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https://www.readbyqxmd.com/read/28449364/the-association-between-peritraumatic-dissociation-and-ptsd-symptoms-the-mediating-role-of-negative-beliefs-about-the-self
#1
Johanna Thompson-Hollands, Janie J Jun, Denise M Sloan
Peritraumatic dissociation, a term used to describe a complex array of reactions to trauma, including depersonalization, derealization, and emotional numbness, has been associated with posttraumatic stress disorder (PTSD) symptoms across a number of studies. Cognitive theory suggests that interpretations of traumatic events and reactions underlie the persistence of PTSD. The present study examined the associations among peritraumatic dissociation, posttraumatic cognitions, and PTSD symptoms in a group of trauma-exposed adults (N = 169)...
April 2017: Journal of Traumatic Stress
https://www.readbyqxmd.com/read/28448902/surface-modified-tio2-nanoparticles-with-ascorbic-acid-antioxidant-properties-and-efficiency-against-dna-damage-in-vitro
#2
Vladan Bajić, Biljana Spremo-Potparević, Lada Živković, Andrea Čabarkapa, Jelena Kotur-Stevuljević, Esma Isenović, Dušan Sredojević, Ivana Vukoje, Vesna Lazić, S Phillip Ahrenkiel, Jovan M Nedeljković
The antigenotoxic and antioxidative properties of surface-modified TiO2 nanoparticles (NPs) with ascorbic acid (AA) were compared with those of constituents (free AA and bare TiO2 NPs). Colloids consisting of the TiO2 NPs with anatase crystal structure were prepared by acidic hydrolysis of TiCl4. The synthesized TiO2 NPs were characterized using transmission electron microscopy and X-ray diffraction analysis. The charge transfer (CT) complex formation between surface Ti atoms and AA is indicated by immediate appearance of red color...
April 14, 2017: Colloids and Surfaces. B, Biointerfaces
https://www.readbyqxmd.com/read/28448876/study-on-electronic-properties-thermodynamic-and-kinetic-parameters-of-the-selected-platinum-ii-derivatives-interacting-with-guanine
#3
Filip Šebesta, Jaroslav V Burda
Interaction of hydrated forms of several potential anticancer agents (PtCl2(diaminocyclohexane), trans-[PtCl2(NH3)(thiazole)], cis-[PtCl2(NH3)(piperidine)], and cis-PtCl2(NH3)(cyclohexylamine) complexes) with guanine are explored and compared with an analogous interaction of cisplatin. Basic electronic properties, binding and stabilization energies are determined and energy profiles for the aquation reaction are estimated at the B3LYP/6-311++G(2df,2pd) level of theory. It is found that the substitution reaction is an exothermic and exergonic process with ΔG slightly less negative than -20kcal/mol...
April 12, 2017: Journal of Inorganic Biochemistry
https://www.readbyqxmd.com/read/28448612/hydrodynamic-characteristics-of-submerged-vegetation-flow-with-non-constant-vertical-porosity
#4
Mingdeng Zhao, Zilong Fan
In order to investigate the influence of the vertical variation of porosity on open-channel flow with submerged vegetation, vertical non-homogeneous stumps and stems in submerged vegetation flow are simulated with truncated cones in a laboratory flume. First, porosity is defined as a function of water depth. A new governing equation for vegetation flow is established on the basis of the poroelastic media flow theory, and its analytical solution is obtained with the finite analytic method. Then, the fitting expression of permeability is established with experimental data, which shows the variation in permeability with vertical porosity and vegetation density...
2017: PloS One
https://www.readbyqxmd.com/read/28447842/cognitive-coupling-during-reading
#5
Caitlin Mills, Art Graesser, Evan F Risko, Sidney K D'Mello
We hypothesize that cognitively engaged readers dynamically adjust their reading times with respect to text complexity (i.e., reading times should increase for difficult sections and decrease for easier ones) and failure to do so should impair comprehension. This hypothesis is consistent with theories of text comprehension but has surprisingly been untested. We tested this hypothesis by analyzing 4 datasets in which participants (N = 484) read expository texts using a self-paced reading paradigm. Participants self-reported mind wandering in response to pseudorandom thought-probes during reading and completed comprehension assessments after reading...
April 27, 2017: Journal of Experimental Psychology. General
https://www.readbyqxmd.com/read/28447834/perspectives-of-low-income-chronically-ill-patients-on-complex-care-management
#6
Alice Y Mao, Rachel Willard-Grace, Leslie Dubbin, Louise Aronson, Alicia Fernandez, Nancy J Burke, Julia Finch, Elizabeth Davis
INTRODUCTION: Low-income, chronically ill adults disproportionately experience poor health outcomes despite increased health care use and costs. Complex care management (CCM) programs are an innovative approach to improving outcomes for these patients, but little is known about the patients' experiences in CCM programs in safety net primary care settings. METHOD: The authors conducted semistructured interviews with 13 CCM participants in a safety net primary care clinic to explore their perceptions of their health and their experiences with CCM...
April 27, 2017: Families, Systems & Health: the Journal of Collaborative Family Healthcare
https://www.readbyqxmd.com/read/28447689/chemodynamics-of-metal-ion-complexation-by-charged-nanoparticles-a-dimensionless-rationale-for-soft-core-shell-and-hard-particle-types
#7
Jérôme F L Duval
Soft nanoparticulate complexants are defined by a spatial confinement of reactive sites and electric charges inside their 3D body. In turn, their reactivity with metal ions differs significantly from that of simple molecular ligands. A revisited form of the Eigen mechanism recently elucidated the processes leading to metal/soft particle pair formation. Depending on e.g. particle size and metal ion nature, chemodynamics of nanoparticulate metal complexes is controlled by metal conductive diffusion to/from the particles, by intraparticulate complex formation/dissociation kinetics, or by both...
April 27, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28446864/neural-entrainment-to-polyrhythms-a-comparison-of-musicians-and-non-musicians
#8
Jan Stupacher, Guilherme Wood, Matthias Witte
Music can be thought of as a dynamic path over time. In most cases, the rhythmic structure of this path, such as specific sequences of strong and weak beats or recurring patterns, allows us to predict what and particularly when sounds are going to happen. Without this ability we would not be able to entrain body movements to music, like we do when we dance. By combining EEG and behavioral measures, the current study provides evidence illustrating the importance of ongoing neural oscillations at beat-related frequencies-i...
2017: Frontiers in Neuroscience
https://www.readbyqxmd.com/read/28446185/evidence-based-policymaking-is-not-like-evidence-based-medicine-so-how-far-should-you-go-to-bridge-the-divide-between-evidence-and-policy
#9
EDITORIAL
Paul Cairney, Kathryn Oliver
There is extensive health and public health literature on the 'evidence-policy gap', exploring the frustrating experiences of scientists trying to secure a response to the problems and solutions they raise and identifying the need for better evidence to reduce policymaker uncertainty. We offer a new perspective by using policy theory to propose research with greater impact, identifying the need to use persuasion to reduce ambiguity, and to adapt to multi-level policymaking systems.We identify insights from secondary data, namely systematic reviews, critical analysis and policy theories relevant to evidence-based policymaking...
April 26, 2017: Health Research Policy and Systems
https://www.readbyqxmd.com/read/28446105/evaluating-methods-of-correcting-for-multiple-comparisons-implemented-in-spm12-in-social-neuroscience-fmri-studies-an-example-from-moral-psychology
#10
Hyemin Han, Andrea L Glenn
In fMRI research, the goal of correcting for multiple comparisons is to identify areas of activity that reflect true effects, and thus would be expected to replicate in future studies. Finding an appropriate balance between trying to minimize false positives (Type I error) while not being too stringent and omitting true effects (Type II error) can be challenging. Furthermore, the advantages and disadvantages of these types of errors may differ for different areas of study. In many areas of social neuroscience that involve complex processes and considerable individual differences, such as the study of moral judgment, effects are typically smaller and statistical power weaker, leading to the suggestion that less stringent corrections that allow for more sensitivity may be beneficial, but also result in more false positives...
April 27, 2017: Social Neuroscience
https://www.readbyqxmd.com/read/28445819/structural-and-spectroscopic-properties-of-complexes-formed-between-hncs-and-so2-in-low-temperature-matrices
#11
Justyna Krupa, Maria Wierzejewska
Matrix isolation FTIR spectroscopy has been combined with quantum chemical calculations in the aim to characterize complexes of isothiocyanic acid HNCS with SO2. The geometries of the 1:1, 1:2 and 2:1 complexes were optimized at the MP2 and DFT (B3LYPD3) levels of theory with the 6-311++G(3df,3pd) basis set. Five different HNCS⋯SO2 structures of the 1:1 stoichiometry were optimized. Three of them involve a weak NH⋯O hydrogen bond whereas two other geometries are stabilized by van der Waals interactions of various types...
April 19, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28445589/a-network-engineering-perspective-on-probing-and-perturbing-cognition-with-neurofeedback
#12
REVIEW
Danielle S Bassett, Ankit N Khambhati
Network science and engineering provide a flexible and generalizable tool set to describe and manipulate complex systems characterized by heterogeneous interaction patterns among component parts. While classically applied to social systems, these tools have recently proven to be particularly useful in the study of the brain. In this review, we describe the nascent use of these tools to understand human cognition, and we discuss their utility in informing the meaningful and predictable perturbation of cognition in combination with the emerging capabilities of neurofeedback...
April 26, 2017: Annals of the New York Academy of Sciences
https://www.readbyqxmd.com/read/28445213/learner-patient-and-supervisor-features-are-associated-with-different-types-of-cognitive-load-during-procedural-skills-training-implications-for-teaching-and-instructional-design
#13
Justin L Sewell, Christy K Boscardin, John Q Young, Olle Ten Cate, Patricia S O'Sullivan
PURPOSE: Cognitive load theory, focusing on limits of the working memory, is relevant to medical education; however, factors associated with cognitive load during procedural skills training are not well characterized. The authors sought to determine how features of learners, patients/tasks, settings, and supervisors were associated with three types of cognitive load among learners performing a specific procedure, colonoscopy, to identify implications for procedural teaching. METHOD: Data were collected through an electronically administered survey sent to 1,061 U...
April 25, 2017: Academic Medicine: Journal of the Association of American Medical Colleges
https://www.readbyqxmd.com/read/28444700/fluorescence-lifetime-imaging-and-super-resolution-microscopies-shed-light-on-the-directed-and-self-assembly-of-functional-porphyrins-onto-carbon-nanotubes-and-flat-surfaces
#14
Boyang Mao, David González Calatayud, Vincenzo Mirabello, Haobo Ge, Benjamin J Hodges, Robert M J Jacobs, Ashley M Shepherd, José Alberto Ribeiro Martins, Navaratnarajah Kuganathan, Jorge Bernardino De La Serna, Stanley W Botchway, Sofia Ioana Pascu
Two new routes to functionalized SWNTs have been established using a bulky Zn(II)-porphyrin featuring thiolate groups at the periphery. We probed the optical properties of this Zinc(II)-substituted, bulky aryl porphyrin and those of the corresponding new nano-composites with single walled carbon nanotube (SWNTs) and coronene, as a model for graphene. We report hereby on: (i) the supramolecular interactions between the pristine SWNTs and Zn(II)-porphyrin by virtue of π-π stacking, and (ii) a novel covalent binding strategy based on the Bingel reaction...
April 25, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28444218/current-dilemmas-in-defining-the-boundaries-of-disease
#15
Jenny Doust, Mary Jean Walker, Wendy A Rogers
Boorse's biostatistical theory states that diseases should be defined in ways that reflect disturbances of biological function and that are objective and value free. We use three examples from contemporary medicine that demonstrate the complex issues that arise when defining the boundaries of disease: polycystic ovary syndrome, chronic kidney disease, and myocardial infarction. We argue that the biostatistical theory fails to provide sufficient guidance on where the boundaries of disease should be drawn, contains ambiguities relating to choice of reference class, and is out of step with medical processes for identifying disease boundaries...
April 21, 2017: Journal of Medicine and Philosophy
https://www.readbyqxmd.com/read/28443864/planar-chiral-ferrocenylphosphine-borane-complexes-featuring-agostic-type-b-he-e-hg-sn-interactions
#16
Alain C Tagne Kuate, Roger A Lalancette, F Jäkle
The synthesis of ferrocenylphosphine-borane adducts 1,2-fc(E)(PPh2·BH3) (E = SnR2R', HgX; 1,2-fc = 1,2-ferrocenediyl) that are substituted with organotin or organomercury Lewis acid moieties in ortho-position is presented. Several compounds that feature two ferrocenylphosphine-borane moieties bridged by Sn or Hg are also introduced. The products are fully characterized by multinuclear NMR spectroscopy, high-resolution MALDI-TOF mass spectrometry and elemental analysis. The attachment of the Lewis acid substituent to the same Cp ring of the ferrocene results in planar-chirality and the close proximity between the boron hydride group and the Lewis acid is expected to allow for agostic-type B-HE (E = Sn, Hg) interactions...
April 26, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28443663/host-guest-interactions-accompanying-the-encapsulation-of-1-4-diazabicyclo-2-2-2-octane-within-endo-functionalized-macrocycles
#17
Dipali N Lande, Maneesha N Shewale, Shridhar P Gejji
Binding of novel endo-functionalized bis-urea/thiourea molecular receptors toward neutral 1,4-diazabicyclo[2.2.2]octane (DABCO) demonstrating stronger binding of the bis-thiourea macrocycles than their urea analogues by employing M06-2X/6-31+G(d,p) based density functional theory. The formation of such inclusion complexes is spontaneous, thermodynamically favorable and facilitated via the bifurcated N-H•••N•••H-N hydrogen bonding, C-H•••π, dipole-dipole and other non-covalent interactions, which reflect in the 'frequency shift' of their characteristic N-H vibrations in the calculated vibrational spectra of these complexes...
April 26, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28443604/edge-functionalization-of-armchair-graphene-nanoribbons-with-pentagonal-hexagonal-edge-structures
#18
Junga Ryou, Jinwoo Park, Gunn Kim, Suklyun Hong
Using density functional theory calculations, we have studied the edge-functionalization of armchair graphene nanoribbons (AGNRs) with pentagonal-hexagonal edge structures. While the AGNRs with pentagonal-hexagonal edge structures (labeled (5,6)-AGNRs) are metallic, the edge-functionalized (5,6)-AGNRs with substitutional atoms (i.e., nitrogen, oxygen, sulfur, and selenium) opens a band gap, similarly to the defect-free AGNRs. Furthermore, we find that electronic band structures and charge densities vary, depending on the wave vector: The band structures of edge-functionalized (5,6)-N-AGNRs by substitution resemble those of defect-free (N-1)-AGNR at the Γ point, while those at the X point show the original ones of the defect-free N-AGNR...
April 26, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28443335/selective-complexation-of-cyanide-and-fluoride-ions-with-ammonium-boranes-a-theoretical-study-on-sensing-mechanism-involving-intramolecular-charge-transfer-and-configurational-changes
#19
Haamid Rasool Bhat, Prakash Chandra Jha
The anion binding selectivity and the recognition mechanism of two isomeric boranes namely 4-[bis(2,4,6-trimethylphenyl)boranyl]-N,N,N-trimethylaniline ([p-(Mes2B)C6H4(NMe3)]+, 1, where 'Mes' represents mesitylene and 'Me' represents methyl) and 2-[bis(2,4,6-trimethylphenyl)boranyl]-N,N,N-trimethylaniline ([o-(Mes2B)C6H4(NMe3)]+, 2) has been investigated using density functional theory (DFT) and time dependent-density functional theory (TD-DFT) methods. Natural population analysis indicates that the central boron atoms in 1 and 2 are the most active centers for nucleophilic addition of anions...
April 26, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28443326/ionic-liquid-silica-precursors-via-solvent-free-sol-gel-process-and-their-application-in-epoxy-amine-network-a-theoretical-experimental-study
#20
Magdalena Perchacz, Ricardo Keitel Donato, Leandro Seixas, Alexander Zhigunov, Rafal Konefal, Magdalena Serkis-Rodzeń, Hynek Benes
This work describes the solvent-free sol-gel synthesis of epoxy-functionalized silica-based precursors, in the presence of 1-butyl-3-methylimidazolium-based ionic liquids (ILs) containing different anions - chloride (Cl(-)) and methanesulfonate (MeSO3(-)). The IL-driven sol-gel mechanisms were investigated in details using experimental characterizations ((29)Si NMR and ATR FTIR spectroscopy) and a theoretical computational method based on density functional theory (DFT). We observed a complex IL's influence on both hydrolysis and condensation steps, involving especially H-bonding and Coulomb coupling stabilization of the process intermediates...
April 26, 2017: ACS Applied Materials & Interfaces
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