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https://www.readbyqxmd.com/read/28531219/pyldm-an-open-source-package-for-lifetime-density-analysis-of-time-resolved-spectroscopic-data
#1
Gabriel F Dorlhiac, Clyde Fare, Jasper J van Thor
Ultrafast spectroscopy offers temporal resolution for probing processes in the femto- and picosecond regimes. This has allowed for investigation of energy and charge transfer in numerous photoactive compounds and complexes. However, analysis of the resultant data can be complicated, particularly in more complex biological systems, such as photosystems. Historically, the dual approach of global analysis and target modelling has been used to elucidate kinetic descriptions of the system, and the identity of transient species respectively...
May 22, 2017: PLoS Computational Biology
https://www.readbyqxmd.com/read/28530750/first-principles-study-of-the-structural-stability-and-electrochemical-properties-of-na2msio4-m-mn-fe-co-and-ni-polymorphs
#2
F Bianchini, H Fjellvåg, P Vajeeston
Sodium orthosilicates Na2MSiO4 (M = Mn, Fe, Co and Ni) have attracted much attention due to the possibility of exchanging two electrons per formula unit. They are also found to exhibit great structural stability due to a diamond-like arrangement of tetrahedral groups. In this work, we have systematically studied the possible polymorphism of these compounds by means of density functional theory, optimising the structure of a number of systems with different group symmetries. The ground state is found to be Pc-symmetric for all the considered M = Mn, Fe, Co, Ni, and several similar structures exhibiting different symmetries coexist within a 0...
May 22, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28530438/adolescent-perceived-parent-and-teacher-overestimation-of-mathematics-ability-developmental-implications-for-students-mathematics-task-values
#3
Burkhard Gniewosz, Helen M G Watt
This study examines whether and how student-perceived parents' and teachers' overestimation of students' own perceived mathematical ability can explain trajectories for adolescents' mathematical task values (intrinsic and utility) controlling for measured achievement, following expectancy-value and self-determination theories. Longitudinal data come from a 3-cohort (mean ages 13.25, 12.36, and 14.41 years; Grades 7-10), 4-wave data set of 1,271 Australian secondary school students. Longitudinal structural equation models revealed positive effects of student-perceived overestimation of math ability by parents and teachers on students' intrinsic and utility math task values development...
May 22, 2017: Developmental Psychology
https://www.readbyqxmd.com/read/28527431/osmotic-and-diffusio-osmotic-flow-generation-at-high-solute-concentration-ii-molecular-dynamics-simulations
#4
Hiroaki Yoshida, Sophie Marbach, Lydéric Bocquet
In this paper, we explore osmotic transport by means of molecular dynamics (MD) simulations. We first consider osmosis through a membrane and investigate the reflection coefficient of an imperfectly semi-permeable membrane, in the dilute and high concentration regimes. We then explore the diffusio-osmotic flow of a solute-solvent fluid adjacent to a solid surface, driven by a chemical potential gradient parallel to the surface. We propose a novel non-equilibrium MD (NEMD) methodology to simulate diffusio-osmosis, by imposing an external force on every particle, which properly mimics the chemical potential gradient on the solute in spite of the periodic boundary conditions...
May 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28527373/-i-don-t-believe-it-acceptance-and-skepticism-of-genetic-health-information-among-african-american-and-white-smokers
#5
Erika A Waters, Linda Ball, Sarah Gehlert
RATIONALE: Effective translation of genomics research into practice depends on public acceptance of genomics-related health information. OBJECTIVE: To explore how smokers come to accept or reject information about the relationship between genetics and nicotine addiction. METHODS: Thirteen focus groups (N = 84) were stratified by education (seven < Bachelor's degree, six ≥ Bachelor's degree) and race (eight black, five white). Participants viewed a 1-min video describing the discovery of a genetic variant associated with increased risk of nicotine addiction and lung cancer...
May 3, 2017: Social Science & Medicine
https://www.readbyqxmd.com/read/28526252/determinants-of-sleep-behavior-in-adolescents-a-pilot-study
#6
Reut Gruber, Gail Somerville, Soukaina Paquin, Johanne Boursier
PURPOSE: To identify determinants of sleep behavior in adolescents of middle to high socioeconomic status. METHODS: Eighteen students (9 boys, 9 girls) with a mean age of 14.9±1.5years were interviewed using a standardized script inspired by the theory of planned behavior. Interviews were audio-recorded and anonymously transcribed verbatim. In addition, participants completed a survey assessing demographic and health characteristics and their sleep duration was measured using actigraphy...
June 2017: Sleep Health
https://www.readbyqxmd.com/read/28525580/a-new-formulation-of-random-genetic-drift-and-its-application-to-the-evolution-of-cell-populations
#7
Yuxin Chen, Ding Tong, Chung-I Wu
Random genetic drift, or stochastic change in gene frequency, is a fundamental evolutionary force that is usually defined within the ideal Wright-Fisher (WF) population. However, as the theory is increasingly applied to populations that deviate strongly from the ideal model, a paradox of random drift has emerged. When drift is defined by the WF model, it becomes stronger as the population size, N, decreases. However, the intensity of competition decreases when N decreases and, hence, drift might become weaker...
May 19, 2017: Molecular Biology and Evolution
https://www.readbyqxmd.com/read/28525278/role-of-edge-engineering-in-photoconductiviy-of-graphene-nano-ribbons
#8
Ivan Ivanov, Yunbin Hu, Silvio Osella, Uliana Beser, Hai I Wang, David Beljonne, Akimitsu Narita, Klaus Müllen, Dmitry Turchinovich, Mischa Bonn
The effect of edge engineering of graphene nanoribbons (GNRs) on their ultrafast photoconductivity is investigated. Three different GNRs were fabricated by bottom-up synthesis in the liquid phase, where structure, width, and edge planarity could be controlled chemically at the atomic level. The charge carrier transport in the fabricated GNRs was studied on the ultrafast, sub-picosecond time-scale using time-resolved terahertz (THz) spectroscopy, giving access to the elementary parameters of carrier conduction...
May 19, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28524804/from-mirror-touch-synaesthesia-to-models-of-vicarious-experience-a-reply-to-commentaries
#9
Jamie Ward, Michael J Banissy
In this reply to the eight commentaries to our article (Ward & Banissy, 2015) we discuss three important challenges. Firstly, we discuss the relationship of mirror-touch to other forms of synaesthesia. We note that synaesthetic experiences are generally not mistaken as veridical but this does not mean that they lack percept-like qualities. We acknowledge that neither Threshold Theory nor Self-Other Theory offer a direct account of other forms of synaesthesia, although we discuss how the latter could. Secondly, we discuss alternative explanations...
May 19, 2017: Cognitive Neuroscience
https://www.readbyqxmd.com/read/28524689/facile-anhydrous-proton-transport-on-hydroxyl-functionalized-graphane
#10
Abhishek Bagusetty, Pabitra Choudhury, Wisssam A Saidi, Bridget Derksen, Elizabeth Gatto, J Karl Johnson
Graphane functionalized with hydroxyl groups is shown to rapidly conduct protons under anhydrous conditions through a contiguous network of hydrogen bonds. Density functional theory calculations predict remarkably low barriers to diffusion of protons along a 1D chain of surface hydroxyls. Diffusion is controlled by the local rotation of hydroxyl groups, a mechanism that is very different from that found in 1D water wires in confined nanopores or in bulk water. The proton mean square displacement in the 1D chain was observed to follow Fickian diffusion rather than the expected single-file mobility...
May 5, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28522358/self-tolerance-and-autoimmunity-in-a-minimal-model-of-the-idiotypic-network
#11
Stefan Landmann, Nicolas Preuss, Ulrich Behn
We consider self-tolerance and its failure -autoimmunity- in a minimal mathematical model of the idiotypic network. A node in the network represents a clone of B-lymphocytes and its antibodies of the same idiotype which is encoded by a bitstring. The links between nodes represent possible interactions between clones of almost complementary idiotype. A clone survives only if the number of populated neighbored nodes is neither too small nor too large. The dynamics is driven by the influx of lymphocytes with randomly generated idiotype from the bone marrow...
May 15, 2017: Journal of Theoretical Biology
https://www.readbyqxmd.com/read/28522128/does-adult-attachment-style-mediate-the-relationship-between-childhood-maltreatment-and-mental-and-physical-health-outcomes
#12
Cathy Spatz Widom, Sally J Czaja, Sandra Sepulveda Kozakowski, Preeti Chauhan
Attachment theory has been proposed as one explanation for the relationship between childhood maltreatment and problematic mental and physical health outcomes in adulthood. This study seeks to determine whether: (1) childhood physical abuse and neglect lead to different attachment styles in adulthood, (2) adult attachment styles predict subsequent mental and physical health outcomes, and (3) adult attachment styles mediate the relationship between childhood physical abuse and neglect and mental and physical health outcomes...
May 15, 2017: Child Abuse & Neglect
https://www.readbyqxmd.com/read/28521768/development-of-a-written-assessment-for-a-national-interprofessional-cardiotocography-education-program
#13
Line Thellesen, Thomas Bergholt, Morten Hedegaard, Nina Palmgren Colov, Karl Bang Christensen, Kristine Sylvan Andersen, Jette Led Sorensen
BACKGROUND: To reduce the incidence of hypoxic brain injuries among newborns a national cardiotocography (CTG) education program was implemented in Denmark. A multiple-choice question test was integrated as part of the program. The aim of this article was to describe and discuss the test development process and to introduce a feasible method for written test development in general. METHODS: The test development was based on the unitary approach to validity. The process involved national consensus on learning objectives, standardized item writing, pilot testing, sensitivity analyses, standard setting and evaluation of psychometric properties using Item Response Theory models...
May 18, 2017: BMC Medical Education
https://www.readbyqxmd.com/read/28521756/rethinking-physical-activity-communication-using-focus-groups-to-understand-women-s-goals-values-and-beliefs-to-improve-public-health
#14
Michelle Segar, Jennifer M Taber, Heather Patrick, Chan L Thai, April Oh
BACKGROUND: Communication about physical activity (PA) frames PA and influences what it means to people, including the role it plays in their lives. To the extent that PA messages can be designed to reflect outcomes that are relevant to what people most value experiencing and achieving in their daily lives, the more compelling and effective they will be. Aligned with self-determination theory, this study investigated proximal goals and values that are salient in everyday life and how they could be leveraged through new messaging to better support PA participation among women...
May 18, 2017: BMC Public Health
https://www.readbyqxmd.com/read/28521216/removing-the-effect-of-blooming-from-potential-energy-measurement-by-employing-total-internal-reflection-microscopy-integrated-with-video-microscopy
#15
Feng Cao, Xiangjun Gong, Chuanxin He, To Ngai
Total internal reflection microscopy (TIRM) measures the interactions between a colloidal particle and a flat surface in aqueous solution. Recently, TIRM has further integrated with video microscopy (VM) and enabled the simultaneous measurements of multi-particle colloid-surface interactions in the same ensemble. However, there still remain challenges about accurate image acquisition due to blooming. Blooming means the number of photons reaching the detector exceeds its maximum capacity, and the excess photons will either spill to adjacent pixels or not be counted, leading to an obstacle from precise determination of intensity...
May 10, 2017: Journal of Colloid and Interface Science
https://www.readbyqxmd.com/read/28521154/-the-world-is-upside-down-the-innsbruck-goggle-experiments-of-theodor-erismann-1883-1961-and-ivo-kohler-1915-1985
#16
Pierre Sachse, Ursula Beermann, Markus Martini, Thomas Maran, Markus Domeier, Marco R Furtner
The "Innsbruck Goggle Experiments" on long-term wearing of reversing mirrors, prismatic and half prismatic goggles, and colored half goggles represent a milestone in research on adaptation (adapting to the introduced "disturbance") and after-effects (after removal of the "disturbance"). By means of these goggles it is, for example, possible to invert or distort the visual field (such as flipping top and bottom or left and right), as well as to observe how individuals learn to change the image back to vertical or recognize left and right...
April 23, 2017: Cortex; a Journal Devoted to the Study of the Nervous System and Behavior
https://www.readbyqxmd.com/read/28520668/structural-connectivity-related-to-persistent-symptoms-after-mild-tbi-in-adolescents-and-response-to-aerobic-training-preliminary-investigation
#17
Weihong Yuan, Shari L Wade, Catherine Quatman-Yates, Jason A Hugentobler, Paul J Gubanich, Brad G Kurowski
OBJECTIVE: To quantify structural connectivity abnormalities in adolescents with mild traumatic brain injury (mTBI) and to investigate connectivity changes following aerobic training using graph theory and diffusion tensor imaging tractography. SETTING: Outpatient research setting. PARTICIPANTS: Twenty-two children (age: 15.83 ± 1.77 years, 10 females) with 4 to 16 weeks of persistent symptoms after mTBI and a matched healthy comparison group...
May 17, 2017: Journal of Head Trauma Rehabilitation
https://www.readbyqxmd.com/read/28516851/intimate-partner-abuse-and-attachment-a-comparison-between-abused-and-nonabused-women
#18
M Meghan Davidson, Michael S Butchko, Janice E Castro, Krista Robbins
The purpose of this study was to examine intimate partner abuse (IPA), parental attachment, and romantic attachment among college women. More specifically, IPA was examined such that women who had experienced abuse and those who had not were compared with respect to parental and romantic attachment using the lens of attachment theory. Undergraduate women (N = 502) completed an online survey assessing their experiences of IPA as well as their parental and romantic attachment styles. Bivariate correlations demonstrated that IPA was significantly associated with all study variables (i...
May 17, 2017: Violence and Victims
https://www.readbyqxmd.com/read/28516304/strategy-for-designing-stable-and-powerful-nitrogen-rich-high-energy-materials-by-introducing-boron-atoms
#19
Wen-Jie Wu, Wei-Jie Chi, Quan-Song Li, Ze-Sheng Li
One of the most important aims in the development of high-energy materials is to improve their stability and thus ensure that they are safe to manufacture and transport. In this work, we theoretically investigated open-chain N4B2 isomers using density functional theory in order to find the best way of stabilizing nitrogen-rich molecules. The results show that the boron atoms in these isomers are aligned linearly with their neighboring atoms, which facilitates close packing in the crystals of these materials...
June 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28516170/mott-physics-beyond-brinkman-rice-scenario
#20
Marcin M Wysokiński, Michele Fabrizio
The main flaw of the well-known Brinkman-Rice description, obtained through the Gutzwiller approximation, of the paramagnetic Mott transition in the Hubbard model is in neglecting high-energy virtual processes that generate for instance the antiferromagnetic exchange J ~ t(2)/U. Here we propose a way to capture those processes by combining the Brinkman-Rice approach with a variational Schrieffer-Wolff transformation, and apply this method to study the single-band metal-to-insulator transition in a Bethe lattice with infinite coordination number, where the Gutzwiller approximation becomes exact...
April 15, 2017: Physical Review. B
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