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Activation theory

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https://www.readbyqxmd.com/read/29149075/a-game-theoretic-approach-for-balancing-energy-consumption-in-clustered-wireless-sensor-networks
#1
Liu Yang, Yinzhi Lu, Lian Xiong, Yang Tao, Yuanchang Zhong
Clustering is an effective topology control method in wireless sensor networks (WSNs), since it can enhance the network lifetime and scalability. To prolong the network lifetime in clustered WSNs, an efficient cluster head (CH) optimization policy is essential to distribute the energy among sensor nodes. Recently, game theory has been introduced to model clustering. Each sensor node is considered as a rational and selfish player which will play a clustering game with an equilibrium strategy. Then it decides whether to act as the CH according to this strategy for a tradeoff between providing required services and energy conservation...
November 17, 2017: Sensors
https://www.readbyqxmd.com/read/29148555/enhanced-electrochemical-water-oxidation-the-impact-of-nanoclusters-and-nanocavities
#2
Xueqing Zhang, Chonglong Cao, Anja Bieberle-Hütter
The structures of transition metal surfaces and metal oxides are commonly believed to have a significant effect on the catalytic reactions. Density functional theory calculations are therefore used in this study to investigate the oxygen evolution reaction (OER) over nanostructured, i.e. nanocluster and nanocavity, surfaces of hematite (Fe2O3). The calculated results demonstrate an optimum nanocluster size with respect to the OER overpotential. The presence of nanoclusters on the electrode is regarded as an attractive strategy for increasing the activity in photoelectrochemical water splitting...
November 17, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29148114/on-the-character-and-production-of-active-participation-in-neuro-rehabilitation-an-actor-network-perspective
#3
Simon Horton, Kathryn Mares, Neil Coull, Fiona Poland
The importance of patients' active involvement in neuro-rehabilitation after acquired brain injury has been consistently emphasised in recent years. However, most approaches fail to show how 'active participation' is practically enacted, focusing on individualised explanations of patient choice and behaviours, or notions of inherent patient traits. Using actor-network theory (ANT) as a sensitising concept, we investigated neuro-rehabilitation practices, asking how participation is shaped through biological and socio-material specificities, how rights to knowledge and expertise are constructed, and how a body acclimatises and adjusts within an order of participation and transformation...
November 2017: Sociology of Health & Illness
https://www.readbyqxmd.com/read/29147858/community-interventions-to-increase-stroke-preparedness-and-acute-stroke-treatment-rates
#4
REVIEW
Kathleen M Kelly, Kathryn T Holt, Gina M Neshewat, Lesli E Skolarus
PURPOSE OF REVIEW: Acute stroke treatments reduce the risk of post-stroke disability. These treatments, tissue plasminogen activator (tPA) and intra-arterial treatment, are highly time-dependent; thus, one of the main barriers to treatment is pre-hospital delay. Stroke preparedness is defined as the ability to recognize stroke symptoms and the intent to activate emergency medical services (EMS). This review describes types of acute stroke treatment and preparedness interventions, including recent mass media interventions to increase acute stroke treatment rates, and adult and youth community interventions to increase stroke preparedness...
November 16, 2017: Current Atherosclerosis Reports
https://www.readbyqxmd.com/read/29146665/the-relative-effect-of-team-based-learning-on-motivation-and-learning-a-self-determination-theory-perspective
#5
Lucas M Jeno, Arild Raaheim, Sara Madeleine Kristensen, Kjell Daniel Kristensen, Torstein Nielsen Hole, Mildrid J Haugland, Silje Mæland
We investigate the effects of team-based learning (TBL) on motivation and learning in a quasi-experimental study. The study employs a self-determination theory perspective to investigate the motivational effects of implementing TBL in a physiotherapy course in higher education. We adopted a one-group pretest-posttest design. The results show that the students' intrinsic motivation, identified regulation, perceived competence, and perceived autonomy support significantly increased going from lectures to TBL...
2017: CBE Life Sciences Education
https://www.readbyqxmd.com/read/29146175/autobiographical-memory-sources-of-threats-in-dreams
#6
Alexandre Lafrenière, Monique Lortie-Lussier, Allyson Dale, Raphaëlle Robidoux, Joseph De Koninck
Temporal sources of dream threats were examined through the paradigm of the Threat Simulation Theory. Two groups of young adults (18-24 years old), who did not experience severe threatening events in the year preceding their dream and reported a dream either with or without threats, were included. Participants (N = 119) kept a log of daily activities and a dream diary, indicating whether dream components referred to past experiences. The occurrence of oneiric threats correlated with the reporting of threats in the daily logs, their average severity, and the stress level experienced the day preceding the dream...
November 13, 2017: Consciousness and Cognition
https://www.readbyqxmd.com/read/29145730/screening-and-evaluation-of-antioxidant-activity-of-some-1-2-4-triazolo-1-5-a-quinazoline-derivatives
#7
Rashad Al-Salahi, El-Hassane Anouar, Mohamed Marzouk, Hanan Aa Taie, Hatem A Abuelizz
AIM: The present study was carried out to assess a new series of triazoloquinazolines 1-40 for their antioxidant activities using 1,1-diphenyl-2-picryl hydrazyl radical scavenging, ferric reduction antioxidant power and reducing power capability assays. RESULTS: All triazoloquinazolines 1-40 exhibited antioxidant activity ranged from weak to moderate and high. The obtained findings revealed that the triazoloquinazolines 30, 36 and 38-40 have superiority among all compounds, demonstrating the highest capacity to deplete 1,1-diphenyl-2-picryl hydrazyl and free radicals, in relation to butylated hydroxyl toluene, as a synthetic antioxidant agent...
November 17, 2017: Future Medicinal Chemistry
https://www.readbyqxmd.com/read/29145059/binding-of-naringin-and-naringenin-with-hen-egg-white-lysozyme-a-spectroscopic-investigation-and-molecular-docking-study
#8
Sourav Das, Pooja Ghosh, Sudipta Koley, Atanu Singha Roy
The interactions of naringenin (NG) and naringin (NR) with Hen Egg White Lysozyme (HEWL) in aqueous medium have been investigated using UV-vis spectroscopy, steady-state fluorescence, circular dichroism (CD), Fourier Transform infrared spectroscopy (FT-IR) and molecular docking analyses. Both NG and NR can quench the intrinsic fluorescence of HEWL via static quenching mechanism. At 300K, the value of binding constant (Kb) of HEWL-NG complex (5.596±0.063×10(4)M(-1)) was found to be greater than that of HEWL-NR complex (3...
November 8, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29144758/on-the-density-dependence-of-the-integral-equation-coarse-graining-effective-potential
#9
Mohammadhasan Dinpajooh, Marina Giuseppina Guenza
Coarse-graining (CG) procedures provide computationally efficient methods for investigating the corresponding long time- and length-scale processes. In the bottom-up approaches, the effective interactions between the CG sites is obtained using the information from the atomistic simulations, but reliable CG procedures are required to preserve the structure and thermodynamics. In this regard, the integral equation coarse-graining (IECG) method is a promising approach that uses the first-principles Ornstein-Zernike equation in liquid state theory to determine the effective potential between CG sites...
November 16, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/29144744/partially-oxidized-sns2-atomic-layers-achieving-efficient-visible-light-driven-co2-reduction
#10
Xingchen Jiao, Xiaodong Li, Xiuyu Jin, Yongfu Sun, Jiaqi Xu, Liang Liang, Huanxin Ju, Junfa Zhu, Yang Pan, Wensheng Yan, Yue Lin, Yi Xie
Unraveling the role of surface oxide on affecting its native metal disulfide' CO2 photoreduction remains a grand challenge. Herein, we initially construct metal disulfide atomic layers and hence deliberately create oxidized domains on their surfaces. As an example, SnS2 atomic layers with different oxidation degrees are successfully synthesized. In situ FTIR spectra disclose the COOH* radical is the main intermediate, while density-functional-theory calculations reveal the COOH* formation is the rate-limiting step...
November 16, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/29144281/preparation-of-rh-ag-bimetallic-nanoparticles-as-effective-catalyst-for-hydrogen-generation-from-hydrolysis-of-kbh4
#11
Liang Huang, Chengpeng Jiao, Liqiong Wang, Zili Huang, Feng Liang, Simin Liu, Yuhua Wang, Haijun Zhang, Shaowei Zhang
ISOBAM-104 protected Rh/Ag bimetallic nanoparticles (NPs) with average diameter less than 3.0 nm were synthesized by a co-reduction method. Ultraviolet-visible (UV-Vis) spectroscopy, transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM) and x-ray photoelectron spectroscopy (XPS) were employed to characterize the structure, particle size, and electronic structure of the prepared bimetallic NPs. The catalytic activities of prepared bimetallic NPs for hydrogen generation from hydrolysis of a basic KBH4 solution were evaluated in detail...
November 16, 2017: Nanotechnology
https://www.readbyqxmd.com/read/29144126/highly-active-carbene-potassium-complexes-for-the-ring-opening-polymerization-of-%C3%AE%C2%B5-caprolactone
#12
Mrinal Bhunia, Gonela Vijaykumar, Debashis Adhikari, Swadhin K Mandal
Herein we report the synthesis of two complexes of potassium employing strongly nucleophilic carbenes, such as cyclic "(alkyl)(amino)carbene (cAAC) and abnormal N-heterocyclic carbene (aNHC). Both complexes are dimeric in the solid state and the two potassium centers are bridged by trimethylsilylamide. In these complexes, the carbene- - -K interaction is predominantly electrostatic in character, which has been probed thoroughly by NBO and AIM analyses. Indeed, the delocalization energy of the cAAC lone pair calculated from the second-order perturbation theory was only 5...
November 16, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/29143527/origins-of-enantioselectivity-in-asymmetric-radical-additions-to-octahedral-chiral-at-rhodium-enolates-a-computational-study
#13
Shuming Chen, Xiaoqiang Huang, Eric Meggers, Kendall N Houk
The origin of asymmetric induction in the additions of carbon- and nitrogen-centered radicals to octahedral centrochiral rhodium enolates has been investigated with Density Functional Theory (DFT) calculations. Computed free energies of activation reproduce the preference for the experimentally observed major enantiomer. Good levels of enantioselectivity are maintained upon replacement of the bulky tert-butyl substituents on the ligands with methyl groups. Distortion-interaction analysis indicates that for both carbon-and nitrogen-centered radicals, which have relatively early and late transition states, respectively, the difference in the distortion energies controls the enantioselectivity...
November 16, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/29143237/john-henryism-gender-and-self-reported-health-among-roma-gypsies-in-serbia
#14
Jelena Čvorović, Sherman A James
We describe how self-reported health (SRH) varies with gender and John Henryism (a strong behavioral predisposition to engage in high-effort coping to overcome adversity) in a low income sample of Serbian Roma. Data were collected in 2016 in several Roma settlements around Belgrade, Serbia. The sample consisted of 90 men and 112 women. In addition to John Henryism (JH), measured by a Serbian version of the John Henryism Scale, demographic data and data on SRH and family relationships dynamics were collected...
November 15, 2017: Culture, Medicine and Psychiatry
https://www.readbyqxmd.com/read/29142427/cinnamaldehyde-cinnamic-acid-and-cinnamyl-alcohol-the-bioactives-of-cinnamomum-cassia-exhibit-hdac8-inhibitory-activity-an-in-vitro-and-in-silico-study
#15
Mangesh Patil, Amit S Choudhari, Savita Pandita, Md Ataul Islam, Prerna Raina, Ruchika Kaul-Ghanekar
Background: The altered expression of histone deacetylase family member 8 (HDAC8) has been found to be linked with various cancers, thereby making its selective inhibition a potential strategy in cancer therapy. Recently, plant secondary metabolites, particularly phenolic compounds, have been shown to possess HDAC inhibitory activity. Objective: In the present work, we have evaluated the potential of cinnamaldehyde (CAL), cinnamic acid (CA), and cinnamyl alcohol (CALC) (bioactives of Cinnamomum) as well as aqueous cinnamon extract (ACE), to inhibit HDAC8 activity in vitro and in silico...
October 2017: Pharmacognosy Magazine
https://www.readbyqxmd.com/read/29141436/surface-hopping-dynamics-including-intersystem-crossing-using-the-algebraic-diagrammatic-construction-method
#16
Sebastian Mai, Felix Plasser, Mathias Pabst, Frank Neese, Andreas Köhn, Leticia González
We report an implementation for employing the algebraic diagrammatic construction to second order [ADC(2)] ab initio electronic structure level of theory in nonadiabatic dynamics simulations in the framework of the SHARC (surface hopping including arbitrary couplings) dynamics method. The implementation is intended to enable computationally efficient, reliable, and easy-to-use nonadiabatic dynamics simulations of intersystem crossing in organic molecules. The methodology is evaluated for the 2-thiouracil molecule...
November 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29141115/activation-of-dinitrogen-n2-with-a-superalkali-species-li3f2
#17
Heejune Park, Giovanni Meloni
The capability of the superalkali Li_3 F_2 to activate dinitrogen (N_2) is presented. The (Li_3 F_2 )_n N_2 clusters (n = 1 - 6) were investigated first at the MP2/6-311+G(3d2f,2df,2p)//B3LYP/6-311G(2d,d,p) level of theory. Clusters up to n = 4 were also optimized through the CBS-QB3 composite model. The complete dissociation of N_2 was confirmed through visualized molecular orbitals and bond order calculation. The N-N bond is weakened by the addition of Li_3 F_2 superalkali units. The enthalpy of atomization (Δ_at H_0^°) and formation (Δ_f H_0^°), charge flows (∆q), binding energies, and the energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) are calculated to help explaining the N_2 activation...
November 15, 2017: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
https://www.readbyqxmd.com/read/29140919/collaboration-and-teamwork-in-the-health-professions-rethinking-the-role-of-conflict
#18
Quentin Eichbaum
Whereas the business professions have long recognized that conflict can be a source of learning and innovation, the health professions still tend to view conflict negatively as being disruptive, inefficient, and unprofessional. As a consequence, the health professions tend to avoid conflict or resolve it quickly. This neglect to appreciate conflict's positive attributes appears to be driven in part by (1) individuals' fears about being negatively perceived and the potential negative consequences in an organization of being implicated in conflict, (2) constrained views and approaches to professionalism and to evaluation and assessment, and (3) lingering autocracies and hierarchies of power that view conflict as a disruptive threat...
November 14, 2017: Academic Medicine: Journal of the Association of American Medical Colleges
https://www.readbyqxmd.com/read/29140846/punishment-eliminates-directed-forgetting-an-event-related-potential-study
#19
Zhi Ren, Xia Zou, Chuzhi You, Junlong Luo, Wei Liu
This study investigated motivational effect of reward and punishment on directed forgetting using the event-related potential technique. Participants were instructed to encode two-character words in Chinese, followed by the indicator of 'remember' or 'forget'. Then, participants were required accomplishing the judgment task of old and new words. The results suggest that (i) directed forgetting effect is significant in the punishment condition but not in the reward condition, and (ii) a positive amplitude is induced in the punishment condition but not in the reward condition...
November 14, 2017: Neuroreport
https://www.readbyqxmd.com/read/29140700/high-pressure-behavior-of-silver-fluorides-up-to-40-gpa
#20
Adam Grzelak, Jakub Gawraczyński, Tomasz Jaroń, Dominik Kurzydłowski, Armand Budzianowski, Zoran Mazej, Piotr J Leszczyński, Vitali B Prakapenka, Mariana Derzsi, Viktor V Struzhkin, Wojciech Grochala
A combined experimental-theoretical study of silver(I) and silver(II) fluorides under high pressure is reported. For Ag(I), the CsCl-type structure is stable to at least 39 GPa; the overtone of the IR-active mode is seen in the Raman spectrum. Its Ag(II)F2 sibling is a unique compound in many ways: it is more covalent than other known difluorides, crystallizes in a layered structure, and is enormously reactive. Using X-ray diffraction and guided by theoretical calculations (density functional theory), we have been able to elucidate crystal structures of high-pressure polymorphs of AgF2...
November 15, 2017: Inorganic Chemistry
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