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https://www.readbyqxmd.com/read/28548848/quantum-mechanical-study-of-the-reaction-mechanism-for-2%C3%AF-2%C3%AF-cycloaddition-of-fluorinated-methylene-groups
#1
Andrew R Motz, Andrew M Herring, Shubham Vyas, C Mark Maupin
Perfluorocyclobutyl polymers are thermally and chemically stable, may be produced without a catalyst via thermal 2π-2π cycloaddition, and can form block structures making them suitable for commercialization of specialty polymers. Thermal 2π-2π cycloaddition is a rare reaction that starts in the singlet state and proceeds through a triplet intermediate forming an energetically stable 4 membered ring in the singlet state. This reaction involves two changes in spin state and thus two spin-crossover transitions...
May 26, 2017: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/28548514/velocity-distribution-of-a-homogeneously-driven-two-dimensional-granular-gas
#2
Christian Scholz, Thorsten Pöschel
The theory of homogeneously driven granular gases of hard particles predicts that the stationary state is characterized by a velocity distribution function with overpopulated high-energy tails as compared to the exponential decay valid for molecular gases. While this fundamental theoretical result was confirmed by numerous numerical simulations, an experimental confirmation is still missing. Using self-rotating active granular particles, we find a power-law decay of the velocity distribution whose exponent agrees well with the theoretic prediction...
May 12, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28547292/physiological-implications-of-ocean-acidification-for-marine-fish-emerging-patterns-and-new-insights
#3
REVIEW
Andrew J Esbaugh
Ocean acidification (OA) is an impending environmental stress facing all marine life, and as such has been a topic of intense research interest in recent years. Numerous detrimental effects have been documented in marine fish, ranging from reduced mortality to neurosensory impairment, and the prevailing opinions state that these effects are largely the downstream consequences of altered blood carbon dioxide chemistry caused by respiratory acid-base disturbances. While the respiratory acid-base disturbances are consistent responses to OA across tested fish species, it is becoming increasingly clear that there is wide variability in the degree of downstream impairments between species...
May 25, 2017: Journal of Comparative Physiology. B, Biochemical, Systemic, and Environmental Physiology
https://www.readbyqxmd.com/read/28546307/the-right-lateral-cerebellum-represents-linguistic-predictability
#4
Elise Lesage, Peter C Hansen, R Chris Miall
Mounting evidence indicates that posterolateral portions of the cerebellum (right Crus I/II) contribute to language processing, but the nature of this role remains unclear. Based on a well-supported theory of cerebellar motor function, which ascribes to the cerebellum a role in short-term prediction through internal modeling, we hypothesize that right cerebellar Crus I/II supports prediction of upcoming sentence content.We tested this hypothesis using event-related fMRI in human subjects by manipulating the predictability of written sentences...
May 25, 2017: Journal of Neuroscience: the Official Journal of the Society for Neuroscience
https://www.readbyqxmd.com/read/28545535/electronic-audit-and-feedback-intervention-with-action-implementation-toolbox-to-improve-pain-management-in-intensive-care-protocol-for-a-laboratory-experiment-and-cluster-randomised-trial
#5
Wouter T Gude, Marie-José Roos-Blom, Sabine N van der Veer, Evert de Jonge, Niels Peek, Dave A Dongelmans, Nicolette F de Keizer
BACKGROUND: Audit and feedback is often used as a strategy to improve quality of care, however, its effects are variable and often marginal. In order to learn how to design and deliver effective feedback, we need to understand their mechanisms of action. This theory-informed study will investigate how electronic audit and feedback affects improvement intentions (i.e. information-intention gap), and whether an action implementation toolbox with suggested actions and materials helps translating those intentions into action (i...
May 25, 2017: Implementation Science: IS
https://www.readbyqxmd.com/read/28545508/open-label-versus-double-blind-placebo-treatment-in-irritable-bowel-syndrome-study-protocol-for-a-randomized-controlled-trial
#6
Sarah Ballou, Ted J Kaptchuk, William Hirsch, Judy Nee, Johanna Iturrino, Kathryn T Hall, John M Kelley, Vivian Cheng, Irving Kirsch, Eric Jacobson, Lisa Conboy, Anthony Lembo, Roger B Davis
BACKGROUND: Placebo medications, by definition, are composed of inactive ingredients that have no physiological effect on symptoms. Nonetheless, administration of placebo in randomized controlled trials (RCTs) and in clinical settings has been demonstrated to have significant impact on many physical and psychological complaints. Until recently, conventional wisdom has suggested that patients must believe that placebo pills actually contain (or, at least, might possibly contain) active medication in order to elicit a response to placebo...
May 25, 2017: Trials
https://www.readbyqxmd.com/read/28545500/strengthening-capacity-to-research-the-social-determinants-of-health-in-low-and-middle-income-countries-lessons-from-the-intrec-programme
#7
Nicholas Henschke, Anna Mirny, Joke A Haafkens, Heribert Ramroth, Siwi Padmawati, Martin Bangha, Lisa Berkman, Laksono Trisnantoro, Yulia Blomstedt, Heiko Becher, Osman Sankoh, Peter Byass, John Kinsman
BACKGROUND: The INDEPTH Training & Research Centres of Excellence (INTREC) collaboration developed a training programme to strengthen social determinants of health (SDH) research in low- and middle-income countries (LMICs). It was piloted among health- and demographic researchers from 9 countries in Africa and Asia. The programme followed a blended learning approach and was split into three consecutive teaching blocks over a 12-month period: 1) an online course of 7 video lectures and assignments on the theory of SDH research; 2) a 2-week qualitative and quantitative methods workshop; and 3) a 1-week data analysis workshop...
May 25, 2017: BMC Public Health
https://www.readbyqxmd.com/read/28545493/three-approaches-to-glucose-monitoring-in-non-insulin-treated-diabetes-a-pragmatic-randomized-clinical-trial-protocol
#8
Laura A Young, John B Buse, Mark A Weaver, Maihan B Vu, April Reese, C Madeline Mitchell, Tamara Blakeney, Kimberlea Grimm, Jennifer Rees, Katrina E Donahue
BACKGROUND: For the nearly 75% of patients living with type 2 diabetes (T2DM) that do not use insulin, decisions regarding self-monitoring of blood glucose (SMBG) can be especially problematic. While in theory SMBG holds great promise for sparking favorable behavior change, it is a resource intensive activity without firmly established patient benefits. This study describes our study protocol to assess the impact of three different SMBG testing approaches on patient-centered outcomes in patients with non-insulin treated T2DM within a community-based, clinic setting...
May 25, 2017: BMC Health Services Research
https://www.readbyqxmd.com/read/28544847/theoretical-determination-of-band-edge-alignments-at-the-water-cuins2-112-semiconductor-interface
#9
Thomas P Senftle, Emily A Carter
Knowledge of a semiconductor electrode's band edge alignment is essential for optimizing processes that occur at the semiconductor/electrolyte interface. Photocatalytic processes are particularly sensitive to such alignments, as they govern the transfer of photo-excited electrons or holes from the surface to reactants in the electrolyte solution. Reconstructions of a semiconductor surface during operation, as well as its interaction with the electrolyte solution, must be considered when determining band edge alignment...
May 25, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28543829/what-challenges-do-nonprofit-hospitals-face-in-taking-on-community-health-needs-assessments-a-qualitative-study-from-appalachian-ohio
#10
Daniel Skinner, Berkeley Franz, Kelly Kelleher
PURPOSE: The purpose of this study is to understand the experiences of Appalachian hospitals in undertaking Community Health Needs Assessments (CHNAs). Of particular interest is whether new requirements to undertake regular evaluation and public health programming pose challenges for rural, Appalachian hospitals. METHODS: Using a sample of nonprofit hospitals in Appalachian Ohio, we conducted in-depth qualitative interviews with hospital administrators overseeing community benefit activities and external consultants hired to complete assessments...
May 24, 2017: Journal of Rural Health
https://www.readbyqxmd.com/read/28543630/preliminary-validation-of-the-perceived-locus-of-causality-scale-for-academic-motivation-in-the-context-of-university-studies-ploc-u
#11
Manuel Sánchez de Miguel, Izarne Lizaso, Daniel Hermosilla, Carlos-Maria Alcover, Marios Goudas, Enrique Arranz-Freijó
BACKGROUND: Research has shown that self-determination theory can be useful in the study of motivation in sport and other forms of physical activity. The Perceived Locus of Causality (PLOC) scale was originally designed to study both. AIM: The current research presents and validates the new PLOC-U scale to measure academic motivation in the university context. We tested levels of self-determination before and after academic examinations. Also, we analysed degree of internalization of extrinsic motivation in students' practical activities...
May 25, 2017: British Journal of Educational Psychology
https://www.readbyqxmd.com/read/28542549/a-new-weighting-factor-in-combining-belief-function
#12
Deyun Zhou, Qian Pan, Gyan Chhipi-Shrestha, Xiaoyang Li, Kun Zhang, Kasun Hewage, Rehan Sadiq
Dempster-Shafer evidence theory has been widely used in various applications. However, to solve the problem of counter-intuitive outcomes by using classical Dempster-Shafer combination rule is still an open issue while fusing the conflicting evidences. Many approaches based on discounted evidence and weighted average evidence have been investigated and have made significant improvements. Nevertheless, all of these approaches have inherent flaws. In this paper, a new weighting factor is proposed to address this problem...
2017: PloS One
https://www.readbyqxmd.com/read/28542320/the-ik1-kir2-1-channel-agonist-zacopride-prevents-and-cures-acute-ischemic-arrhythmias-in-the-rat
#13
Xu-Wen Zhai, Li Zhang, Yun-Fei Guo, Ying Yang, Dong-Ming Wang, Yan Zhang, Pan Li, Yi-Fan Niu, Qi-Long Feng, Bo-Wei Wu, Ji-Min Cao, Qing-Hua Liu
Arrhythmogenesis in acute myocardial infarction (MI) is associated with depolarization of resting membraine potential (RMP) and decrease of inward rectifier potassium current (IK1) in cardiomyocytes. However, clinical anti-arrhythmic agents that primarily act on RMP by enhancing the IK1 channel are not currently available. We hypothesized that zacopride, a selective and moderate agonist of the IK1/Kir2.1 channels, prevents and cures acute ischemic arrhythmias. To test this viewpoint, adult Sprague-Dawley (SD) rats were subjected to MI by ligating the left main coronary artery...
2017: PloS One
https://www.readbyqxmd.com/read/28542280/analysing-human-mobility-patterns-of-hiking-activities-through-complex-network-theory
#14
Isaac Lera, Toni Pérez, Carlos Guerrero, Víctor M Eguíluz, Carlos Juiz
The exploitation of high volume of geolocalized data from social sport tracking applications of outdoor activities can be useful for natural resource planning and to understand the human mobility patterns during leisure activities. This geolocalized data represents the selection of hike activities according to subjective and objective factors such as personal goals, personal abilities, trail conditions or weather conditions. In our approach, human mobility patterns are analysed from trajectories which are generated by hikers...
2017: PloS One
https://www.readbyqxmd.com/read/28542167/corticosterone-oscillations-during-mania-induction-in-the-lateral-hypothalamic-kindled-rat-experimental-observations-and-mathematical-modeling
#15
Osama A Abulseoud, Man Choi Ho, Doo-Sup Choi, Ana Stanojević, Željko Čupić, Ljiljana Kolar-Anić, Vladana Vukojević
Changes in the hypothalamic-pituitary-adrenal (HPA) axis activity constitute a key component of bipolar mania, but the extent and nature of these alterations are not fully understood. We use here the lateral hypothalamic-kindled (LHK) rat model to deliberately induce an acute manic-like episode and measure serum corticosterone concentrations to assess changes in HPA axis activity. A mathematical model is developed to succinctly describe the entwined biochemical transformations that underlay the HPA axis and emulate by numerical simulations the considerable increase in serum corticosterone concentration induced by LHK...
2017: PloS One
https://www.readbyqxmd.com/read/28541686/general-oriented-formation-of-carbon-nanotubes-from-metal-organic-frameworks
#16
Jiashen Meng, Chaojiang Niu, Linhan Xu, Jiantao Li, Xiong Liu, Xuanpeng Wang, Yuzhu Wu, Xiaoming Xu, Wenyi Chen, Qi Li, Zi-Zhong Zhu, Dongyuan Zhao, Liqiang Mai
Carbon nanotubes (CNTs) are of great interest for many potential applications because of their extraordinary electronic, mechanical and structural properties. However, issues of chaotic staking, high cost and high energy dissipation in the synthesis of CNTs remain to be resolved. Here we develop a facile, general and high-yield strategy for the oriented formation of CNTs from metal-organic frameworks (MOFs) through a low-temperature (as low as 430 °C) pyrolysis process. The selected MOF crystals act as a single precursor for both nanocatalysts and carbon sources...
May 25, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28541673/fenton-s-reagent-catalysed-release-of-carbon-monooxide-from-1-3-dihydroxy-acetone
#17
Tumpa Sadhukhan, Dharitri Das, Pratik Kalekar, Vidya Avasare, Sourav Pal
Triose sugar, 1,3-Dihydroxy acetone (DHA) on treatment with Fenton's reagent releases CO under physiological conditions. The release of CO has been demonstrated by myoglobin assay and quantum chemical studies. The mechanistic study has been carried out using B3LYP/6-311++G(d,p), M06-2X/6-311++G(d,p) and CCSD(T)//M06-2X/6-311++G(d,p) level of theories in aqueous medium with dielectric constant of 78.39 by employing polarized continuum model (PCM). The theoretical investigation shows that DHA breaks down completely into two equivalents of CO, one equivalent of CO2 and six equivalents of H2O without formation of toxic metabolites...
May 25, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28541656/charge-transfer-and-orbital-level-alignment-at-inorganic-organic-interfaces-the-role-of-dielectric-interlayers
#18
Michael Hollerer, Daniel Lüftner, Philipp Hurdax, Thomas Ules, Serguei Soubatch, Frank Stefan Tautz, Georg Koller, Peter Puschnig, Martin Sterrer, Michael G Ramsey
It is becoming accepted that ultra-thin dielectric layers on metals are not merely passive decoupling layers, but can actively influence orbital energy level alignment and charge transfer at interfaces. As such, they can be important in applications ranging from catalysis to organic electronics. However, the details at the molecular level are still under debate. In this study, we present a comprehensive analysis of the phenomenon of charge transfer promoted by a dielectric interlayer with a comparative study of pentacene adsorbed on Ag(001) with and without an ultra-thin MgO interlayer...
May 25, 2017: ACS Nano
https://www.readbyqxmd.com/read/28539904/the-neural-systems-of-forgiveness-an-evolutionary-psychological-perspective
#19
REVIEW
Joseph Billingsley, Elizabeth A R Losin
Evolution-minded researchers posit that the suite of human cognitive adaptations may include forgiveness systems. According to these researchers, forgiveness systems regulate interpersonal motivation toward a transgressor in the wake of harm by weighing multiple factors that influence both the potential gains of future interaction with the transgressor and the likelihood of future harm. Although behavioral research generally supports this evolutionary model of forgiveness, the model's claims have not been examined with available neuroscience specifically in mind, nor has recent neuroscientific research on forgiveness generally considered the evolutionary literature...
2017: Frontiers in Psychology
https://www.readbyqxmd.com/read/28539892/the-cross-education-phenomenon-brain-and-beyond
#20
Ashlee M Hendy, Séverine Lamon
Objectives: Unilateral resistance training produces strength gains in the untrained homologous muscle group, an effect termed "cross-education." The observed strength transfer has traditionally been considered a phenomenon of the nervous system, with few studies examining the contribution of factors beyond the brain and spinal cord. In this hypothesis and theory article, we aim to discuss further evidence for structural and functional adaptations occurring within the nervous, muscle, and endocrine systems in response to unilateral resistance training...
2017: Frontiers in Physiology
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