Search results for: time-dependent density functional theory

Authors: S. Murr, S. Phillips

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One of the biggest challenges entering a market with a carsharing or any other shared mobility (SM) service is sound investment decision-making. To support this process, the authors think that a city index evaluating different criteria is necessary. The goal of such an index is to benchmark cities along a set of external measures to answer the main two challenges: financially viability and the understanding of its specific requirements. The authors have consulted several shared mobility projects and industry experts to create such a Shared Mobility City Index (SMCI). The current proposal of the SMCI consists of 11 individual index measures: general data (demographics, geography, climate and city culture), shared mobility landscape (current SM providers, public transit options, commuting patterns and driving culture) and political vision and goals (vision of the Mayor, sustainability plan, bylaws/tenders supporting SM). To evaluate the suitability of the index, 16 cities on the East Coast of North America were selected and secondary research was conducted. The main sources of this study were census data, organisational records, independent press releases and informational websites. Only non-academic sources where used because the relevant data for the chosen cities is not published in academia. Applying the index measures to the selected cities resulted in three major findings. Firstly, density (city area divided by number of inhabitants) is not an indicator for the number of SM services offered: the city with the lowest density has five bike and carsharing options. Secondly, there is a direct correlation between commuting patterns and how many shared mobility services are offered. New York, Toronto and Washington DC have the highest public transit ridership and the most shared mobility providers. Lastly, except one, all surveyed cities support shared mobility with their sustainability plan. The current version of the shared mobility index is proving a practical tool to evaluate cities, and to understand functional, political, social and environmental considerations. More cities will have to be evaluated to refine the criteria further. However, the current version of the index can be used to assess cities on their suitability for shared mobility services and will assist investors deciding which city is a financially viable market.

Keywords: carsharing, transportation, urban planning, shared mobility city index

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Authors: Homer Hermes De Dios, Dewoowoogen Baclayon

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The community assemblages of reef fishes was conducted in ten marine sanctuaries and ten non-marine sanctuary areas in Sogod Bay, Southern Leyte, Philippines from 2014-2015. A total of 223 species belonging to 39 families of reef fishes in Sogod Bay were recorded. Family Pomacentridae (e.g. damsel fishes) has the highest number of species (42), followed by Labridae or wrasses (27), Chaetodonthidae or butterfly fish (22), Scaridae or parrotfishes (17), and Acanthuridae (surgeonfishes) and Pomacanthidae (angelfishes) both with 10 species. Two of the recorded fish species were included in the IUCN Red List, wherein one is near threatened (Chlorurus bowersi) and the other is endangered species (Cheilinus undulatus). The mean total fish biomass (target + indicator + major or other fish) in MPA was significantly higher (13,468 g/500m2 or equivalent to 26.94 mt/km2) than Non-MPA with 7,408 g/500m2 or 15,216mt/km2 in Non-MPA. The mean total fish biomass in MPAs in Sogod Bay can be categorized as high (21-40 mt/km2) with minimal fishing and medium or slightly moderately fished (11-20 mt/km2) in Non-MPAs. The mean (±SE) biomass of target fishes was significantly higher in MPA than Non-MPA and differ significantly across two depths. The target fish biomass was significantly higher in Limasawa Marine Sanctuary (13,569 g/500m2) followed by Lungsodaan Marine Sanctuary in Padre Burgos (11,884 g/500m2) and the lowest was found in San Isidro (735 g/500m2). The mean total fish density (target + indicator + major or other fish) did not differ between Marine Protected area (607.912 fishes/500m2 or 1215.824 fishes/1000m2) and 525.937 fishes/500m2 in non-Marine Protected Area and can be categorized as moderate (667-2267mt/km2). The mean density of target fishes was significantly (p=0.022) higher in deeper areas (12-15m) than in shallow areas but did not differ significantly between MPAs and Non-MPA. No significant difference of the biomass and density for indicator and other fishes in MPAs and Non-MPAs.

Keywords: abundance, density, species richness, target fish, coral reef management

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Authors: Madhurima Poddar, Vinay Sharma, Shaikh M. Mobin, Rajneesh Misra

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Three 1,8-naphthalimide (NPI) substituted 4,4-difluoroboradiaza-s-indacene (BODIPY) dyads were synthesized via Pd-catalyzed Sonogashira cross-coupling reaction of ethynyl substituted NPI with the meso-, β- and α-halogenated BODIPYs, respectively. The photophysical and electrochemical data reveals considerable electronic communication between the BODIPY and NPI moieties. The electronic absorption spectrum reveals that the substitution of NPI at α position of BODIPY exhibit better electronic communication between the NPI and the BODIPY units. The electronic structures of all the dyads exhibit planar geometries which are in a good correlation with the structures obtained from single crystal X-ray diffraction. The crystal structures of the dyads exhibit interesting supramolecular interactions. The dyads show good cytocompatibility with the potential of multicolor live-cell imaging; making them excellent candidates for biological applications. The work provides an important strategy of screening the substitution pattern at different position of BODIPYs which will be useful for the design of BODIPY based organic molecules for various optoelectronic applications as well as bio-imaging.

Keywords: bio-imaging studies, cross-coupling, cyclic voltammetry, density functional calculations, fluorescence spectra, single crystal XRD, UV/Vis spectroscopy

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Authors: Zair Mohammed El Amine, Chemouri Hafida, Derbal Habak Hassina

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Organic photovoltaic cells are electronic devices that convert sunlight into electricity. To this end, the number of studies on organic photovoltaic cells (OVCs) is growing, and this trend is expected to continue. Computational studies are still needed to verify and prove the capability of CVOs, specifically the nanometer molecule PCBM, based on successful experimental results. In this paper, we present a theoretical and computational investigation of PCBM and PC71BM derivatives using the DFT method. On this basis, we employ independent and time-dependent density theories. HOMO, LUMO and GAPH-L energies, ionization potentials and electronic affinity are determined and found to be in agreement with experiments. Using DFT theory based on B3LYP and M062X methods with bases 6-31G (d,p) and 6-311G (d), calculations show that the most efficient acceptors are presented in the group of PC71BM derivatives and are in substantial agreement with experiments. The geometries of the structures are optimized by Gaussian 09.

Keywords: PCBM, P3HT, organic cell solar, DFT, TD-DFT

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Authors: Panupat Chaiworn, Soraya lama

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We study the motion of particles in cylinders which are subjected to a sinusoidal vertical vibration. We measure the rising time of a large intruder from the bottom of the container to free surface of the bed particles and find that the rising time as a function of intruder density increases to a maximum and then decreases monotonically. The result is qualitatively accord to the previous findings in experiments using relative humidity of the bed particles and found speed convection of the bed particles containers it moving slowly, and the rising time of the intruder where a minimal instead of maximal rising time in the small density region was found. Our experimental results suggest that the topology of the container plays an important role in the Brazil nut effect.

Keywords: granular particles, Brazil nut effect, cylinder container, vertical vibration, convection

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Authors: J. Zach, J. Hroudova, J. Brozovsky

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Thermal insulation materials based on natural fibers represent a very promising area of materials based on natural easy renewable row sources. These materials may be in terms of the properties of most competing synthetic insulations, but show somewhat higher moisture sensitivity and thermal insulation properties are strongly influenced by the density and orientation of fibers. The paper described the problem of hygrothermal behavior of thermal insulation materials based on natural plant and animal fibers. This is especially the dependence of the thermal properties of these materials on the type of fiber, bulk density, temperature, moisture and the fiber orientation.

Keywords: thermal insulating materials, hemp fibers, sheep wool fibers, thermal conductivity, moisture

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Authors: Hamed Khani Arani, Mohammad Shariyat, Armaghan Mohammadian

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In the present study, the free vibration of magnetostrictive nano-plate (MsNP) resting on the Pasternak foundation is investigated. Firstly, the modified couple stress (MCS) and nonlocal elasticity theories are compared together and taken into account to consider the small scale effects; in this paper not only two theories are analyzed but also it improves the MCS theory is more accurate than nonlocal elasticity theory in such problems. A feedback control system is utilized to investigate the effects of a magnetic field. First-order shear deformation theory (FSDT), Hamilton’s principle and energy method are utilized in order to drive the equations of motion and these equations are solved by differential quadrature method (DQM) for simply supported boundary conditions. The MsNP undergoes in-plane forces in x and y directions. In this regard, the dimensionless frequency is plotted to study the effects of small scale parameter, magnetic field, aspect ratio, thickness ratio and compression and tension loads. Results indicate that these parameters play a key role on the natural frequency. According to the above results, MsNP can be used in the communications equipment, smart control vibration of nanostructure especially in sensor and actuators such as wireless linear micro motor and smart nano valves in injectors.

Keywords: feedback control system, magnetostrictive nano-plate, modified couple stress theory, nonlocal elasticity theory, vibration analysis

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Authors: Arafa A. Alholaisi, Jamal H. Madani, M. A. Alvi

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The radial form of nuclear matter distribution, charge and the shape of nuclei are essential properties of nuclei, and hence, are of great attention for several areas of research in nuclear physics. More than last three decades have witnessed a range of experimental means employing leptonic probes (such as muons, electrons etc.) for exploring nuclear charge distributions, whereas the hadronic probes (for example alpha particles, protons, etc.) have been used to investigate the nuclear matter distributions. In this paper, p-^9,11Li elastic scattering differential cross sections in the energy range  to  MeV have been studied by means of Coulomb modified Glauber scattering formalism. By applying the semi-phenomenological Bhagwat-Gambhir-Patil [BGP] nuclear density for loosely bound neutron rich ¹¹Li nucleus, the estimated matter radius is found to be 3.446 fm which is quite large as compared to so known experimental value 3.12 fm. The results of microscopic optical model based calculation by applying Bethe-Brueckner–Hartree–Fock formalism (BHF) have also been compared. It should be noted that in most of phenomenological density model used to reproduce the p-¹¹Li differential elastic scattering cross sections data, the calculated matter radius lies between 2.964 and 3.55 fm. The calculated results with phenomenological BGP model density and with nucleon density calculated in the relativistic mean-field (RMF) reproduces p-⁹Li and p-¹¹Li experimental data quite nicely as compared to Gaussian- Gaussian or Gaussian-Oscillator densities at all energies under consideration. In the approach described here, no free/adjustable parameter has been employed to reproduce the elastic scattering data as against the well-known optical model based studies that involve at least four to six adjustable parameters to match the experimental data. Calculated reaction cross sections σ_R for p-¹¹Li at these energies are quite large as compared to estimated values reported by earlier works though so far no experimental studies have been performed to measure it.

Keywords: Bhagwat-Gambhir-Patil density, Coulomb modified Glauber model, halo nucleus, optical limit approximation

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Authors: Bo Kampmann Walther

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This essay examines the narratives of the Book of Genesis through the lens of game theory, a mathematical framework for analyzing strategic interactions among rational actors. By treating key figures in Genesis as players in a game, this analysis sheds light on their decisions and the resulting consequences. Focusing primarily on the story of Adam and Eve, the essay utilizes concepts such as game state, saddle point, optimal strategy, and Nash equilibrium to explore the dynamics at play and scrutinize the existence of two kinds of game rules in Genesis: one being global and post-Fall oriented, the other being local and relegated to life in the Garden. The serpent's intervention and the subsequent actions of Adam and Eve are modeled as strategic moves, revealing the complexities and shifts in the game state from harmony in Eden to a world marked by toil and mortality post-Fall.

Keywords: game theory, Genesis, strategy, saddle point, nash equilibrium, New Game State

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Authors: Elham Farahmand, Fatimah Ibrahim, Samira Hosseini, Ivan Djordjevic, Leo. H. Koole

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Compositions of different molar ratios of polymethylmethacrylate-co-methacrylic acid (PMMA-co-MAA) were synthesized via free- radical polymerization. Polymer coated surfaces have been produced on silicon wafers. Coated samples were analyzed by atomic force microscopy (AFM). The results have shown that the roughness of the surfaces have increased by increasing the molar ratio of monomer methacrylic acid (MAA). This study reveals that the gradual increase in surface roughness is due to the fact that carboxylic functional groups have been generated by MAA segments. Such surfaces can be desirable platforms for fabrication of the biosensors for detection of the viruses and diseases.

Keywords: polymethylmethacrylate-co-methacrylic acid (PMMA-co-MAA), polymeric material, atomic force microscopy, roughness, carboxylic functional groups

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Authors: Karolina Ordon, Sandrine Coste, Malgorzata Makowska-Janusik, Abdelhadi Kassiba

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Photocatalytic processes play key role in the production of a new source of energy (as hydrogen), design of self-cleaning surfaces or for the environment preservation. The most challenging task deals with the purification of water distinguished by high efficiency. In the mentioned process, organic pollutants in solutions are decomposed to the simple, non-toxic compounds as H2O and CO2. The most known photocatalytic materials are ZnO, CdS and TiO2 semiconductors with a particular involvement of TiO2 as an efficient photocatalysts even with a high band gap equal to 3.2 eV which exploit only UV radiation from solar emitted spectrum. However, promising material with visible light induced photoactivity was searched through the monoclinic polytype of BiVO4 which has energy gap about 2.4 eV. As required in heterogeneous photocatalysis, the high contact surface is required. Also, BiVO4 as photocatalyst can be optimized by increasing its surface area by achieving the mesoporous structure synthesize. The main goal of the present work consists in the synthesis and characterization of BiVO4 mesoporous thin film. The synthesis method based on sol-gel was carried out using a standard surfactants such as P123 and F127. The thin film was deposited by spin and dip coating method. Then, the structural analysis of the obtained material was performed thanks to X-ray diffraction (XRD) and Raman spectroscopy. The surface of resulting structure was investigated using a scanning electron microscopy (SEM). The computer simulations based on modeling the optical and electronic properties of bulk BiVO4 by using DFT (density functional theory) methodology were carried out. The semiempirical parameterized method PM6 was used to compute the physical properties of BiVO4 nanostructures. The Raman and IR absorption spectra were also measured for synthesized mesoporous material, and the results were compared with the theoretical predictions. The simulations of nanostructured BiVO4 have pointed out the occurrence of quantum confinement for nanosized clusters leading to widening of the band gap. This result overcame the relevance of nanosized objects to harvest wide part of the solar spectrum. Also, a balance was searched experimentally through the mesoporous nature of the films devoted to enhancing the contact surface as required for heterogeneous catalysis without to lower the nanocrystallite size under some critical sizes inducing an increased band gap. The present contribution will discuss the relevant features of the mesoporous films with respect to their photocatalytic responses.

Keywords: bismuth vanadate, photocatalysis, thin film, quantum-chemical calculations

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Authors: Punnoose A. K.

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This paper presents an approach for identifying noisy speech recording using a multi-layer perception (MLP) trained to predict phonemes from acoustic features. Characteristics of the MLP posteriors are explored for clean speech and noisy speech at the frame level. Appropriate density functions are used to fit the softmax probability of the clean and noisy speech. A function that takes into account the ratio of the softmax probability density of noisy speech to clean speech is formulated. These phoneme independent scoring is weighted using a phoneme-specific weightage to make the scoring more robust. Simple thresholding is used to identify the noisy speech recording from the clean speech recordings. The approach is benchmarked on standard databases, with a focus on precision.

Keywords: noisy speech identification, speech pre-processing, noise robustness, feature engineering

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Authors: Idit Miller

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This paper examines the effect of a common organizational identity on intergroup relations of Israeli-Jews and non-Israeli Palestinians medical interns who are employed together within the Israeli hospitals, while asymmetrical relationships and ongoing conflict between the two groups still exist. Using mixed theory, which included the Intergroup contact, Othering, and the Common social identity theories, the study examines the intra-organizational identities dynamic involved within the hospital department and its effects on intergroup relations. In-depth, semi-structured interviews with the Palestinian and Jews physicians were conducted. Findings show three social identity responses are being constructed during the shared employment: Them vs. Us construction, Them vs. Us deconstruction, and an 'Organizational Us' reconstruction. Despite the inequality inherent within the intergroup relations, by holding a universal identity and using a deconstruction pattern, positive emotions are demonstrated by both sides. The adoption of a shared professional super-identity is found as an essential component for fostering and maintaining positive attitudes between the parties. This finding strengthens the significance of a long-term continuous intergroup contact inside the organization and especially between two polarized groups.

Keywords: common social identity theory, intergroup contact theory, inequality, intergroup conflict, othering theory

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Authors: Makhan Maharjan, Mani Ulaganathan, Vanchiappan Aravindan, Srinivasan Madhavi, Jing-Yuan Wang, Tuti Mariana Lim

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The ever-increasing energy demand has made research to develop high performance energy storage systems that are able to fulfill energy needs. Supercapacitors have potential applications as portable energy storage devices. In recent years, there have been huge research interests to enhance the performances of supercapacitors via exploiting novel promising carbon precursors, tailoring textural properties of carbons, exploiting various electrolytes and device types. In this work, we employed orange peel (waste material) as the starting material and synthesized activated carbon by pyrolysis of KOH impregnated orange peel char at 800 °C in argon atmosphere. The resultant orange peel-derived activated carbon (OP-AC) exhibited BET surface area of 1,901 m² g-1, which is the highest surface area so far reported for the orange peel. The pore size distribution (PSD) curve exhibits the pores centered at 11.26 Å pore width, suggesting dominant microporosity. The high surface area OP-AC accommodates more ions in the electrodes and its well-developed porous structure facilitates fast diffusion of ions which subsequently enhance electrochemical performance. The OP-AC was studied as positive electrode in combination with different negative electrode materials, such as pre-lithiated graphite (LiC6) and Li4Ti5O12 for making hybrid capacitors. The lithium ion capacitor (LIC) fabricated using OP-AC with pre-lithiated graphite delivered high energy density of ~106 Wh kg–1. The energy density for OP-AC||Li4Ti5O12 capacitor was ~35 Wh kg⁻¹. For comparison purpose, configuration of OP-AC||OP-AC capacitors were studied in both aqueous (1M H2SO4) and organic (1M LiPF6 in EC-DMC) electrolytes, which delivered the energy density of 8.0 Wh kg⁻¹ and 16.3 Wh kg⁻¹, respectively. The cycling retentions obtained at current density of 1 A g⁻¹ were ~85.8, ~87.0 ~82.2 and ~58.8% after 2500 cycles for OP-AC||OP-AC (aqueous), OP-AC||OP-AC (organic), OP-AC||Li4Ti5O12 and OP-AC||LiC6 configurations, respectively. In addition, characterization studies were performed by elemental and proximate composition, thermogravimetry analysis, field emission-scanning electron microscopy, Raman spectra, X-ray diffraction (XRD) pattern, Fourier transform-infrared, X-ray photoelectron spectroscopy (XPS) and N2 sorption isotherms. The morphological features from FE-SEM exhibited well-developed porous structures. Two typical broad peaks observed in the XRD framework of the synthesized carbon implies amorphous graphitic structure. The ratio of 0.86 for ID/IG in Raman spectra infers high degree of graphitization in the sample. The band spectra of C 1s in XPS display the well resolved peaks related to carbon atoms in various chemical environments. The presence of functional groups is also corroborated from the FTIR spectroscopy. Characterization studies revealed the synthesized carbon to be promising electrode material towards the application for energy storage devices. Overall, the intriguing properties of OP-AC make it a new alternative promising electrode material for the development of high energy lithium ion capacitors from abundant, low-cost, renewable biomass waste. The authors gratefully acknowledge Agency for Science, Technology and Research (A*STAR)/ Singapore International Graduate Award (SINGA) and Nanyang Technological University (NTU), Singapore for funding support.

Keywords: energy storage, lithium-ion capacitors, orange peels, porous activated carbon

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Authors: Rebone E. Mashapa, Phesheya E. Dlamini, Sandile S. Mthimkhulu

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Woody plant encroachment, a land cover transformation that reduces grassland productivity may influence soil physical properties. The objective of the study was to determine the effect of woody plant encroachment on physical properties of vertic soils in a savanna grassland. In this study, we quantified and compared soil bulk density, aggregate stability and porosity in the top and subsoil of an open and woody encroached savanna grassland. The results revealed that soil bulk density increases, while porosity and mean weight diameter decreases with depth in both open and woody encroached grassland soil. Compared to open grassland, soil bulk density was 11% and 10% greater in the topsoil and subsoil, while porosity was 6% and 9% lower in the topsoil and subsoil of woody encroached grassland. Mean weight diameter, an indicator of soil aggregation increased by 38% only in the subsoil of encroached grasslands due to increasing clay content with depth. These results suggest that woody plant encroachment leads to compaction of vertic soils, which in turn reduces pore size distribution.

Keywords: soil depth, soil physical properties, vertic soils, woody plant encroachment

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Authors: Qing Liu, Jean-fabien Capsal, Claude Richard

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In this current contribution, authors are dedicated to investigate influence of the crystal lamellae orientation on electromechanical behaviors of relaxor ferroelectric Poly (vinylidene fluoride –trifluoroethylene -chlorotrifluoroethylene) (P(VDF-TrFE-CTFE)) films by control of polymer microstructure, aiming to picture the full map of structure-property relationship. In order to define their crystal orientation films, terpolymer films were fabricated by solution-casting, stretching and hot-pressing process. Differential scanning calorimetry, impedance analyzer, and tensile strength techniques were employed to characterize crystallographic parameters, dielectric permittivity, and elastic Young’s modulus respectively. In addition, large electrical induced out-of-plane electrostrictive strain was obtained by cantilever beam mode. Consequently, as-casted pristine films exhibited surprisingly high electrostrictive strain 0.1774% due to considerably small value of elastic Young’s modulus although relatively low dielectric permittivity. Such reasons contributed to large mechanical elastic energy density. Instead, due to 2 folds increase of elastic Young’s modulus and less than 50% augmentation of dielectric constant, fully-crystallized film showed weak electrostrictive behavior and mechanical energy density as well. And subjected to mechanical stretching process, Film C exhibited stronger dielectric constant and out-performed electrostrictive strain over Film B because edge-on crystal lamellae orientation induced by uniaxially mechanical stretch. Hot-press films were compared in term of cooling rate. Rather large electrostrictive strain of 0.2788% for hot-pressed Film D in quenching process was observed although its dielectric permittivity equivalent to that of pristine as-casted Film A, showing highest mechanical elastic energy density value of 359.5 J/m^3. In hot-press cooling process, dielectric permittivity of Film E saw values at 48.8 concomitant with ca.100% increase of Young’s modulus. Films with intermediate mechanical energy density were obtained.

Keywords: crystal orientation, electrostroctive strain, mechanical energy density, permittivity, relaxor ferroelectric

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Authors: Ferissa B. Ablola

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The two learning theories which were evidently used in medical education include cognitive and sociocultural frameworks. The interplay of different learning theories in education is vital since most of the existing theories have specific focus of development. In addition, a certain theory is best fit with a particular learning outcome and audience profile. The application of learning theories is education is said to be dynamic and becomes more complex with increasing educational level. This systematic review aims to describe the possible shift from integration of cognitive learning theory to employment of socio-cultural approach in medical and health-allied education over the years among students, educators and the learning institution through systematic review following the PRISMA guidelines. In addition, the changes in teaching modality and individual acceptance of the shift of learning framework among cognitive constructivist and social constructivist will also be documented. This present review may serve as baseline information on the connection of two widely used theories in medical education in different year levels. Further, this study emphasizes the significance of the alignment of different learning theories and combination of insights from several educational frameworks, would permit the creation of a teaching/learning design with real theoretical depth. A more inclusive systematic review is necessary to involve more related studies, and exploration of interaction among other learning theories in health and other fields of study is encouraged.

Keywords: learning theory, cognitive, sociocultural, medical education

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Authors: Yu-Chen Wei

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This study integrated the need fulfillment theory and affective event theory to investigate the effects of the interaction of job involvement and organizational citizenship behavior (OCB) on well-being. Data from 196 paired samples of employees and their supervisors in one supplementary school in Taiwan were analyzed. This study found that while neither job involvement nor OCB directly affects well-being, the interaction of job involvement and OCB can predict well-being. The findings of this study suggest that management can assist employees in improving their well-being by balancing job involvement and OCB.

Keywords: job involvement, organizational citizenship behavior, well-being, need fulfillment

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Authors: Chuan Yang, Jing Bie, Yueh-Lung Lin, Zhong Wang

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Transportation planning is an academic integration discipline combining research and practice with the aim of mobility and accessibility improvements at both strategic-level policy-making and operational dimensions of practical planning. Transportation planning could build the linkage between traffic and social development goals, for instance, economic benefits and environmental sustainability. The transportation planning analysis and evaluation tend to apply empirical quantitative approaches with the guidance of the fundamental principles, such as efficiency, equity, safety, and sustainability. Space syntax theory has been applied in the spatial distribution of pedestrian movement or vehicle flow analysis, however rare has been written about its application in transportation planning. The correlated relationship between the variables of space syntax analysis and authentic observations have declared that the urban configurations have a significant effect on urban dynamics, for instance, land value, building density, traffic, crime. This research aims to explore the potentials of applying Space Syntax methodology to evaluate urban transportation planning through studying the effects of urban configuration on cities transportation performance. By literature review, this paper aims to discuss the effects that urban configuration with different degrees of integration and accessibility have on three elementary components of transportation planning - transportation efficiency, transportation safety, and economic agglomeration development - via intensifying and stabilising the nature movements generated by the street network. And then the potential and limits of Space Syntax theory to study the performance of urban transportation and transportation planning would be discussed in the paper. In practical terms, this research will help future research explore the effects of urban design on transportation performance, and identify which patterns of urban street networks would allow for most efficient and safe transportation performance with higher economic benefits.

Keywords: transportation planning, space syntax, economic agglomeration, transportation efficiency, transportation safety

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Authors: Fang Li, Jiazhao Wang, Jianmin Ma

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The practical application of Li-S batteries is hampered due to poor cycling stability caused by electrolyte-dissolved lithium polysulfides. Dual functionalities such as strong chemical adsorption stability and high conductivity are highly desired for an ideal host material for a sulfur-based cathode. Polypyrrole (PPy), as a conductive polymer, was widely studied as matrixes for sulfur cathode due to its high conductivity and strong chemical interaction with soluble polysulfides. Thus, a novel cathode structure consisting of a free-standing sulfur-polypyrrole cathode and a polypyrrole coated separator was designed for flexible Li-S batteries. The PPy materials show strong interaction with dissoluble polysulfides, which could suppress the shuttle effect and improve the cycling stability. In addition, the synthesized PPy film with a rough surface acts as a current collector, which improves the adhesion of sulfur materials and restrain the volume expansion, enhancing the structural stability during the cycling process. For further enhancing the cycling stability, a PPy coated separator was also applied, which could make polysulfides into the cathode side to alleviate the shuttle effect. Moreover, the PPy layer coated on commercial separator is much lighter than other reported interlayers. A soft-packaged flexible Li-S battery has been designed and fabricated for testing the practical application of the designed cathode and separator, which could power a device consisting of 24 light-emitting diode (LED) lights. Moreover, the soft-packaged flexible battery can still show relatively stable cycling performance after repeated bending, indicating the potential application in flexible batteries. A novel vapor phase deposition method was also applied to prepare uniform polypyrrole layer coated sulfur/graphene aerogel composite. The polypyrrole layer simultaneously acts as host and adsorbent for efficient suppression of polysulfides dissolution through strong chemical interaction. The density functional theory (DFT) calculations reveal that the polypyrrole could trap lithium polysulfides through stronger bonding energy. In addition, the deflation of sulfur/graphene hydrogel during the vapor phase deposition process enhances the contact of sulfur with matrixes, resulting in high sulfur utilization and good rate capability. As a result, the synthesized polypyrrole coated sulfur/graphene aerogel composite delivers a specific discharge capacity of 1167 mAh g⁻¹ and 409.1 mAh g⁻¹ at 0.2 C and 5 C respectively. The capacity can maintain at 698 mAh g⁻¹ at 0.5 C after 500 cycles, showing an ultra-slow decay rate of 0.03% per cycle.

Keywords: polypyrrole, strong chemical interaction, long-term stability, Li-S batteries

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Authors: Martin S. Mulyadi

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This research investigates the corporate governance disclosure behavior of Indonesian corporations with type II agency problems. The primary cause of the 1990s Asian financial crisis has been attributed to poor corporate governance practices in Indonesia. Most importantly, these poor practices were commonly found in family-owned and government-owned corporations. There are a lot of publicly listed family-owned and government-owned corporations in Indonesia. Agency theory refers to these corporations as corporations with type II agency problems. This research employs agency theory to analyzes corporate governance practice and disclosures in such settings and found that government-owned corporations perform better than family-owned corporations.

Keywords: corporate governance, corporate disclosures, agency theory, type II agency problems

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Authors: Surbhi Rani, Sunita Gakkhar

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The four-dimensional food web system consisting of two prey species for a generalist middle predator and a top predator is proposed and investigated. The middle predator is predating both the prey species with a modified Holling type-II functional response. The food web model is found to be well-posed, bounded, and dissipative. The proposed model's essential dynamical features are studied in terms of local stability. The four species' survival is explored, and persistence conditions are established. The numerical simulations reveal the persistence in the form of a chaotic attractor or stable focus. The conclusion is that providing additional food to the middle predator may help to control the food chain's chaos.

Keywords: predator-prey model, existence of equilibrium points, local stability, chaos, numerical simulations

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Authors: Abdelfatah Elsenosy, Mahmoud Ebrahim

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Background: Distal radius fractures are commonly encountered in orthopedic practice, especially in elderly patients. A number of clinical papers have supported the idea that anatomic restoration of the distal end of the radius is essential to gain superior results. Aim and objectives: The aim of the study is to systematically review the literature for the management of distal end radius in elderly persons (conservative treatment versus percutaneous wire fixation) as regards radiological and functional outcomes. Subjects and methods: Studies were identified from the Medline, Cochrane, EMBASE, and Google Scholar databases were searched until 2019 using combinations of the following search terms: distal radius fracture, conservative treatment, non-operative treatment, and nonsurgical treatment, surgical treatment, operative, elderly, and older. Reference lists of relevant studies were manually searched. Results: There was no statistical significance difference between CI and PKF groups’ frequency of complication in all of the selected studies. Based on the results, we recommend more analysis regarding every parameter of the radiographic and functional results and specific complications related to each fixation need to be accomplished, which requires more Randomized controlled trials (RCTs) with high quality. Conclusion: Surgical treatment seems to be more effective distal radius fracture compared with conservative treatment when the radiographic outcomes were analyzed, and no significant differences were detected in the functional outcomes and complication rate.

Keywords: radius, fracture, surgical, RCTs, conservative, radiographic, outcomes, orthopedic

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Authors: Madhulika Pathak, Polani Seshagiri, Vani Venkatappa

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Blastocyst hatching is an indispensable process for successful implantation. One of the major reasons for implantation failure in IVF clinic is poor quality of embryo, which are not development/hatching-competent. Therefore, attempts are required to develop or enhance the culture system with a molecule recapitulating the autocrine/paracrine factors containing the environment of in-vivo endometrial milieu. We have tried to explore the functional molecules involved in the hamster hatching phenomenon. Blastocyst hatching is governed by several molecules that are entwined and regulate this process, among which cytokines are known to be expressed and are still least explored. Two of such cytokines we have used for our study are IL-1β and its natural antagonist IL-1ra to understand the functional dynamics of cytokines involved in the hatching process. Using hamster, an intriguing experimental model for hatching behavior, we have shown the mRNA (qPCR) and protein (ICC) expression of IL-1β, IL-1ra and IL-1 receptor type 1 throughout all the stages of morula, blastocyst and hatched blastocyst. Post-asserting the expression, the functional role is shown by supplementation studies, where IL-1β supplementation showed enhancement in hatching level (IL-1β treated: 84.1 ± 4.2% vs control: 63.7 ± 3.1 %, N=11), further confirmed by the diminishing effect of IL-1ra on hatching rate (IL-1ra treated: 27.5 ± 11.1% vs control: 67.9 ± 3.1%). The exogenous supplementation of IL-1ra decreased the survival rate of embryos and affected the viability in dose-dependent manner, establishing the importance of IL-1β in blastocyst cell survival. Previously, the cathepsin L and B were established as the proteases that were involved in the hamster hatching process. The inducing effect of IL-1β was correlated with enhanced mRNA level, as analyzed by qPCR, for both CAT L (by 1.9 ± 0.5 fold) and CAT B (by 3.5 ± 0.1) fold which was diminished in presence of IL-1ra (Cat L by 88 percent and Cat B by 94 percent. Moreover, using a specific fluorescent substrate-based assay kit, the enzymatic activity of these proteases was found to be increased in presence of IL-1β (Cat L by 2.1 ± 0.1 fold and CAT B by 2.3 ± 0.7 fold) and was curtailed in presence of IL-1ra. These observations provide functional insights with respect to the involvement of cytokines in the hatching process. This has implications in understanding the hatching biology and improving the embryo development quality in IVF clinics.

Keywords: Blastocyst, Cytokines, Hatching, Interleukin

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Authors: Ketaki D. Belsare, Nicholas F. Polizzi, Lior Shtayer, William F. DeGrado

Abstract:

Nature utilizes metalloproteins to perform chemical transformations with activities and selectivities that have long been the inspiration for design principles in synthetic and biological systems. The chemical reactivities of metalloproteins are directly linked to local environment effects produced by the protein matrix around the metal cofactor. A complete understanding of how the protein matrix provides these interactions would allow for the design of functional metalloproteins. The de novo computational design of proteins have been successfully used in design of active sites that bind metals like di-iron, zinc, copper containing cofactors; however, precisely designing active sites that can bind small molecule ligands (e.g., substrates) along with metal cofactors is still a challenge in the field. The de novo computational design of a functional metalloprotein that contains a purposefully designed substrate binding site would allow for precise control of chemical function and reactivity. Our research strategy seeks to elucidate the design features necessary to bind the cofactor protoporphyrin IX (hemin) in close proximity to a substrate binding pocket in a four helix bundle. First- and second-shell interactions are computationally designed to control orientation, electronic structure, and reaction pathway of the cofactor and substrate. The design began with a parameterized helical backbone that positioned a single histidine residue (as an axial ligand) to receive a second-shell H-bond from a Threonine on the neighboring helix. The metallo-cofactor, hemin was then manually placed in the binding site. A structural feature, pi-bulge was introduced to give substrate access to the protoporphyrin IX. These de novo metalloproteins are currently being tested for their activity towards hydroxylation and epoxidation. The de novo designed protein shows hydroxylation of aniline to 4-aminophenol. This study will help provide structural information of utmost importance in understanding de novo computational design variables impacting the functional activities of a protein.

Keywords: metalloproteins, protein design, de novo protein, biocatalysis

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Authors: Iwan Setiawan, Bobby Eka Gunara, Katshuhiro Nakamura

Abstract:

The theory to accelerate system on quantum dynamics has been constructed to get the desired wave function on shorter time. This theory is developed on adiabatic quantum dynamics which any regulation is done on wave function that satisfies Schrödinger equation. We show accelerated manipulation of WFs with the use of a parameter-dependent in asymmetric double-well potential and also when it’s influenced by electromagnetic fields.

Keywords: driving potential, Adiabatic Quantum Dynamics, regulation, electromagnetic field

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Authors: Zahra Ashraf

Abstract:

Flax and pumpkin seeds are a rich source of unsaturated fatty acids, antioxidants and fiber, known to have anti-atherogenic properties. Hypercholesterolemia is a state characterized by the elevated level of cholesterol in the blood. This research was designed to study the effect of flax and pumpkin seeds powder mixture on hypercholesterolemia and body weight. Rat’s species were selected as human representative. Thirty male albino rats were divided into three groups: a control group, a CD-chol group (control diet+cholesterol) fed with 1.5% cholesterol and FP-chol group (flaxseed and pumpkin seed powder+ cholesterol) fed with 1.5% cholesterol. Flax and pumpkin seed powder mixed at proportion of (5/1) (omega-3 and omega-6). Blood samples were collected to examine lipid profile and body weight was also measured. Thus the data was subjected to analysis of variance. In CD-chol group, body weight, total cholesterol TC, triacylglycerides TG in plasma, plasma LDL-C, ratio significantly increased with a decrease in plasma HDL (good cholesterol). In FP-chol group lipid parameters and body weights were decreased significantly with an increase in HDL and decrease in LDL (bad cholesterol). The mean values of body weight, total cholesterol, triglycerides, low density lipoprotein and high density lipoproteins in FP-chol group were 240.66±11.35g, 59.60±2.20mg/dl, 50.20±1.79 mg/dl, 36.20±1.62mg/dl, 36.40±2.20 mg/dl, respectively. Flaxseed and pumpkin seeds powder mixture showed reduction in body weight, serum cholesterol, low density lipoprotein and triglycerides. While significant increase was shown in high density lipoproteins when given to hypercholesterolemic rats. Our results suggested that flax and pumpkin seed mixture has hypocholesterolemic effects which were probably mediated by polyunsaturated fatty acids (omega-3 and omega-6) present in seed mixture.

Keywords: hypercolesterolemia, omega 3 and omega 6 fatty acids, cardiovascular diseases

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Authors: Hedia El Ourabi, Marc Alexandre Tomiuk, Ahmed Khalil Ben Ayed

Abstract:

The aim of this study is to investigate the effects of the labeling cues traceability (T), health claim (HC), and verification of health claim (VHC) on consumer affective response and sensory appeal toward a wide array of functional food carriers (FFC). Predominantly, research in the food area has tended to examine the effects of these information cues independently on cognitive responses to food product offerings. Investigations and findings of potential interaction effects among these factors on effective response and sensory appeal are therefore scant. Moreover, previous studies have typically emphasized single or limited sets of functional food products and categories. In turn, this study considers five food product categories enriched with omega-3 fatty acids, namely: meat products, eggs, cereal products, dairy products and processed fruits and vegetables. It is, therefore, exhaustive in scope rather than exclusive. An investigation of the potential simultaneous effects of these information cues on the affective responses and sensory appeal of consumers should give rise to important insights to both functional food manufacturers and policymakers. A mixed (2 x 3) x (2 x 5) between-within subjects factorial ANOVA design was implemented in this study. T (two levels: completely traceable or non-traceable) and HC (three levels: functional health claim, or disease risk reduction health claim, or disease prevention health claim) were treated as between-subjects factors whereas VHC (two levels: by a government agency and by a non-government agency) and FFC (five food categories) were modeled as within-subjects factors. Subjects were randomly assigned to one of the six between-subjects conditions. A total of 463 questionnaires were obtained from a convenience sample of undergraduate students at various universities in the Montreal and Ottawa areas (in Canada). Consumer affective response and sensory appeal were respectively measured via the following statements assessed on seven-point semantic differential scales: ‘Your evaluation of [food product category] enriched with omega-3 fatty acids is Unlikeable (1) / Likeable (7)’ and ‘Your evaluation of [food product category] enriched with omega-3 fatty acids is Unappetizing (1) / Appetizing (7).’ Results revealed a significant interaction effect between HC and VHC on consumer affective response as well as on sensory appeal toward foods enriched with omega-3 fatty acids. On the other hand, the three-way interaction effect between T, HC, and VHC on either of the two dependent variables was not significant. However, the triple interaction effect among T, VHC, and FFC was significant on consumer effective response and the interaction effect among T, HC, and FFC was significant on consumer sensory appeal. Findings of this study should serve as impetus for functional food manufacturers to closely cooperate with policymakers in order to improve on and legitimize the use of health claims in their marketing efforts through credible verification practices and protocols put in place by trusted government agencies. Finally, both functional food manufacturers and retailers may benefit from the socially-responsible image which is conveyed by product offerings whose ingredients remain traceable from farm to kitchen table.

Keywords: functional foods, labeling cues, effective appeal, sensory appeal

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Authors: Jianhua Wang, Ying Zhou, Han Guo

Abstract:

Translation underwent culture turn for more than half a century, which brought translation and its studies beyond intra-texts. Different cultures in recent years have developed towards a translation turn, which made a great contribution to relocate national or local cultures being localized to become regional or global cultures. As China grows quickly economically integrating into the world, it becomes urgent to relate China’s story and disseminate the Chinese culture. Due to the weaknesses and drawbacks of different existing cultural translation theories for Chinese culture to go out, a new perspective on translation turn for the go-out of Chinese culture should be drawn to spread better and disseminate Chinese culture to other countries. Based on the existing cultural translation theories, the equivalence of ideology, style of the translator and agency of the support are proposed to draw a new perspective: an innovative poly-system theory for Chinese culture translation.

Keywords: cultural translation theory, Chinese culture, innovative poly system, global cultures

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Authors: Hanizam Awang, Mohammed Zuhear Al-Mulali

Abstract:

In this study, the possibility of using unground oil palm ash (UOPA) for producing foamed concrete is investigated. The UOPA used in this study is produced by incinerating palm oil biomass at a temperature exceeding 1000ºC. A semi-structural density of 1300kg/m3 was used with filler to binder ratio of 1.5 and preliminary water to binder ratio of 0.45. Cement was replaced by UOPA at replacement levels of 0, 25, 35, 45, 55 and 65% by weight of binder. Properties such as density, compressive strength, drying shrinkage and water absorption were investigated to the age of 90 days. The mix with a 35% of UOPA content was chosen to be used as the base material of a newly designed interlocking, mortar-less block system.

Keywords: foamed concrete, oil palm ash, strength, interlocking block

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