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https://www.readbyqxmd.com/read/28723088/development-of-a-transferable-reactive-force-field-of-p-h-systems-application-to-the-chemical-and-mechanical-properties-of-phosphorene
#1
Hang Xiao, Xiaoyang Shi, Feng Hao, Xiangbiao Liao, Yayun Zhang, Xi Chen
We developed ReaxFF parameters for phosphorus and hydrogen to give a good description of the chemical and mechanical properties of pristine and defected black phosphorene. ReaxFF for P/H is transferable to a wide range of phosphorus and hydrogen containing systems including bulk black phosphorus, blue phosphorene, edge-hydrogenated phosphorene, phosphorus clusters and phosphorus hydride molecules. The potential parameters were obtained by conducting global optimization with respect to a set of reference data generated by extensive ab initio calculations...
July 19, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28722640/the-role-of-risk-proximity-in-the-beliefs-and-behaviors-related-to-mosquito-borne-diseases-the-case-of-chikungunya-in-french-guiana
#2
Claude Flamand, Camille Fritzell, Pauline Obale, Philippe Quenel, Jocelyn Raude
Human behaviors are increasingly recognized to play a key role in the spread of infectious diseases. Although a set of social and cognitive determinants has been consistently found to affect the adoption of health protective behaviors aiming to control and prevent a variety of infections, little is currently known about the ecological drivers of these behaviors in epidemic settings. In this article, we took advantage of the outbreak of chikungunya, a reemerging mosquito-borne disease, that occurred in French Guiana in 2014-15 to test empirically the assumption proposed by Zielinski-Gutierrez and Hayden that the proximity of the disease and perceptions of the natural environment may considerably shape public response to an emerging health threat...
June 12, 2017: American Journal of Tropical Medicine and Hygiene
https://www.readbyqxmd.com/read/28722337/validation-of-brain-derived-signals-in-near-infrared-spectroscopy-through-multivoxel-analysis-of-concurrent-functional-magnetic-resonance-imaging
#3
Yoshiya Moriguchi, Takamasa Noda, Kosei Nakayashiki, Yohei Takata, Shiori Setoyama, Shingo Kawasaki, Yoshihiko Kunisato, Kazuo Mishima, Kazuyuki Nakagome, Takashi Hanakawa
Near-infrared spectroscopy (NIRS) is a convenient and safe brain-mapping tool. However, its inevitable confounding with hemodynamic responses outside the brain, especially in the frontotemporal head, has questioned its validity. Some researchers attempted to validate NIRS signals through concurrent measurements with functional magnetic resonance imaging (fMRI), but, counterintuitively, NIRS signals rarely correlate with local fMRI signals in NIRS channels, although both mapping techniques should measure the same hemoglobin concentration...
July 19, 2017: Human Brain Mapping
https://www.readbyqxmd.com/read/28712468/the-impact-of-counter-perceptual-testimony-on-children-s-categorization-after-a-delay
#4
Samuel Ronfard, Jonathan D Lane, Muanjing Wang, Paul L Harris
When preschoolers are presented with a label for an entity that conflicts with its appearance, they sometimes rely on the new label rather than on the entity's appearance to categorize the entity and to infer its properties. We examined whether children's learning from such claims is short-lived or long-lasting and whether the persistence of their learning depends on the degree of fit between those claims and the available perceptual evidence. Children aged 3-5years (N=71) were asked to categorize hybrids. These hybrids combined 75% of the features from one animal or object with 25% of the features from a different animal or object...
July 13, 2017: Journal of Experimental Child Psychology
https://www.readbyqxmd.com/read/28709784/individual-decision-making-in-the-causal-pathway-to-addiction-contributions-and-limitations-of-rodent-models
#5
REVIEW
Serge H Ahmed
The causal pathway from vulnerability to drug use and addiction involves a complex interaction between genetic, environmental, and behavioral factors. An individual can intervene on this causal pathway by two major types of individual decision. There is the inaugural, momentous decision to use a drug for the first time. This decision is influenced by both prior knowledge on the drug and its expected effects, and also by prior self-knowledge on one's own vulnerability. After an individual has used a drug for the first time, there is the decision to repeat drug use...
July 12, 2017: Pharmacology, Biochemistry, and Behavior
https://www.readbyqxmd.com/read/28709323/noise-induced-stabilization-of-collective-dynamics
#6
Pau Clusella, Antonio Politi
We illustrate a counterintuitive effect of an additive stochastic force, which acts independently on each element of an ensemble of globally coupled oscillators. We show that a very small white noise not only broadens the clusters, wherever they are induced by the deterministic forces, but can also stabilize a linearly unstable collective periodic regime: self-consistent partial synchrony. With the help of microscopic simulations we are able to identify two noise-induced bifurcations. A macroscopic analysis, based on a perturbative solution of the associated nonlinear Fokker-Planck equation, confirms the numerical studies and allows determining the eigenvalues of the stability problem...
June 2017: Physical Review. E
https://www.readbyqxmd.com/read/28708853/selective-serotonin-reuptake-inhibitors-and-venlafaxine-in-pregnancy-changes-in-drug-disposition
#7
Andreas Austgulen Westin, Malin Brekke, Espen Molden, Eirik Skogvoll, Olav Spigset
BACKGROUND: Pregnancy may cause changes in drug disposition. The clinical consequences may be profound and even counterintuitive; in some cases pregnant women may need more than twice their usual drug dose in order to maintain therapeutic drug levels. For antidepressants, evidence on drug disposition in pregnancy is scarce. The aim of this study was to determine the effects of pregnancy on serum levels of selective serotonin reuptake inhibitors (SSRIs) and venlafaxine in a large and naturalistic patient material, in order to provide tentative dose recommendations for pregnant women...
2017: PloS One
https://www.readbyqxmd.com/read/28704885/submaximal-markers-of-fatigue-and-overreaching-implications-for-monitoring-athletes
#8
André Siegl, Elisa M Kösel, Nicholas Tam, Susanne Koschnick, Nelleke G Langerak, Sabrina Skorski, Tim Meyer, Robert P Lamberts
The regular monitoring of athletes is important to fine-tune training and detect early symptoms of overreaching. Therefore the aim of this study was to determine if a noninvasive submaximal running test could reflect a state of overreaching. 14 trained runners completed a noninvasive Lamberts Submaximal Running Test, one week before and 2 days after finishing an ultramarathon, and delayed onset of muscle soreness and the daily analysis of life demands for athletes questionnaire were also captured. After the ultramarathon, submaximal heart rate was lower at 70% (-3 beats) and 85% of peak treadmill running speed (P<0...
July 13, 2017: International Journal of Sports Medicine
https://www.readbyqxmd.com/read/28702548/counterintuitive-trends-of-the-wetting-behavior-of-ionic-liquid-based-electrolytes-on-modified-lithium-electrodes
#9
Paulo Schmitz, Martin Kolek, Diddo Diddens, Marian Cristian Stan, Kirsi Jalkanen, Martin Winter, Peter Bieker
The demand for high energy densities has brought rechargeable lithium metal batteries back into the research focus. Ionic liquids (ILs) are considered as suitable electrolyte components for these systems. In this work, the wetting behavior of 1-ethyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide ([C2MIm]TFSI), 1-butyl-3-methylimidazolium bis-((trifluoromethyl)sulfonyl)imide ([C4MIm]TFSI), 1-hexyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide ([C6MIm]TFSI), and N-butyl-N-methylpyrrolidinium bis((trifluoromethyl)sulfonyl)imide (Pyr14TFSI) on mechanically modified lithium electrodes, with and without lithium bis((trifluoromethyl)sulfonyl)imide (LiTFSI) conducting salt, is investigated and is compared to an organic carbonate-based electrolyte...
July 12, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28697639/forgetting-and-emotion-regulation-in-mental-health-anxiety-and-depression
#10
Simon Nørby
Does normal forgetting facilitate mental health and is forgetting impaired in affective disorders? This double-sided question may seem counterintuitive given the fact that forgetting is often associated with troubles in everyday life. However, forgetting does not only have destructive consequences, but also fulfils important functions. I consider the possibility that forgetting may function as a beneficial sorting mechanism which helps healthy people discard information that is undesirable and unpleasant. Thus, selective forgetting of negative memories may be part of emotion regulation, that is, people's attempts to control when and how they experience and express emotions...
July 12, 2017: Memory
https://www.readbyqxmd.com/read/28691065/porous-molecular-solids-and-liquids
#11
REVIEW
Andrew I Cooper
Until recently, porous molecular solids were isolated curiosities with properties that were eclipsed by porous frameworks, such as metal-organic frameworks. Now molecules have emerged as a functional materials platform that can have high levels of porosity, good chemical stability, and, uniquely, solution processability. The lack of intermolecular bonding in these materials has also led to new, counterintuitive states of matter, such as porous liquids. Our ability to design these materials has improved significantly due to advances in computational prediction methods...
June 28, 2017: ACS Central Science
https://www.readbyqxmd.com/read/28689651/frequencies-of-peripheral-immune-cells-in-older-adults-following-seasonal-influenza-vaccination-with-an-adjuvanted-vaccine
#12
David Goldeck, Heidi Theeten, Fakhri Hassouneh, Lilly Oettinger, Kilian Wistuba-Hamprecht, Nathalie Cools, Ourania E Tsitsilonis, Graham Pawelec
As age increases, immune responses and consequently protection following vaccination to seasonal influenza is commonly believed to decrease. Possible drivers of this immune dysfunction include immunosenescence, repeated exposure to the same seasonal influenza antigens, and prior infection with cytomegalovirus (CMV). Here, to determine immune parameters distinguishing vaccine humoral responders (R) from non-responders (NR) following vaccination, we surveyed broad peripheral blood "cellular immune correlates" of older adults vaccinated with Fluad® (an adjuvanted subunit influenza vaccine containing strains H1N1, H3N2 and B)...
July 6, 2017: Vaccine
https://www.readbyqxmd.com/read/28684852/the-normal-environment-delays-the-development-of-multisensory-integration
#13
Jinghong Xu, Liping Yu, Benjamin A Rowland, Barry E Stein
Multisensory neurons in animals whose cross-modal experiences are compromised during early life fail to develop the ability to integrate information across those senses. Consequently, they lack the ability to increase the physiological salience of the events that provide the convergent cross-modal inputs. The present study demonstrates that superior colliculus (SC) neurons in animals whose visual-auditory experience is compromised early in life by noise-rearing can develop visual-auditory multisensory integration capabilities rapidly when periodically exposed to a single set of visual-auditory stimuli in a controlled laboratory paradigm...
July 6, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28679546/untangling-heteroplasmy-structure-and-evolution-of-an-atypical-mitochondrial-genome-by-pacbio-sequencing
#14
Jean Peccoud, Mohamed Amine Chebbi, Alexandre Cormier, Bouziane Moumen, Clément Gilbert, Isabelle Marcadé, Christopher Chandler, Richard Cordaux
The highly compact mitochondrial genome of terrestrial isopods (Oniscidae) presents two unusual features. First, several loci can individually encode two tRNAs, thanks to single-nucleotide polymorphisms at anticodon sites. Within-individual variation (heteroplasmy) at these loci is thought to have been maintained for millions of years because individuals that do not carry all tRNA genes die, resulting in strong balancing selection. Second, the oniscid mtDNA genome comes in two conformations: a ~14kb linear monomer and a ~28kb circular dimer comprising two monomer units fused in palindrome...
July 5, 2017: Genetics
https://www.readbyqxmd.com/read/28673653/not-just-guess-work-tips-for-observation-brainstorming-and-prototyping
#15
Ryan Krone
Much has been written about brainstorming and prototyping in medical devices. These 2 topics are the crucial ingredients to innovation; which, if well seeded by organized and structured forays into each, will net much higher quality and more valuable results. Structure and process, although slightly counterintuitive as applied to brainstorming and prototyping, can greatly improve the value proposition of the innovation itself.
June 2017: Techniques in Vascular and Interventional Radiology
https://www.readbyqxmd.com/read/28662484/high-platelet-count-at-diagnosis-is-a-protective-factor-for-thrombosis-in-patients-with-essential-thrombocythemia
#16
Roberto Latagliata, Marco Montanaro, Michele Cedrone, Ambra Di Veroli, Francesca Spirito, Cristina Santoro, Sabrina Leonetti Crescenzi, Raffaele Porrini, Jonny Di Giandomenico, Nicoletta Villivà, Antonio Spadea, Angela Rago, Cinzia De Gregoris, Atelda Romano, Barbara Anaclerico, Marianna De Muro, Stefano Felici, Massimo Breccia, Enrico Montefusco, Antonino Bagnato, Giuseppe Cimino, Ignazio Majolino, Maria Gabriella Mazzucconi, Giuliana Alimena, Alessandro Andriani
To assess the role of platelet (PLT) count for thrombotic complications in Essential Thrombocythemia (ET), 1201 patients followed in 11 Hematological centers in the Latium region were retrospectively evaluated. At multivariate analysis, the following factors at diagnosis were predictive for a worse Thrombosis-free Survival (TFS): the occurrence of previous thrombotic events (p=0.0004), age>60years (p=0.0044), spleen enlargement (p=0.042) and a lower PLT count (p=0.03). Receiver Operating Characteristic (ROC) analyses based on thrombotic events during follow-up identified a baseline platelet count of 944×10(9)/l as the best predictive threshold: thrombotic events were 40/384 (10...
June 21, 2017: Thrombosis Research
https://www.readbyqxmd.com/read/28661134/magnetic-anisotropy-from-main-group-elements-halides-versus-group-14-elements
#17
Scott C Coste, Bess Vlaisavljevich, Danna E Freedman
Precise modulation of the magnetic anisotropy of a transition-metal center would affect physical properties ranging from photoluminescence to magnetism. Over the past decade, exerting nuanced control over ligand fields enabled the incorporation of significant magnetic anisotropy in a number of mononuclear transition-metal complexes. An alternate approach to increasing spin-orbit coupling relies upon using heavy diamagnetic main-group elements as sources of magnetic anisotropy. Interacting first-row transition metals with main-group elements enables the transfer of magnetic anisotropy to the paramagnetic metal center without restricting coordination geometry...
July 17, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28653838/on-top-pair-density-as-a-measure-of-left-right-correlation-in-bond-breaking
#18
Rebecca K Carlson, Donald G Truhlar, Laura Gagliardi
To better understand left-right electron correlation and the effect of bond breaking on the on-top pair density, analytic expressions for the total density, the on-top pair density, and the ratio of the on-top pair density to the square of the total density were derived for H2 for both a restricted Hartree-Fock wave function and a complete active space self-consistent-field wave function with two electrons in two active orbitals. These quantities are compared for the two wave functions for various points in space around the molecule as functions of internuclear distance...
July 18, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28653153/application-of-benford-s-law-a-valuable-tool-for-detecting-scientific-papers-with-fabricated-data-a%C3%A2-case-study-using-proven-falsified-articles-against-a%C3%A2-comparison-group
#19
REVIEW
S Hüllemann, G Schüpfer, J Mauch
BACKGROUND: In naturally occurring numbers the frequencies of digits 1-9 in the leading position are counterintuitively distributed because the frequencies of occurrence are unequal. Benford-Newcomb's law describes the expected distribution of these frequencies. It was previously shown that known fraudulent articles consistently violated this law. OBJECTIVE: To compare the features of 12 known fraudulent articles from a single Japanese author to the features of 13 articles in the same research field from other Japanese authors, published during the same time period and identified with a Medline database search...
June 26, 2017: Der Anaesthesist
https://www.readbyqxmd.com/read/28646365/post-diagnosis-serum-insulin-like-growth-factors-in-relation-to-dietary-and-lifestyle-changes-in-the-prostate-testing-for-cancer-and-treatment-protect-trial
#20
Vanessa Er, Kalina Biernacka, Andrew J Simpkin, Richard M Martin, Mona Jeffreys, Pauline Emmett, Rebecca Gilbert, Kerry N L Avery, Eleanor Walsh, Michael Davis, Jenny L Donovan, David E Neal, Freddie C Hamdy, Jeff M P Holly, J Athene Lane
PURPOSE: The insulin-like growth factor (IGF) system is modifiable by diet and lifestyle, and has been linked to prostate cancer development and progression. METHODS: We conducted a prospective cohort study of 621 men diagnosed with localized prostate cancer to investigate the associations of dietary and lifestyle changes with post-diagnosis circulating levels of IGF-I and IGFBP-3. We used analysis of covariance to estimate the associations, controlling for baseline IGF-I or IGFBP-3, respectively...
June 23, 2017: Cancer Causes & Control: CCC
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