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https://www.readbyqxmd.com/read/30517908/cortical-excitability-affects-mood-state-in-patients-with-idiopathic-generalized-epilepsies-iges
#1
Lauren B Bolden, Joseph C Griffis, Rodolphe Nenert, Jane B Allendorfer, Jerzy P Szaflarski
Previously, we demonstrated an association between cortical hyperexcitability and mood disturbance in healthy adults. Studies have documented hyperexcitability in patients with idiopathic generalized epilepsies (IGEs; long-interval intracortical inhibition [LICI]) and high prevalence of mood comorbidities. This study aimed to investigate the influences of cortical excitability and seizure control on mood state in patients with IGEs. Single and paired-pulse transcranial magnetic stimulation (TMS) was applied to 30 patients with IGEs (16 controlled IGEs [cIGEs], 14 with treatment-resistant IGEs [trIGEs]), and 22 healthy controls (HCs) to assess cortical excitability with LICI...
December 2, 2018: Epilepsy & Behavior: E&B
https://www.readbyqxmd.com/read/30517289/representations-of-resident-professionals-regarding-the-pedagogical-strategies-used-in-the-multiprofessional-residency-training-process
#2
Lucas Dias Soares Machado, Ana Carolina Ribeiro Tamboril, Maria de Fátima Antero Sousa Machado, Evanira Rodrigues Maia, Maria do Socorro Vieira Lopes
OBJECTIVE: To evaluate the social representations of residents regarding the pedagogical strategies of a Multiprofessional Health Residency program. METHOD: A case study with a qualitative approach supported by the Theory of Social Representations. Data collection was performed by applying a questionnaire to the resident professionals. ALCESTE software was used for the lexical content analysis. RESULTS: Questionnaires were applied to 15 resident professionals...
November 29, 2018: Revista da Escola de Enfermagem da U S P
https://www.readbyqxmd.com/read/30517268/effects-of-cochlear-implantation-on-adulthood
#3
Sheila de Souza Vieira, Giselle Dupas, Brasilia Maria Chiari
PURPOSE: To understand the benefits of cochlear implantation in adulthood under the perspective of users. METHODS: Qualitative study using Symbolic Interactionism and Straussian Grounded Theory as theoretical and methodological frameworks, respectively. The project was approved by the Research Ethics Committee of the aforementioned Institution (Opinion no. 482,019). Sixteen adult cochlear implant (CI) users aged 28-58 years participated in the study. The data collection instrument was a semi-structured interview with questions about changes caused by CI in the social relations, communication, family system, and personal, academic and professional spheres of life of users...
November 29, 2018: CoDAS
https://www.readbyqxmd.com/read/30517015/imaging-the-optical-fields-of-functionalized-silver-nanowires-through-molecular-ters
#4
Ashish Bhattarai, Kevin Thomas Crampton, Alan G Joly, Libor Kovarik, Wayne P Hess, Patrick Z El-Khoury
We image 4-mercaptobenzonitrile-functionalized silver nanowires (~20 nm diameter) through tip-enhanced Raman scattering (TERS). The enhanced local optical field-molecular interactions that govern the recorded hyperspectral TERS images are dissected through hybrid finite-difference time-domain-density functional theory simulations. Our forward simulations illustrate that the recorded spatio-spectral profiles of the chemically functionalized nanowires may be reproduced by accounting for the interaction between orientationally averaged molecular polarizability derivative tensors and enhanced incident/scattered local fields polarized along the tip axis...
December 5, 2018: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/30516991/thermodynamic-analysis-of-n-hexane-ethanol-binary-mixtures-using-kirkwood-buff-theory
#5
Panagiotis C Petris, Stefanos D Anogiannakis, Panagiotis-Nikolaos Tzounis, Doros N Theodorou
A complete thermodynamic analysis of mixtures consisting of molecules with complex chemical constitution can be rather demanding. Kirkwood-Buff theory of solutions allows the estimation of thermodynamic properties which cannot be directly extracted from atomistic simulations, such as the Gibbs energy of mixing (Δmix G). In this work we perform molecular dynamics simulations of n-hexane/ethanol binary mixtures in the liquid state under two temperature-pressure conditions and at various mole fractions. Based on the recently published methodology of Galata et al...
December 5, 2018: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/30516768/interfacial-structure-and-electrochemical-stability-of-electrolytes-methylene-methanedisulfonate-as-an-additive
#6
Yamin Wang, Xiaoying Yu, Yingchun Liu, Qi Wang
The mechanism responsible for widening the electrochemical stability window of methylene methanedisulfonate (MMDS)-containing electrolytes compared to conventional carbonate electrolytes is suggested based on molecular dynamics (MD) simulations and density functional theory (DFT) calculations. We find that MMDS has a stronger reduction ability and higher affinity for the electrode surface than solvents, and these behaviors provide an important condition for priority decomposition of the additive. The addition of MMDS could reduce the probability of finding solvent-ion complexes at the electrolyte-electrode interface, which is especially beneficial for the stability of the solvent electrochemical window...
December 5, 2018: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/30516380/hydrogen-activation-by-silica-supported-metal-ion-catalysts-catalytic-properties-of-metals-and-performance-of-dft-functionals
#7
Cesar Plascencia, Larry A Curtiss, Cong Liu
Single-site heterogeneous catalysts (SSHC) have received increasing attention due to their well-defined active sites and potentially high specific activity. Detailed computational studies were carried out on a set of potential SSHC's i.e., silica supported metal ions, to investigate the reactivity of these catalysts with H2 as well as to evaluate the performance of density functional theory (DFT) methods in conjunction with triple-ζ quality basis sets (i.e., cc-pVTZ) on reaction energetics. The ions considered include 4d and 5d metals as well as several post-transition metal ions...
December 5, 2018: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/30516274/multiple-drivers-of-contrasting-diversity-invasibility-relationships-at-fine-spatial-grains
#8
Nicola S Smith, Isabelle M Côté
The diversity-invasibility hypothesis and ecological theory predict that high-diversity communities should be less easily invaded than species-poor communities, but empirical evidence does not consistently support this prediction. While fine-scale experiments tend to yield the predicted negative association between diversity and invasibility, broad-scale observational surveys generally report a positive correlation. This conflicting pattern between experiments and observational studies is referred to as the invasion paradox, and is thought to arise because different processes control species composition at different spatial scales...
December 5, 2018: Ecology
https://www.readbyqxmd.com/read/30516179/reaction-of-phenol-with-singlet-oxygen
#9
Jomana Al-Nu'airat, Bogdan Z Dlugogorski, Xiangpeng Gao, Nassim Zeinali, Jakub Skut, Phillip R Westmoreland, Ibukun Oluwoye, Mohammednoor Altarawneh
Photo-degradation of organic pollutants plays an important role in their removal from the environment. This study provides an experimental and theoretical account of the reaction of singlet oxygen O2(1Δg) with the biodegradable-resistant species of phenol in an aqueous medium. The experiments combine customised LED-photoreactors, high-performance liquid chromatography (HPLC), and electron paramagnetic resonance (EPR) imaging, employing rose bengal as a sensitiser. Guided by density functional theory (DFT) calculations at the M062X level, we report the mechanism of the reaction and its kinetic model...
December 5, 2018: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/30515971/multimetal-borides-nanochains-as-efficient-electrocatalysts-for-overall-water-splitting
#10
Yingjie Li, Bolong Huang, Yingjun Sun, Mingchuan Luo, Yong Yang, Yingnan Qin, Lei Wang, Chunji Li, Fan Lv, Weiyu Zhang, Shaojun Guo
The development of cost-efficient, active, and stable electrode materials as bifunctional catalysts for electrochemical water splitting is crucial to high-performance renewable energy storage and conversion devices. In this work, the synthesis of Co-based multi-metal borides nanochains with amorphous structure is reported for boosting the oxygen evolution (OER) and hydrogen evolution reactions (HER) by one-pot NaBH4 reduction of Co2+ , Ni2+ , and Fe2+ under ambient temperature. In all the investigated Co-based metal borides, NiCoFeB nanochains show the excellent OER performance with a low overpotential of 284 mV at 10 mA cm-2 and Tafel slope of 46 mV dec-1 , respectively, together with excellent catalytic stability, and robust HER performance with an overpotential of 345 mV at 10 mA cm-2 ...
December 5, 2018: Small
https://www.readbyqxmd.com/read/30515897/computational-chemical-analysis-of-ru-ii-pheox-catalyzed-highly-enantioselective-intramolecular-cyclopropanation-reactions
#11
Yoko Nakagawa, Naofumi Nakayama, Hitoshi Goto, Ikuhide Fujisawa, Soda Chanthamath, Kazutaka Shibatomi, Seiji Iwasa
Computational chemical analysis of Ru(II)-Pheox-catalyzed highly enantioselective intramolecular cyclopropanation reactions was performed using density functional theory (DFT). In this study, cyclopropane ring-fused γ-lactones, which are 5.8 kcal/mol more stable than the corresponding minor enantiomer, are obtained as the major product. The results of the calculations suggest that the enantioselectivity of the Ru(II)-Pheox-catalyzed intramolecular cyclopropanation reaction is affected by the energy differences between the starting structures 5l and 5i...
December 4, 2018: Chirality
https://www.readbyqxmd.com/read/30515889/oxidizing-vacancies-in-nitrogen-doped-carbon-enhance-air-cathode-activity
#12
Mengfan Wang, Weipeng Wang, Tao Qian, Sisi Liu, Yutao Li, Zhufeng Hou, John B Goodenough, Pulickel M Ajayan, Chenglin Yan
Oxidizing vacancies in nitrogen-doped carbon have recently been reported to enhance the oxygen reaction activity of air cathodes, but their specific role has remained elusive and controversial. Herein, the critical role of oxidizing the vacancies in enhancing the oxygen reduction reaction for metal-air battery is identified with density functional theory. Deliberate introduction of oxygen-enriched vacancies in nitrogen-doped carbon is shown experimentally to provide superior oxygen reduction activity. In situ X-ray powder diffraction gives direct observation of the oxygen reactions in a zinc-air battery catalyzed by vacancy-enriched oxidized carbon; the intensity changes of the carbon peak show continuous chemisorption of oxygen intermediates on the carbon cathode during discharge...
December 5, 2018: Advanced Materials
https://www.readbyqxmd.com/read/30515394/dempster-shafer-theory-for-the-prediction-of-auxin-response-elements-auxres-in-plant-genomes
#13
Nesrine Sghaier, Rayda Ben Ayed, Riadh Ben Marzoug, Ahmed Rebai
Auxin is a major regulator of plant growth and development; its action involves transcriptional activation. The identification of Auxin-response element (AuxRE) is one of the most important issues to understand the Auxin regulation of gene expression. Over the past few years, a large number of motif identification tools have been developed. Despite these considerable efforts provided by computational biologists, building reliable models to predict regulatory elements has still been a difficult challenge. In this context, we propose in this work a data fusion approach for the prediction of AuxRE...
2018: BioMed Research International
https://www.readbyqxmd.com/read/30515195/generalization-bounds-for-coregularized-multiple-kernel-learning
#14
Xinxing Wu, Guosheng Hu
Multiple kernel learning (MKL) as an approach to automated kernel selection plays an important role in machine learning. Some learning theories have been built to analyze the generalization of multiple kernel learning. However, less work has been studied on multiple kernel learning in the framework of semisupervised learning. In this paper, we analyze the generalization of multiple kernel learning in the framework of semisupervised multiview learning. We apply Rademacher chaos complexity to control the performance of the candidate class of coregularized multiple kernels and obtain the generalization error bound of coregularized multiple kernel learning...
2018: Computational Intelligence and Neuroscience
https://www.readbyqxmd.com/read/30515084/the-world-as-an-external-memory-the-price-of-saccades-in-a-sensorimotor-task
#15
Andrew Melnik, Felix Schüler, Constantin A Rothkopf, Peter König
Theories of embodied cognition postulate that the world can serve as an external memory. This implies that instead of storing visual information in working memory the information may be equally retrieved by appropriate eye movements. Given this assumption, the question arises, how we balance the effort of memorization with the effort of visual sampling our environment. We analyzed eye-tracking data in a sensorimotor task where participants had to produce a copy of a LEGO® -blocks-model displayed on a computer screen...
2018: Frontiers in Behavioral Neuroscience
https://www.readbyqxmd.com/read/30514546/a-novel-learning-approach-to-pharmaceutical-sciences-research-in-a-pharmacy-research-advanced-pharmacy-practice-experience-appe-elective-course
#16
Jaclyn E Tetenbaum-Novatt, John M Lonie, David E Elkowitz, Kathleen M Frey
BACKGROUND AND PURPOSE: This project investigates the use of pharmacy student metacognitive learning in a laboratory-based science research advanced pharmacy practice experience (APPE). EDUCATIONAL ACTIVITY AND SETTING: We describe a five-week research APPE. This course is separated into two parts which run simultaneously. In part 1, students read and discuss papers from primary literature to learn the context of the project and the theory behind each laboratory procedure...
November 2018: Currents in Pharmacy Teaching & Learning
https://www.readbyqxmd.com/read/30514483/adsorption-of-bulk-nanobubbles-on-the-chemically-surface-modified-muscovite-minerals
#17
Weiguang Zhou, Jiaojiao Niu, Wei Xiao, Leming Ou
Bulk nanobubbles (NBs) that are produced in the hydrodynamic cavitation (HC) process have been widely applied in mineral flotation for more than a decade, while how bulk NBs interact with minerals in the water-solid interface is still unclear. In this study, the adsorption behaviors of bulk NBs generated in the principle of HC on muscovite surfaces in the presence of dodecylamine (DDA) were investigated. The results show that NBs are likely coated with DDA in aqueous solutions. After attaching with muscovite, bulk NBs can adsorb on the mineral surfaces, probably following the three-contact line pinning theory...
March 2019: Ultrasonics Sonochemistry
https://www.readbyqxmd.com/read/30514463/extended-theory-of-planned-behaviour-for-promoting-construction-waste-recycling-in-hong-kong
#18
Tiffany M W Mak, Iris K M Yu, Lei Wang, Shu-Chien Hsu, Daniel C W Tsang, C N Li, Tiffany L Y Yeung, Rong Zhang, Chi Sun Poon
Changing individual's recycling attitude and behaviour is of utmost importance in achieving sustainable construction and demolition (C&D) waste management, yet it has often been underachieved. To understand the motivations for recycling, this study identifies and prioritizes the key factors that affect C&D waste recycling behaviour of various stakeholders in Hong Kong (i.e., representatives from construction-waste-related organizations, environmental consultants and contractors, and government engineers) in a quantitative manner using statistical tools...
January 2019: Waste Management
https://www.readbyqxmd.com/read/30513778/synthesis-experimental-and-density-functional-theory-dft-studies-on-solubility-of-camptothecin-derivatives
#19
Chin-Hung Lai, Chia-Chin Chang, Yi-Lin Weng, Ta-Hsien Chuang
Two camptothecin derivatives, 10-cyclohexyl-7-methyl-20( S )-camptothecin and 7-methyl-10-morpholino-20( S )-camptothecin, were synthesized and their differences in solubility were investigated using four chosen solvent systems. Based on our results, 10-cyclohexyl-7-methyl-20( S )-camptothecin exhibited higher solubilities than 7-methyl-10-morpholino-20( S )-camptothecin in polar aprotic solvents. However, these two camptothecin derivatives did not exhibit apparent differences in solubility between 5% dimethyl sulfoxide (DMSO)/95% normal saline co-solvent system and 5% dimethylacetamide (DMAC)/95% normal saline co-solvent system...
December 1, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/30513742/classical-qsar-and-docking-simulation-of-4-pyridone-derivatives-for-their-antimalarial-activity
#20
Máryury Flores-Sumoza, Jackson J Alcázar, Edgar Márquez, José R Mora, Jesús Lezama, Esneyder Puello
In this work, the minimum energy structures of 22 4-pyridone derivatives have been optimized at Density Functional Theory level, and several quantum molecular, including electronic and thermodynamic descriptors, were computed for these substrates in order to obtain a statistical and meaningful QSAR equation. In this sense, by using multiple linear regressions, five mathematical models have been obtained. The best model with only four descriptors (r² = 0.86, Q² = 0.92, S.E.P = 0.38) was validated by the leave-one-out cross-validation method...
December 1, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
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