound to a membrane, and at high enough concentrations, it induces large-scale remodeling of membranes (tubulation and vesiculation). By engineering a less hydrophobic variant of α-Synuclein, we previously showed that the energy associated with binding of α-Synuclein's AH correlates with the extent of membrane remodeling (Braun et al...
February 26, 2017: Journal of Membrane Biology
Songrui Wei, Sen Yang, Dong Wang, Xiaoping Song, Xiaoqin Ke, Yipeng Gao, Xiaoqi Liao, Yunzhi Wang
The morphotropic phase boundary (MPB), which is the boundary separating a tetragonal phase from a rhombohedral phase by varying the composition or mechanical pressure in ferroelectrics, has been studied extensively for decades because it can lead to strong enhancement of piezoelectricity. Recently, a parallel ferromagnetic MPB was experimentally reported in the TbCo2-DyCo2 ferromagnetic system and this discovery proposes a new way to develop potential materials with giant magnetostriction. However, the role of magnetic domain switching and spin reorientation near the MPB region is still unclear...
February 27, 2017: Physical Chemistry Chemical Physics: PCCP
Yanhui Zhang, Rongying Dai, Shirong Hu
In recent years, substantial efforts have been devoted to exploring reduced graphene oxide/TiO2 (RGO/TiO2) composite materials; however, there is still a paucity of reports on the construction of reduced graphene oxide/TiO2 with oxygen vacancies (RGO/TiO2-OV) via a facile two-step wet chemistry approach. In this work, we show a proof-of-concept study follow RGO introduced into TiO2 with oxygen vacancies, the role of oxygen vacancies as active sites in reduced graphene oxide-modified TiO2. The photocatalytic performance and related properties of blank-TiO2, blank-TiO2 with oxygen vacancies (blank-TiO2-OV), RGO/TiO2, and RGO/TiO2-OV were comparatively studied...
February 27, 2017: Physical Chemistry Chemical Physics: PCCP
Ingo Fuereder, Patrick Ilg
Supercooled liquids and other soft glassy systems show characteristic spatial inhomogeneities in their local dynamical properties. Using detailed molecular dynamics simulations, we find that for sufficiently low temperatures and sufficiently high shear rates supercooled liquids also show transient inhomogeneous flow patterns (shear banding) in the start-up of steady shear flow, similar to what has already been observed for many other soft glassy systems. We verify that the onset of transient shear banding coincides quite well with the appearance of a stress overshoot for temperatures in the supercooled regime...
February 27, 2017: Soft Matter
Morteza Chehelamirani, Maurício C da Silva, Dennis R Salahub
Electronic properties of carbon nanotubes (CNTs) play an important role in their interactions with nano-structured materials. In this work, interactions of adenosine monophosphate (AMP), a DNA nucleotide, with metallic and semi-conducting CNTs are studied using the density functional tight binding (DFTB) method. The electronic structure of semi-conducting CNTs was found to be changed as they turned to metallic CNTs in a vacuum upon interaction with the nucleotide while metallic CNTs remain metallic. Specifically, the band gap of semi-conducting CNTs was decreased by 0...
February 27, 2017: Physical Chemistry Chemical Physics: PCCP
Rafael Escribano, Emilio Artacho, Akira Kouchi, Tetusya Hama, Yuki Kimura, Hiroshi Hidaka, Naoki Watanabe
Models for the inclusion of water molecules in carbon monoxide matrices are developed using density functional theory applied to amorphous solid systems. The models cover a large range of systems for smaller or larger CO matrices with different water content, consisting of either individual H2O molecules or small clusters linked by H-bonds. The vibrational spectra of the samples are predicted at the minimum of their potential energy surface. The spectra allow instances where the water molecules remain isolated or form aggregates to be discerned, and they also provide an indication of the strength of the H-bonding, when present...
February 27, 2017: Physical Chemistry Chemical Physics: PCCP
Jun Wang, Baswanth Oruganti, Bo Durbeej
A fundamental requirement for achieving photoinduced unidirectional rotary motion about an olefinic bond in a molecular motor is that the potential energy surface of the excited state is asymmetric with respect to clockwise and counterclockwise rotations. In most available light-driven rotary molecular motors, such asymmetry is guaranteed by the presence of a stereocenter. Here, we present non-adiabatic molecular dynamics simulations based on multiconfigurational quantum chemistry to demonstrate that this chiral feature is not essential for inducing unidirectional rotary motion in molecules that incorporate a cyclohexenylidene moiety into a protonated Schiff-base framework...
February 27, 2017: Physical Chemistry Chemical Physics: PCCP
Christian Kramer, Martin Schäferling, Thomas Weiss, Harald Giessen, Tobias Brixner
We present an analytic derivation for the enhancement of local optical chirality in the near field of plasmonic nanostructures by tuning the far-field polarization of external light. We illustrate the results by means of simulations with an achiral and a chiral nanostructure assembly and demonstrate that local optical chirality is significantly enhanced with respect to circular polarization in free space. The optimal external far-field polarizations are different from both circular and linear. Symmetry properties of the nanostructure can be exploited to determine whether the optimal far-field polarization is circular...
February 15, 2017: ACS Photonics
Diego M Solís, José M Taboada, Fernando Obelleiro, Luis M Liz-Marzán, F Javier García de Abajo
Surface-enhanced Raman scattering (SERS) has become a widely used spectroscopic technique for chemical identification, providing unbeaten sensitivity down to the single-molecule level. The amplification of the optical near field produced by collective electron excitations -plasmons- in nanostructured metal surfaces gives rise to a dramatic increase by many orders of magnitude in the Raman scattering intensities from neighboring molecules. This effect strongly depends on the detailed geometry and composition of the plasmon-supporting metallic structures...
February 15, 2017: ACS Photonics
Timothy M Shepherd, Ivan I Kirov, Erik Charlson, Mary Bruno, James Babb, Daniel K Sodickson, Noam Ben-Eliezer
INTRODUCTION: Quantitative T2 mapping may provide an objective biomarker for occult nervous tissue pathology in relapsing-remitting multiple sclerosis (RRMS). We applied a novel echo modulation curve (EMC) algorithm to identify T2 changes in normal-appearing brain regions of subjects with RRMS (N = 27) compared to age-matched controls (N = 38). METHODS: The EMC algorithm uses Bloch simulations to model T2 decay curves in multi-spin-echo MRI sequences, independent of scanner, and scan-settings...
2017: NeuroImage: Clinical
Siavash Rezazadeh, Robert D Gregg
Although dynamic walking methods have had notable successes in control of bipedal robots in the recent years, still most of the humanoid robots rely on quasi-static Zero Moment Point controllers. This work is an attempt to design a highly stable controller for dynamic walking of a human-like model which can be used both for control of humanoid robots and prosthetic legs. The method is based on using time-based trajectories that can induce a highly stable limit cycle to the bipedal robot. The time-based nature of the controller motivates its use to entrain a model of an amputee walking, which can potentially lead to a better coordination of the interaction between the prosthesis and the human...
October 2016: Proceedings of the ASME Dynamic Systems and Control Conference
Matthew Carter Childers, Valerie Daggett
A grand challenge in the field of structural biology is to design and engineer proteins that exhibit targeted functions. Although much success on this front has been achieved, design success rates remain low, an ever-present reminder of our limited understanding of the relationship between amino acid sequences and the structures they adopt. In addition to experimental techniques and rational design strategies, computational methods have been employed to aid in the design and engineering of proteins. Molecular dynamics (MD) is one such method that simulates the motions of proteins according to classical dynamics...
February 1, 2017: Molecular Systems Design & Engineering
Miguel Marino, Orfeu M Buxton, Yi Li
Missing covariate data hampers variable selection in multilevel regression settings. Current variable selection techniques for multiply-imputed data commonly address missingness in the predictors through list-wise deletion and stepwise-selection methods which are problematic. Moreover, most variable selection methods are developed for independent linear regression models and do not accommodate multilevel mixed effects regression models with incomplete covariate data. We develop a novel methodology that is able to perform covariate selection across multiply-imputed data for multilevel random effects models when missing data is present...
2017: Stat: the ISI's Journal for Rapid Dissemination of Statistics Research
M Soner Yorgun, Richard B Rood
An object-based evaluation method using a pattern recognition algorithm (i.e., classification trees) is applied to the simulated orographic precipitation for idealized experimental setups using the National Center of Atmospheric Research (NCAR) Community Atmosphere Model (CAM) with the finite volume (FV) and the Eulerian spectral transform dynamical cores with varying resolutions. Daily simulations were analyzed and three different types of precipitation features were identified by the classification tree algorithm...
December 2016: Journal of Advances in Modeling Earth Systems
Erin L Landguth, Zachary A Holden, Mary F Mahalovich, Samuel A Cushman
Recent population declines to the high elevation western North America foundation species whitebark pine, have been driven by the synergistic effects of the invasive blister rust pathogen, mountain pine beetle (MPB), fire exclusion, and climate change. This has led to consideration for listing whitebark pine (WBP) as a threatened or endangered species under the Endangered Species Act, which has intensified interest in developing management strategies for maintaining and restoring the species. An important, but poorly studied, aspect of WBP restoration is the spatial variation in adaptive genetic variation and the potential of blister rust resistant strains to maintain viable populations in the future...
2017: Frontiers in Genetics
Alice J Sweeting, François Billaut, Matthew C Varley, Ramón F Rodriguez, William G Hopkins, Robert J Aughey
Purpose: To quantify the effect of acute hypoxia on muscle oxygenation and power during simulated team-sport running. Methods: Seven individuals performed repeated and single sprint efforts, embedded in a simulated team-sport running protocol, on a non-motorized treadmill in normoxia (sea-level), and acute normobaric hypoxia (simulated altitudes of 2,000 and 3,000 m). Mean and peak power was quantified during all sprints and repeated sprints. Mean total work, heart rate, blood oxygen saturation, and quadriceps muscle deoxyhaemoglobin concentration (assessed via near-infrared spectroscopy) were measured over the entire protocol...
2017: Frontiers in Physiology
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