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https://www.readbyqxmd.com/read/28110185/computational-analysis-of-amsacrine-resistance-in-human-topoisomerase-ii-alpha-mutants-r487k-and-e571k-using-homology-modeling-docking-and-all-atom-molecular-dynamics-simulation-in-explicit-solvent
#1
Safaa Sader, Chun Wu
Amsacrine is an effective topoisomerase II enzyme inhibitor in acute lymphatic leukemia. Previous experimental studies have successfully identified two important mutations (R487K and E571K) conferring 100 and 25 fold resistance to Amsacrine respectively. Although the reduction of the cleavage ligand-DNA-protein ternary complex has been well thought as the major cause of drug resistance, the detailed energetic, structural and dynamic mechanisms remain to be elusive. In this study, we constructed human topoisomerase II alpha (hTop2α) homology model docked with Amsacrine based on crystal structure of human Top2β in complex with etoposide...
January 4, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28110152/is-the-bias-for-function-based-explanations-culturally-universal-children-from-china-endorse-teleological-explanations-of-natural-phenomena
#2
Adena Schachner, Liqi Zhu, Jing Li, Deborah Kelemen
Young children in Western cultures tend to endorse teleological (function-based) explanations broadly across many domains, even when scientifically unwarranted. For instance, in contrast to Western adults, they explicitly endorse the idea that mountains were created for climbing, just like hats were created for warmth. Is this bias a product of culture or a product of universal aspects of human cognition? In two studies, we explored whether adults and children in Mainland China, a highly secular, non-Western culture, show a bias for teleological explanations...
January 19, 2017: Journal of Experimental Child Psychology
https://www.readbyqxmd.com/read/28109499/what-might-parents-read-sorting-webs-of-online-information-on-vascular-anomalies
#3
Kara S Davis, Andrew A McCormick, Noel Jabbour
INTRODUCTION: The internet is increasingly a source of healthcare information utilized by parents, especially in rarer pathologies such as vascular malformations. The quality, validity and thoroughness of these websites is variable and unregulated. The goal of this study was to evaluate the quality and understandability of websites related to vascular malformations. METHODS: The terms "hemangioma", "vascular malformation", and "vascular anomalies" were searched in Google...
February 2017: International Journal of Pediatric Otorhinolaryngology
https://www.readbyqxmd.com/read/28109418/rebates-to-incentivize-healthy-nutrition-choices-in-the-supplemental-nutrition-assistance-program
#4
EDITORIAL
Lauren E W Olsho, Jacob A Klerman, Susan H Bartlett, Christopher W Logan
Price incentives, or rebates, have been proposed as one promising strategy for improving diet quality among Supplemental Nutrition Assistance Program participants. This paper explores the existing evidence on effectiveness of rebates in this program. In particular, this paper considers findings from a recent RCT of Supplemental Nutrition Assistance Program rebates, the U.S. Department of Agriculture Healthy Incentives Pilot, in the context of the broader literature on rebate strategies. The paper concludes that rebates have a moderate impact on food intake, at moderate cost relative to alternative interventions...
February 2017: American Journal of Preventive Medicine
https://www.readbyqxmd.com/read/28109335/inequitable-gender-norms-from-early-adolescence-to-young-adulthood-in-uganda-tool-validation-and-differences-across-age%C3%A2-groups
#5
Lung Vu, Julie Pulerwitz, Brady Burnett-Zieman, Cecily Banura, Jerry Okal, Eileen Yam
PURPOSE: We aimed to describe and compare gender norms among 10- to 14-year-olds versus 15- to 24-year-olds and to conduct a rigorous evaluation of the GEM Scale's performance among these two age groups. METHODS: We conducted a two-stage cluster-sampled survey among 387 females and 583 males, aged 10-24 years, in rural and urban communities near Kampala, Uganda. We applied, assessed, and adapted the GEM Scale (Pulerwitz and Barker, 2008), which measures views toward gender norms in four domains...
February 2017: Journal of Adolescent Health: Official Publication of the Society for Adolescent Medicine
https://www.readbyqxmd.com/read/28109212/two-structure-thermodynamics-for-the-tip4p-2005-model-of-water-covering-supercooled-and-deeply-stretched-regions
#6
John W Biddle, Rakesh S Singh, Evan M Sparano, Francesco Ricci, Miguel A González, Chantal Valeriani, José L F Abascal, Pablo G Debenedetti, Mikhail A Anisimov, Frédéric Caupin
One of the most promising frameworks for understanding the anomalies of cold and supercooled water postulates the existence of two competing, interconvertible local structures. If the non-ideality in the Gibbs energy of mixing overcomes the ideal entropy of mixing of these two structures, a liquid-liquid phase transition, terminated at a liquid-liquid critical point, is predicted. Various versions of the "two-structure equation of state" (TSEOS) based on this concept have shown remarkable agreement with both experimental data for metastable, deeply supercooled water and simulations of molecular water models...
January 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28108571/dynamical-theory-of-shear-bands-in-structural-glasses
#7
Apiwat Wisitsorasak, Peter G Wolynes
The heterogeneous elastoplastic deformation of structural glasses is explored using the framework of the random first-order transition theory of the glass transition along with an extended mode-coupling theory that includes activated events. The theory involves coupling the continuum elastic theory of strain transport with mobility generation and transport as described in the theory of glass aging and rejuvenation. Fluctuations that arise from the generation and transport of mobility, fictive temperature, and stress are treated explicitly...
January 20, 2017: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/28108528/triangulation-in-aetiological-epidemiology
#8
Debbie A Lawlor, Kate Tilling, George Davey Smith
Triangulation is the practice of obtaining more reliable answers to research questions through integrating results from several different approaches, where each approach has different key sources of potential bias that are unrelated to each other. With respect to causal questions in aetiological epidemiology, if the results of different approaches all point to the same conclusion, this strengthens confidence in the finding. This is particularly the case when the key sources of bias of some of the approaches would predict that findings would point in opposite directions if they were due to such biases...
January 20, 2017: International Journal of Epidemiology
https://www.readbyqxmd.com/read/28108306/bone-remodeling-as-a-spatial-evolutionary-game
#9
Marc D Ryser, Kevin A Murgas
Bone remodeling is a complex process involving cell-cell interactions, biochemical signaling and mechanical stimuli. Early models of the biological aspects of remodeling were non-spatial and focused on the local dynamics at a fixed location in the bone. Several spatial extensions of these models have been proposed, but they generally suffer from two limitations: first, they are not amenable to analysis and are computationally expensive, and second, they neglect the role played by bone-embedded osteocytes. To address these issues, we developed a novel model of spatial remodeling based on the principles of evolutionary game theory...
January 17, 2017: Journal of Theoretical Biology
https://www.readbyqxmd.com/read/28108198/ted-a-tolerant-edit-distance-for-segmentation-evaluation
#10
Jan Funke, Jonas Klein, Francesc Moreno-Noguer, Albert Cardona, Matthew Cook
In this paper, we present a novel error measure to compare a computer-generated segmentation of images or volumes against ground truth. This measure, which we call Tolerant Edit Distance (TED), is motivated by two observations that we usually encounter in biomedical image processing: (1) Some errors, like small boundary shifts, are tolerable in practice. Which errors are tolerable is application dependent and should be explicitly expressible in the measure. (2) Non-tolerable errors have to be corrected manually...
January 17, 2017: Methods: a Companion to Methods in Enzymology
https://www.readbyqxmd.com/read/28107727/neural-correlates-of-subliminally-presented-visual-sexual-stimuli
#11
Martina Wernicke, Corinna Hofter, Kirsten Jordan, Peter Fromberger, Peter Dechent, Jürgen L Müller
In the context of forensic psychiatry, it is crucial that diagnoses of deviant sexual interests are resistant to manipulation. In a first attempt to promote the development of such tools, the current fMRI study focusses on the examination of hemodynamic responses to preferred, in contrast to non-preferred, sexual stimuli with and without explicit sexual features in 24 healthy heterosexual subjects. The subliminal stimulus presentation of sexual stimuli could be a new approach to reduce vulnerability to manipulation...
January 17, 2017: Consciousness and Cognition
https://www.readbyqxmd.com/read/28107424/anchoring-the-self-to-the-body-in-bilateral-vestibular-failure
#12
Diane Deroualle, Michel Toupet, Christian van Nechel, Ulla Duquesne, Charlotte Hautefort, Christophe Lopez
Recent findings suggest that vestibular information plays a significant role in anchoring the self to the body. Out-of-body experiences of neurological origin are frequently associated with vestibular sensations, and galvanic vestibular stimulation in healthy participants anchors the self to the body. Here, we provide the first objective measures of anchoring the self to the body in chronic bilateral vestibular failure (BVF). We compared 23 patients with idiopathic BVF to 23 healthy participants in a series of experiments addressing several aspects of visuo-spatial perspective taking and embodiment...
2017: PloS One
https://www.readbyqxmd.com/read/28107107/title-tobacco-alcohol-and-drug-use-of-people-with-mood-and-anxiety-disorders-differential-impact-of-family-and-friends
#13
Eunji Nam, Sadaaki Fukui
OBJECTIVE: Substance use among people with mood and anxiety disorders is highly prevalent. The literature suggests that substance use among people with mood and anxiety disorders is linked to social relational factors, yet it has been rarely the case that studies explicitly examine the differential impact of family and friends. This study investigated the association between family relationships, friendships, and substance use among people with mood and anxiety disorders. METHODS: Using the National Survey of American Life, structural equation modeling tested the unique effects of family relationships and friendships on tobacco, alcohol, and drug use (n = 1,076)...
January 20, 2017: Journal of Dual Diagnosis
https://www.readbyqxmd.com/read/28107010/phase-equilibria-of-water-co2-and-water-n-alkane-mixtures-from-polarizable-models
#14
Hao Jiang, Ioannis George Economou, Athanassios Z Panagiotopoulos
Phase equilibria of water/CO2 and water/n-alkane mixtures over a range of temperatures and pressures were obtained from Monte Carlo simulations in the Gibbs ensemble. Three sets of Drude-type polarizable models for water, namely the BK3, GCP, and HBP models, were combined with a polarizable Gaussian charge CO2 (PGC) model to represent the water/CO2 mixture. The HBP water model describes hydrogen bonds between water and CO2 explicitly. All models underestimate CO2 solubility in water if standard combining rules are used for the dispersion interactions between water and CO2 ...
January 20, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28105716/what-does-variation-in-primate-behavior-mean
#15
Karen B Strier
Interest in intraspecific behavioral variation has grown with concerns about the ability of primates to adapt to the rapidly changing ecological and demographic conditions that threaten their survival. Now, in addition to identifying the causes and phylogenetic distribution of normative, species-specific behavior patterns for interspecific comparisons, there is widespread recognition of the need to incorporate intraspecific variation. This variation is evident across groups and populations of the same species as well over the long histories of single groups of long-lived, socially complex animals with overlapping generations...
January 2017: American Journal of Physical Anthropology
https://www.readbyqxmd.com/read/28105655/imperfect-de-convolution-may-introduce-spurious-psychophysiological-interactions-and-how-to-avoid-it
#16
Xin Di, Richard C Reynolds, Bharat B Biswal
Psychophysiological interaction (PPI) is a widely used regression-based method to study connectivity changes in different experimental conditions. A PPI effect is generated by point-by-point multiplication of a psychological variable (experimental design) and a physiological variable (time series of a seed region). If the psychological variable is non-centered with a constant component, the constant component will add a physiological variable to the PPI term. The physiological component would in theory be accounted for by the physiological main effect in the model...
January 20, 2017: Human Brain Mapping
https://www.readbyqxmd.com/read/28105501/-diagnostics-and-multimodal-treatment-of-depression-in-old-age-new-developments
#17
Gerhard W Eschweiler
Depressive disorders in elderly persons are frequent and can either first be manifested at a younger age and show a recurrent pattern during later life (ICD 10, F33.*) or have an onset beyond 60 years, which is termed late onset depression (LOD). This LOD has a higher tendency to chronification and implies an increased risk of progression, especially to vascular dementia. The multifactorial genesis of depression in old age includes psychosocial, vascular and metabolic factors and requires multimodal therapy modules at the biological and psychosocial level, which is now increasingly being empirically proven...
January 19, 2017: Zeitschrift Für Gerontologie und Geriatrie
https://www.readbyqxmd.com/read/28104629/historian-accurate-reconstruction-of-ancestral-sequences-and-evolutionary-rates
#18
Ian H Holmes
MOTIVATION: Reconstruction of ancestral sequence histories, and estimation of parameters like indel rates, are improved by using explicit evolutionary models and summing over uncertain alignments. The previous best tool for this purpose (according to simulation benchmarks) was ProtPal, but this tool was too slow for practical use. RESULTS: Historian combines an efficient reimplementation of the ProtPal algorithm with performance-improving heuristics from other alignment tools...
January 18, 2017: Bioinformatics
https://www.readbyqxmd.com/read/28104512/time-series-models-of-environmental-exposures-good-predictions-or-good-understanding
#19
Adrian G Barnett, Dimity Stephen, Cunrui Huang, Martin Wolkewitz
Time series data are popular in environmental epidemiology as they make use of the natural experiment of how changes in exposure over time might impact on disease. Many published time series papers have used parameter-heavy models that fully explained the second order patterns in disease to give residuals that have no short-term autocorrelation or seasonality. This is often achieved by including predictors of past disease counts (autoregression) or seasonal splines with many degrees of freedom. These approaches give great residuals, but add little to our understanding of cause and effect...
January 16, 2017: Environmental Research
https://www.readbyqxmd.com/read/28104236/local-equilibrium-theory-analysis-of-chromatographic-peak-shapes-in-the-presence-of-adsorbing-modifiers
#20
Arvind Rajendran
The nature and shapes of solute and modifier peaks for a situation when the modifier and solute adsorb competitively through the Langmuir isotherm is studied using the local-equilibrium theory. The analysis yields 10 different cases depending on the relative adsorption strengths and the concentrations of the modifier and the solute. The origin of positive and negative Langmuirian/anti-Langmuirian-type peaks, even when the adsorption isotherms are strictly Langmuirian, and explicit conditions under which each combination is observed are derived...
January 5, 2017: Journal of Chromatography. A
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