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Carlos Contreras, Minaya Villasana, Michael J Hendzel, Gustavo Carrero
Histones H1 or linker histones are highly dynamic proteins that diffuse throughout the cell nucleus and associate with chromatin (DNA and associated proteins). This binding interaction of histone H1 with the chromatin is thought to regulate chromatin organization and DNA accessibility to transcription factors and has been proven to involve a kinetic process characterized by a population that associates weakly with chromatin and rapidly dissociates and another population that resides at a binding site for up to several minutes before dissociating...
2018: PloS One
Xiangdong Tian, Dejun Zhou, Lu Chen, Yao Tian, Benfu Zhong, Yanna Cao, Qiuping Dong, Meng Zhou, Jie Yan, Yalei Wang, Yanli Qiu, Lianmin Zhang, Zhongyuan Li, Huijuan Wang, Daowei Wang, Guoguang Ying, Qiang Zhao
Neuroblastoma (NB) is the most common malignant tumor in infancy and most common extracranial solid tumor in childhood. With the improvement of diagnosis and treatment, the survival rate of patients with low-risk and intermediate-risk NB can reach up to 90%. In contrast, for high-risk NBs, the long-term survival rate is still <40% because of heterogeneity of this tumor. The pathogenesis of NB is still not explicit, therefore it is of great significance to explore the mechanism of NB tumorigenesis and discover new therapeutic targets for NB...
January 19, 2018: Cell Death & Disease
Khader Shameer, Kipp W Johnson, Benjamin S Glicksberg, Joel T Dudley, Partho P Sengupta
Artificial intelligence (AI) broadly refers to analytical algorithms that iteratively learn from data, allowing computers to find hidden insights without being explicitly programmed where to look. These include a family of operations encompassing several terms like machine learning, cognitive learning, deep learning and reinforcement learning-based methods that can be used to integrate and interpret complex biomedical and healthcare data in scenarios where traditional statistical methods may not be able to perform...
January 19, 2018: Heart: Official Journal of the British Cardiac Society
Nicholas Midzi, Blessing Kavhu, Portia Manangazira, Isaac Phiri, Susan L Mutambu, Cremants Tshuma, Moses J Chimbari, Shungu Munyati, Stanely M Midzi, Lincon Charimari, Anatoria Ncube, Masceline J Mutsaka-Makuvaza, White Soko, Emmanuel Madzima, Gibson Hlerema, Joel Mbedzi, Gibson Mhlanga, Mhosisi Masocha
BACKGROUND: Reliable mapping of soil-transmitted helminth (STH) parasites requires rigorous statistical and machine learning algorithms capable of integrating the combined influence of several determinants to predict distributions. This study tested whether combining edaphic predictors with relevant environmental predictors improves model performance when predicting the distribution of STH, Ascaris lumbricoides and hookworms at a national scale in Zimbabwe. METHODS: Geo-referenced parasitological data obtained from a 2010/2011 national survey indicating a confirmed presence or absence of STH among school children aged 10-15 years was used to calibrate ten species distribution models (SDMs)...
January 19, 2018: Parasites & Vectors
Nelson Alves, Rafael B Frigori
Structural properties of Aβ(16-35) fragment are investigated as a model for the amyloid-β peptide excluding its coil-inducing terminals. Our Replica-Exchange Molecular Dynamics simulations using all-atoms and explicit aqueous solvation widely reduce any structural bias. The principal folding pathway shows direct conversion of coil to β-sheet, without the long proposed helix intermediates. Our PCA analysis indicates that the fragment is also intrinsically disordered, as the full amyloid-β peptide. Thus, the observed folding mechanism lacks free-energy barriers and any peaks in the thermal capacity...
January 19, 2018: Journal of Physical Chemistry. B
Daniel J Rozell
In the field of risk analysis, the normative value systems underlying accepted methodology are rarely explicitly discussed. This perspective provides a critique of the various ethical frameworks that can be used in risk assessments and risk management decisions. The goal is to acknowledge philosophical weaknesses that should be considered and communicated in order to improve the public acceptance of the work of risk analysts.
January 19, 2018: Risk Analysis: An Official Publication of the Society for Risk Analysis
Tom Everaert, Adriaan Spruyt, Jan De Houwer
We introduce an adaptation of the affect misattribution procedure (AMP), called the implicit preference scale (IMPRES). Participants who complete the IMPRES indicate their preference for one of two, simultaneously presented Chinese ideographs. Each ideograph is preceded by a briefly presented prime stimulus that is irrelevant to the task. Participants are hypothesized to prefer the ideograph that is preceded by the prime they prefer. In the present research, the IMPRES was designed to capture racial attitudes (preferences for white versus black faces) and age-related attitudes (preferences for young versus old faces)...
2018: PloS One
Arghya Chakravorty, Zhe Jia, Lin Li, Shan Zhao, Emil Alexov
Typically, the ensemble average polar component of solvation energy (∆G_polar^solv) of a macromolecule is computed using molecular dynamics (MD) or Monte Carlo (MC) simulations to generate conformational ensemble and then single/rigid conformation solvation energy calculation is performed on each of snapshots. The primary objective of this work is to demonstrate that Poisson-Boltzmann (PB) based approach using a Gaussian-based smooth dielectric function for macromolecular modeling previously developed by us (Li et al...
January 19, 2018: Journal of Chemical Theory and Computation
Nicole F Angeli, Ian F Lundgren, Clayton G Pollock, Zandy M Hillis-Starr, Lee A Fitzgerald
Population size is widely used as a unit of ecological analysis, yet to estimate population size requires accounting for observed and latent heterogeneity influencing dispersion of individuals across landscapes. In newly established populations, such as when animals are translocated for conservation, dispersal and availability of resources influence patterns of abundance. We developed a process to estimate population size using N-mixture models and spatial models for newly established and dispersing populations...
January 19, 2018: Ecological Applications: a Publication of the Ecological Society of America
Nashwa Masnoon, Sepehr Shakib, Lisa Kalisch-Ellett, Gillian E Caughey
BACKGROUND: There are tools and criteria in the literature aimed at distinguishing between appropriate and inappropriate medicines use. However, many have not been externally validated with regard to patient-related outcomes, potentially limiting their use in clinical practice. OBJECTIVES: The aim of the study was to conduct a systematic review to summarise (1) available prescribing appropriateness assessment tools and criteria, and (2) their associations with patient-related outcomes (external validity)...
January 19, 2018: Drugs & Aging
Daisuke Kawahara, Shuichi Ozawa, Akito Saito, Tomoki Kimura, Tatsuhiko Suzuki, Masato Tsuneda, Sodai Tanaka, Kazunari Hioki, Takeo Nakashima, Yoshimi Ohno, Yuji Murakami, Yasushi Nagata
Aim: Lipiodol was used for stereotactic body radiotherapy combining trans arterial chemoembolization. Lipiodol used for tumour seeking in trans arterial chemoembolization remains in stereotactic body radiation therapy. In our previous study, we reported the dose enhancement effect in Lipiodol with 10× flattening-filter-free (FFF). The objective of our study was to evaluate the dose enhancement and energy spectrum of photons and electrons due to the Lipiodol depth with flattened (FF) and FFF beams...
January 2018: Reports of Practical Oncology and Radiotherapy
Alexey A Melnikov, Hendrik Poulsen Nautrup, Mario Krenn, Vedran Dunjko, Markus Tiersch, Anton Zeilinger, Hans J Briegel
How useful can machine learning be in a quantum laboratory? Here we raise the question of the potential of intelligent machines in the context of scientific research. A major motivation for the present work is the unknown reachability of various entanglement classes in quantum experiments. We investigate this question by using the projective simulation model, a physics-oriented approach to artificial intelligence. In our approach, the projective simulation system is challenged to design complex photonic quantum experiments that produce high-dimensional entangled multiphoton states, which are of high interest in modern quantum experiments...
January 18, 2018: Proceedings of the National Academy of Sciences of the United States of America
Stan B Floresco, David R Montes, Maric M T Tse, Mieke van Holstein
The nucleus accumbens (NAc) is a key node within cortico-limbic circuitry for guiding action selection and cost/benefit decision making in situations involving reward uncertainty. Preclinical studies have typically assessed risk/reward decision making using assays where decisions are guided by internally-generated representations of choice-outcome contingencies. Yet, real-life decisions are often influenced by external stimuli that inform about likelihoods of obtaining rewards. How different subregions of the NAc mediate decision making in such situations is unclear...
January 18, 2018: Journal of Neuroscience: the Official Journal of the Society for Neuroscience
Tanya R Berry, Kelvin E Jones, Kerry S Courneya, Kerry R McGannon, Colleen M Norris, Wendy M Rodgers, John C Spence
BACKGROUND: The purpose of this research was to examine the relationships of self-reported physical activity to involvement with messages that discuss the prevention of heart disease and breast cancer through physical activity, the explicit believability of the messages, and agreement (or disagreement) with specific statements about the messages or disease beliefs in general. METHODS: A within subjects' design was used. Participants (N = 96) read either a breast cancer or heart disease message first, then completed a corresponding task that measured agreement or disagreement and confidence in the agreement or disagreement that 1) physical activity 'reduces risk/does not reduce risk' of breast cancer or heart disease, 2) that breast cancer or heart disease is a 'real/not real risk for me', 3) that women who get breast cancer or heart disease are 'like/not like me', and 4) that women who get breast cancer or heart disease are 'to blame/not to blame'...
January 18, 2018: BMC Psychology
Lu Wang, Hai Xiao, Tao Cheng, Youyong Li, William A Goddard
We report here the reaction mechanism for explicit aqueous solvent quantum mechanics (QM) studies determining the energetics and reaction barriers for the photocata-lytic hydrogen evolution reaction (HER) on CH3NH3PbI3 surface. We find that both the lead (Pb) atoms and the surface organic molecules play essential roles, leading to a two-step Pb-activated amine-assisted (PbAAA) reaction mechanism involving an inter-mediate lead hydride state. Both H of H2 product are extracted from surface organic molecules, while two protons from the solution migrate along water chains via the Grotthuss mechanism to replace the H in organic molecule...
January 19, 2018: Journal of the American Chemical Society
Alexandre Rosas, Christian Van den Broeck, Katja Lindenberg
We present the stochastic thermodynamic analysis of a time-periodic single-particle pump, including explicit results for flux, thermodynamic force, entropy production, work, heat, and efficiency. These results are valid far from equilibrium. The deviations from the linear (Onsager) regime are discussed.
November 2017: Physical Review. E
Markus Wallerberger, Emanuel Gull
The steadily increasing size of scientific Monte Carlo simulations and the desire for robust, correct, and reproducible results necessitates rigorous testing procedures for scientific simulations in order to detect numerical problems and programming bugs. However, the testing paradigms developed for deterministic algorithms have proven to be ill suited for stochastic algorithms. In this paper we demonstrate explicitly how the technique of statistical hypothesis testing, which is in wide use in other fields of science, can be used to devise automatic and reliable tests for Monte Carlo methods, and we show that these tests are able to detect some of the common problems encountered in stochastic scientific simulations...
November 2017: Physical Review. E
Francisco Vega Reyes, Antonio Lasanta, Andrés Santos, Vicente Garzó
The dynamical properties of a tracer or impurity particle immersed in a host gas of inelastic and rough hard spheres in the homogeneous cooling state is studied. Specifically, the breakdown of energy equipartition as characterized by the tracer/host ratios of translational and rotational temperatures is analyzed by exploring a wide spectrum of values of the control parameters of the system (masses, moments of inertia, sizes, and coefficients of restitution). Three complementary approaches are considered. On the theoretical side, the Boltzmann and Boltzmann-Lorentz equations (both assuming the molecular chaos ansatz) are solved by means of a multitemperature Maxwellian approximation for the velocity distribution functions...
November 2017: Physical Review. E
Jiaozi Wang, Wen-Ge Wang
In most realistic models for quantum chaotic systems, the Hamiltonian matrices in unperturbed bases have a sparse structure. We study correlations in eigenfunctions of such systems and derive explicit expressions for some of the correlation functions with respect to energy. The analytical results are tested in several models by numerical simulations. Some applications are discussed for a relation between transition probabilities and for expectation values of some local observables.
November 2017: Physical Review. E
X Xu, K Burgin, M A Ellis, I Halliday
We present a challenging validation of phase field multicomponent lattice Boltzmann equation (MCLBE) simulation against the Re=0 Stokes flow regime Taylor-Einstein theory of dilute suspension viscosity. By applying a number of recent advances in the understanding and the elimination of the interfacial microcurrent artefact, extending to a three-dimensional class of stability-enhancing multiple relaxation time collision models (which require no explicit collision matrix, note) and developing new interfacial interpolation schemes, we are able to obtain data that show that MCLBE may be applied in new flow regimes...
November 2017: Physical Review. E
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