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Marco Armando, Corrado Sandini, Maelle Chambaz, Marie Schaer, Maude Schneider, Stephan Eliez
Converging evidence suggests that psychosis emerges from the complex interaction of genetic and environmental factors. Stressful life events (SLEs) play a prominent role in combination with coping strategies and with a dysfunctional hypothalamus-pituitary-adrenal axis (HPAA). It has been proposed that the framework of schizotypy might help disentangle the interaction between genetic and environmental factors in the pathogenesis of psychosis. Similarly, 22q11.2 deletion syndrome (22q11DS) is considered as a genetic model of psychosis vulnerability...
March 14, 2018: Schizophrenia Bulletin
Christos Dimitrakopoulos, Sravanth Kumar Hindupur, Luca Häfliger, Jonas Behr, Hesam Montazeri, Michael N Hall, Niko Beerenwinkel
Motivation: Several molecular events are known to be cancer-related, including genomic aberrations, hypermethylation of gene promoter regions, and differential expression of microRNAs. These aberration events are very heterogeneous across tumors and it is poorly understood how they affect the molecular makeup of the cell, including the transcriptome and proteome. Protein interaction networks can help decode the functional relationship between aberration events and changes in gene and protein expression...
March 14, 2018: Bioinformatics
Pei-Hui Wang, Sin-Yee Fung, Wei-Wei Gao, Jian-Jun Deng, Yun Cheng, Vidyanath Chaudhary, Kit-San Yuen, Ting-Hin Ho, Ching-Ping Chan, Yan Zhang, Kin-Hang Kok, Wanling Yang, Chi-Ping Chan, Dong-Yan Jin
STING is a core adaptor in innate nucleic acid sensing in mammalian cells, on which different sensing pathways converge to induce type I interferon (IFN) production. Particularly, STING is activated by 2'3'-cGAMP, a cyclic dinucleotide containing mixed phosphodiester linkages and produced by cytoplasmic DNA sensor cGAS. Here, we reported on a novel transcript isoform of STING designated STING-β that dominantly inhibits innate nucleic acid sensing. STING-β without transmembrane domains was widely expressed at low levels in various human tissues and viral induction of STING-β correlated inversely with IFN-β production...
March 14, 2018: Nucleic Acids Research
Alberto Perez, Florian Sittel, Gerhard Stock, Ken A Dill
The molecular actions of proteins occur along reaction coordinates. Current computer methods have limited ability to explore them. We describe a fast protocol called MELD-path that: (1) efficiently samples relevant conformational states via MELD, an accelerator of Molecular Dynamics (MD), (2) seeds multiple short MD trajectories from MELD states, then (3) constructs Markov State Models (MSM) that give the routes and kinetics. We tested the method against extensive (multi μs) MD simulations of the right-handed- to left-handed-helix transition of a 9-mer peptide of AIB, the symmetry of which allows us to establish convergence...
March 16, 2018: Journal of Chemical Theory and Computation
Ricardo Cartes-Velásquez, Luis Luengo-Machucaa
OBJECTIVE: To adapt and validate the Rapid Estimate of Adult Literacy in Dentistry (REALD-30) for the Chilean population. METHODS: REALD-30 was translated to Spanish, piloted, and revised by experts. Demographics, oral health status, oral health-related quality of life, and health literacy were analyzed. Summary measures, internal consistency, reliability, and convergent and predictive validity were calculated. RESULTS: Cronbach's alpha was 0...
March 2018: Puerto Rico Health Sciences Journal
Kurtis H Dekker, Rubin Hazarika, Matheus A Silveira, Kevin J Jordan
Optical cone beam computed tomography (CT) scanning of radiochromic gel dosimeters, using a CCD camera and a low stray light convergent source, provides fast, truly 3D radiation dosimetry with high accuracy. However, a key limiting factor in radiochromic gel dosimetry at large (⩾10 cm diameter) volumes is the initial attenuation of the dosimeters. It is not unusual to observe a 5-10×  difference in signal intensity through the dosimeter center versus through the surrounding medium in pre-irradiation images...
March 16, 2018: Physics in Medicine and Biology
Joseph M Kasper, David B Williams-Young, Eugene Vecharynski, Chao Yang, Xiaosong Li
The time-dependent Hartree-Fock (TDHF) and time-dependent density functional theory (TDDFT) equations allow one to probe electronic resonances of a system quickly and cheaply. However, the iterative solution of the eigenvalue problem can be challenging or impossible to converge with standard methods such as the Davidson algorithm for spectrally dense regions in the interior of the spectrum as are common in X-ray absorption spectroscopy (XAS). More robust solvers such as the generalized preconditioned locally harmonic residual (GPLHR) method can alleviate this problem, but at the expense of higher average computational cost...
March 16, 2018: Journal of Chemical Theory and Computation
Pedro Ruymán Brito-Brito, Esther García-Tesouro, Domingo Ángel Fernández-Gutiérrez, Alfonso Miguel García-Hernández, Raquel Fernández-Gutiérrez, Guillermo Burillo-Putze
OBJECTIVES: To validate a Spanish adaptation of the Mishel Uncertainty of Illness Scale for use with emergency-department (ED) patients and their accompanying relatives or friends (the UIS-ED). MATERIAL AND METHODS: We first developed a version of the questionnaire for Spanish ED situations. Next we assessed the content validity index for each of its items, revised it, and reassessed its face validity to produce a second version, which we then piloted in 20 hospital ED patients...
2018: Emergencias: Revista de la Sociedad Española de Medicina de Emergencias
Tibor Gyori, Balazs Olasz, Gabor Paragi, Gabor Czako
Accuracy of the different levels of electronic structure theory is frequently studied for stationary-point properties, however, little is known about the effects of the electronic structure methods and basis sets on the dynamics of chemical reactions. Here we report such an investigation for the F- + CH3 I SN 2 and proton-transfer reactions by developing 20 different analytical potential energy surfaces (PESs) obtained at the HF/DZ, HF/TZ, HF-D3(BJ)/DZ, HF-D3(BJ)/TZ, MP2/DZ, MP2/TZ, MP2-F12/DZ, MP2-F12/TZ, CCSD/DZ, CCSD-F12b/DZ, CCSD(T)/DZ, CCSD(T)-F12b/DZ, OQVCCD(T)/DZ, B97-1/TZ, PBE0/TZ, PBE0-D3(BJ)/TZ, M06-2X/TZ, M06-2X-D3(0)/TZ, B2PLYP/TZ, and B2PLYP-D3(BJ)/TZ levels of theory, where DZ and TZ denote the aug-cc-pVDZ and aug-cc-pVTZ basis sets with a relativistic effective core potential and the corresponding bases for iodine...
March 16, 2018: Journal of Physical Chemistry. A
David De Vito, Anne E Ferrey, Mark J Fenske, Naseem Al-Aidroos
Ignoring visual stimuli in the external environment leads to decreased liking of those items, a phenomenon attributed to the affective consequences of attentional inhibition. Here we investigated the generality of this "distractor devaluation" phenomenon by asking whether ignoring stimuli represented internally within visual working memory has the same affective consequences. In two experiments we presented participants with two or three visual stimuli and then, after the stimuli were no longer visible, provided an attentional cue indicating which item in memory was the target they would have to later recall, and which were task-irrelevant distractors...
March 15, 2018: Cognitive, Affective & Behavioral Neuroscience
Patrick Ip, Winnie Tso, Nirmala Rao, Frederick Ka Wing Ho, Ko Ling Chan, King Wa Fu, Sophia Ling Li, Winnie Goh, Wilfred Hing-Sang Wong, Chun Bong Chow
BACKGROUND: Proper parent-child interaction is crucial for child development, but an assessment tool in Chinese is currently lacking. This study aimed to develop and validate a parent-reported parent-child interaction scale for Chinese preschool children. METHODS: The Chinese parent-child interaction scale (CPCIS) was designed by an expert panel based on the literature and clinical observations in the Chinese context. The initial CPCIS had 14 parent-child interactive activity items...
March 15, 2018: World Journal of Pediatrics: WJP
Ann M Steffen, Dolores Gallagher-Thompson, Katherine M Arenella, Alma Au, Sheung-Tak Cheng, María Crespo, Victoria Cristancho-Lacroix, Javier López, Andrés Losada-Baltar, María Márquez-González, Celia Nogales-González, Rosa Romero-Moreno
Background and Objectives: This article reviews an instrument used in cross-national research with dementia family caregivers-the Revised Scale for Caregiving Self-Efficacy (RSCSE). Although the RSCSE has been translated into multiple languages, few studies have examined scale performance across samples. We examine congruence of psychometric, reliability, and validity data to inform research and practice. Methods: We conducted citation searches using Scopus, Google Scholar, Web of Science, and PsycINFO...
March 12, 2018: Gerontologist
Camila Carlos, Huan Fan, Cameron R Currie
Deconstructing the intricate matrix of cellulose, hemicellulose, and lignin poses a major challenge in biofuel production. In diverse environments in nature, some microbial communities, are able to overcome plant biomass recalcitrance. Identifying key degraders of each component of plant cell wall can help improve biological degradation of plant feedstock. Here, we sequenced the metagenome of lignocellulose-adapted microbial consortia sub-cultured on xylan and alkali lignin media. We observed a drastic shift on community composition after sub-culturing, independently of the original consortia...
2018: Frontiers in Microbiology
Paola Imbriani, Tommaso Schirinzi, Maria Meringolo, Nicola B Mercuri, Antonio Pisani
Significant advances have been made in the understanding of the numerous mechanisms involved in Parkinson's disease (PD) pathogenesis. The identification of PD pathogenic mutations and the use of different animal models have contributed to better elucidate the processes underlying the disease. Here, we report a brief survey of some relevant cellular mechanisms, including autophagic-lysosomal dysfunction, endoplasmic reticulum stress, and mitochondrial impairment, with the main aim to focus on their potential convergent roles in determining early alterations at the synaptic level, mainly consisting in a decrease in dopamine release at nigrostriatal terminals and loss of synaptic plasticity at corticostriatal synapses...
2018: Frontiers in Neurology
Marc P Forrest, Euan Parnell, Peter Penzes
The structure of neuronal circuits that subserve cognitive functions in the brain is shaped and refined throughout development and into adulthood. Evidence from human and animal studies suggests that the cellular and synaptic substrates of these circuits are atypical in neuropsychiatric disorders, indicating that altered structural plasticity may be an important part of the disease biology. Advances in genetics have redefined our understanding of neuropsychiatric disorders and have revealed a spectrum of risk factors that impact pathways known to influence structural plasticity...
March 16, 2018: Nature Reviews. Neuroscience
Franz X Bauer, Veronika Heinrich, Florian D Grill, Felix Wölfle, Dennis M Hedderich, Andrea Rau, Klaus-Dietrich Wolff, Lucas M Ritschl, Denys J Loeffelbein
Nasoalveolar Molding (NAM) is associated with ambivalent acceptance regarding effectiveness and unknown long-term results. Our purpose was to analyze the stress distribution patterns within the viscero- and neurocranium of neonates during the first phase of NAM therapy. A finite element (FE) model of a healthy four-week-old neonate was generated, derived from a computed tomography scan allowing the implementation of a bone-density-dependent material model. The influence of dental germs with variable material properties, the cleft width and area of expected force application were analyzed in a worst-case scenario...
February 2, 2018: Journal of Cranio-maxillo-facial Surgery
Matthew S Church, Timothy J H Hele, Gregory S Ezra, Nandini Ananth
We extend the Mixed Quantum-Classical Initial Value Representation (MQC-IVR), a semiclassical method for computing real-time correlation functions, to electronically nonadiabatic systems using the Meyer-Miller-Stock-Thoss (MMST) Hamiltonian in order to treat electronic and nuclear degrees of freedom (dofs) within a consistent dynamic framework. We introduce an efficient symplectic integration scheme, the MInt algorithm, for numerical time evolution of the phase space variables and monodromy matrix under the non-separable MMST Hamiltonian...
March 14, 2018: Journal of Chemical Physics
Christopher Robertson, Scott Habershon
We present an approximation to the thermal symmetric form of the quantum time-correlation function in the standard position path-integral representation. By transforming to a sum-and-difference position representation and then Taylor-expanding the potential energy surface of the system to second order, the resulting expression provides a harmonic weighting function that approximately recovers the contribution of the phase to the time-correlation function. This method is readily implemented in a Monte Carlo sampling scheme and provides exact results for harmonic potentials (for both linear and non-linear operators) and near-quantitative results for anharmonic systems for low temperatures and times that are likely to be relevant to condensed phase experiments...
March 14, 2018: Journal of Chemical Physics
Igor Poltavsky, Robert A DiStasio, Alexandre Tkatchenko
Nuclear quantum effects (NQE), which include both zero-point motion and tunneling, exhibit quite an impressive range of influence over the equilibrium and dynamical properties of molecules and materials. In this work, we extend our recently proposed perturbed path-integral (PPI) approach for modeling NQE in molecular systems [I. Poltavsky and A. Tkatchenko, Chem. Sci. 7, 1368 (2016)], which successfully combines the advantages of thermodynamic perturbation theory with path-integral molecular dynamics (PIMD), in a number of important directions...
March 14, 2018: Journal of Chemical Physics
Xin Bai, Jing Qiu, Linjun Wang
We provide an in-depth investigation of the time interval convergence when both trivial crossing and decoherence corrections are applied to Tully's fewest switches surface hopping (FSSH) algorithm. Using one force-based and one energy-based decoherence strategies as examples, we show decoherence corrections intrinsically enhance the trivial crossing problem. We propose a restricted decoherence (RD) strategy and incorporate it into the self-consistent (SC) fewest switches surface hopping algorithm [L. Wang and O...
March 14, 2018: Journal of Chemical Physics
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