Search results for: Density Functional Theory (DFT)

Authors: Akarsh Verma, Avinash Parashar

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The aim of this article is to study the effects of hydroxyl functional group on the mechanical strength and fracture toughness of graphene. This functional group forms the backbone of intrinsic atomic structure of graphene oxide (GO). Molecular dynamics-based simulations were performed in conjunction with reactive force field (ReaxFF) parameters to capture the mode-I fracture toughness of hydroxyl functionalised graphene. Moreover, these simulations helped in concluding that spatial distribution and concentration of hydroxyl functional group significantly affects the fracture morphology of graphene nanosheet. In contrast to literature investigations, atomistic simulations predicted a transition in the failure morphology of hydroxyl functionalised graphene from brittle to ductile as a function of its spatial distribution on graphene sheet.

Keywords: graphene, graphene oxide, ReaxFF, molecular dynamics

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Authors: Gamze Dogan Birer

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Women’s shelters provide service to women who had been subjected to physical, psychological, economical, and sexual violence. It is proposed that adopting a trauma-informed approach in these shelters would contribute to the ‘woman-defined’ success of the service. This includes reshaping the physical qualities of the shelter, contacts, and interventions that women face during their stay in a way that accepts and addresses their traumatic experiences. It is stated in this paper that the trauma-informed approach has commonalities with the basic psychological needs that are proposed by self-determination theory. Therefore, it is proposed that self-determination theory can be used as a theoretical background for trauma-informed approach

Keywords: self determination theory, trauma informed approach, violence against women, women's shelters

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Authors: S. Behnia, S. Fathizadeh, A. Akhshani

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In the recent decades, DNA has increasingly interested in the potential technological applications that not directly related to the coding for functional proteins that is the expressed in form of genetic information. One of the most interesting applications of DNA is related to the construction of nanostructures of high complexity, design of functional nanostructures in nanoelectronical devices, nanosensors and nanocercuits. In this field, DNA is of fundamental interest to the development of DNA-based molecular technologies, as it possesses ideal structural and molecular recognition properties for use in self-assembling nanodevices with a definite molecular architecture. Also, the robust, one-dimensional flexible structure of DNA can be used to design electronic devices, serving as a wire, transistor switch, or rectifier depending on its electronic properties. In order to understand the mechanism of the charge transport along DNA sequences, numerous studies have been carried out. In this regard, conductivity properties of DNA molecule could be investigated in a simple, but chemically specific approach that is intimately related to the Su-Schrieffer-Heeger (SSH) model. In SSH model, the non-diagonal matrix element dependence on intersite displacements is considered. In this approach, the coupling between the charge and lattice deformation is along the helix. This model is a tight-binding linear nanoscale chain established to describe conductivity phenomena in doped polyethylene. It is based on the assumption of a classical harmonic interaction between sites, which is linearly coupled to a tight-binding Hamiltonian. In this work, the Hamiltonian and corresponding motion equations are nonlinear and have high sensitivity to initial conditions. Then, we have tried to move toward the nonlinear dynamics and phase space analysis. Nonlinear dynamics and chaos theory, regardless of any approximation, could open new horizons to understand the conductivity mechanism in DNA. For a detailed study, we have tried to study the current flowing in DNA and investigated the characteristic I-V diagram. As a result, It is shown that there are the (quasi-) ohmic areas in I-V diagram. On the other hand, the regions with a negative differential resistance (NDR) are detectable in diagram.

Keywords: DNA conductivity, Landauer resistance, negative dierential resistance, Chaos theory, mean Lyapunov exponent

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Authors: Martin Kartomo

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Though Management Control Systems (MCS) research has evolved beyond intra-organizational boundaries, there is limited understanding of the impact of a functioning MCS being functional beyond intra-organizational boundaries. The purpose of this research is to investigate factors that have an impact on functioning management Control Systems (MCS)becoming (dys-)functional beyond its intra-organizational boundaries. To bridge the theoretical gap, a systematic literature review is conducted to identify inter-and extra-organizational factors that are purposely suggested or unintendingly mentioned by MCS researchers to evaluate functioning MCS becoming (dys-)functional. A conceptual map is rationalized and constructed from five contingent inter-and extra-organizational MCS frameworks illuminating under-investigated MSC research areas and allowing new research avenues based on academically known factors. A multiple case study followed by a co-researcher discussion group with the purpose of identifying academically unknown factors for evaluating MCS (dys-)functionality beyond its intra-organizational boundaries. The study's result will help bridge the gap between what academics know and not know of evaluating MCS being functional beyond intra-organizational boundaries with the opportunity to develop better, more complete theories. Furthermore, it will help organizations to evaluate the impact of their activities beyond intra-organizational boundaries.

Keywords: management control systems, management control systems evaluation, management controls, control system

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Authors: Sara Namdarian, Hafez Salleh

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This paper scrutinizes the circumstances of the application of Augmented Reality (AR) technology to enhance the adaptability of architecture classrooms in private Malaysian university classrooms. This study aims to indicate the constraints of mono-functional classrooms in comparison to the potentials of multi-functional classrooms derived from AR application through an exploratory mixed method strategy. This paper expects to contribute towards recognition of suitable AR techniques which can be applied in the development of Adaptive-AR-Classroom-Systems (AARCS) in architecture classrooms. The findings, derived from the analysis, show current classrooms have limited functional spaces, and concludes that AR application can be used in design classrooms to provide a variety of visuals and virtual objects that are required in conducting architecture projects in higher educational centers.

Keywords: design activity, space enhancement, design education, architectural design augmented reality

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Authors: Sandeep Kumar, Naveen Gupta

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Terahertz (THz) generation has been investigated by beating two cosh-Gaussian laser beams of the same amplitude but different wavenumbers and frequencies through rippled collisionless plasma. The ponderomotive force is operative which is induced due to the intensity gradient of the laser beam over the cross-section area of the wavefront. The electrons evacuate towards a low-intensity regime, which modifies the dielectric function of the medium and results in cross focusing of cosh-Gaussian laser beams. The evolution of spot size of laser beams has been studied by solving nonlinear Schrodinger wave equation (NLSE) with variational technique. The laser beams impart oscillations to electrons which are enhanced with ripple density. The nonlinear oscillatory motion of electrons gives rise to a nonlinear current density driving THz radiation. It has been observed that the periodicity of the ripple density helps to enhance the THz radiation.

Keywords: rippled collisionless plasma, cosh-gaussian laser beam, ponderomotive force, variational technique, nonlinear current density

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Authors: Zhuoran Shan, Li Wan, Xianchun Zhang

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With an increasing trend of regionalization and polycentricity in Chinese contemporary big cities, “sub-region life circle” turns to be an effective method on rational organization of urban function and spatial structure. By the method of questionnaire, network big data, route inversion on internet map, GIS spatial analysis and logistic regression, this article makes research on characteristic and formation mechanism of “sub-region life circle” based on human high-probability daily activity in Chinese big cities. Firstly, it shows that “sub-region life circle” has been a new general spatial sphere of residents' high-probability daily activity and mobility in China. Unlike the former analysis of the whole metropolitan or the micro community, “sub-region life circle” has its own characteristic on geographical sphere, functional element, spatial morphology and land distribution. Secondly, according to the analysis result with Binary Logistic Regression Model, the research also shows that seven factors including land-use mixed degree and bus station density impact the formation of “sub-region life circle” most, and then analyzes the index critical value of each factor. Finally, to establish a smarter “sub-region life circle”, this paper indicates that several strategies including jobs-housing fit, service cohesion and space reconstruction are the keys for its spatial organization optimization. This study expands the further understanding of cities' inner sub-region spatial structure based on human daily activity, and contributes to the theory of “life circle” in urban's meso-scale.

Keywords: sub-region life circle, characteristic, formation mechanism, human activity, spatial structure

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Authors: N. Tugrul, E. Sariburun, F. T. Senberber, A. S. Kipcak, E. Moroydor Derun, S. Piskin

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Boron-gypsum is a waste which occurs in the boric acid production process. In this study, the boron content of this waste is evaluated for the use in synthesis of magnesium borates and such evaluation of this kind of waste is useful more than storage or disposal. Magnesium borates, which are a sub-class of boron minerals, are useful additive materials for the industries due to their remarkable thermal and mechanical properties. Magnesium borates were obtained hydrothermally at different temperatures. Novelty of this study is the search of the solution density effects to magnesium borate synthesis process for the increasing the possibility of boron-gypsum usage as a raw material. After the synthesis process, products are subjected to XRD and FT-IR to identify and characterize their crystal structure, respectively.

Keywords: boron-gypsum, hydrothermal synthesis, magnesium borate, solution density

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Authors: Reza Fazaeli, Reza Eslami-Farsani, Hamid Targhagh

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Low density polyethylene (LDPE) nanocomposites with 3, 5 and 7 wt. % cobalt ferrite (CoFe2O4) nanopowder fabricated with extrusion mixing and followed up by hot press to reach compact samples. The transmission/reflection measurements were carried out with a network analyzer in the frequency range of 8-12 GHz. By increasing the percent of CoFe2O4 nanopowder, reflection loss (S11) increases, while transferring loss (S21) decreases. Reflectivity (R) calculations made using S11 and S21. Increase in percent of CoFe2O4 nanopowder up to 7 wt. % in composite leaded to higher reflectivity amount, and revealed that increasing the percent of CoFe2O4 nanopowder up to 7 wt. % leads to further microwave absorption in 8-12 GHz range.

Keywords: nanocomposite, cobalt ferrite, low density polyethylene, microwave absorption

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Authors: Heri Hermansyah, Annisa Kurnia, A. Vania Anisya, Adi Surjosatyo, Yopi Sunarya, Rita Arbianti, Tania Surya Utami

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Lipase is one of biocatalyst which is applied commercially for the process in industries, such as bioenergy, food, and pharmaceutical industry. Nowadays, biocatalysts are preferred in industries because they work in mild condition, high specificity, and reduce energy consumption (high pressure and temperature). But, the usage of lipase for industry scale is limited by economic reason due to the high price of lipase and difficulty of the separation system. Immobilization of lipase is one of the solutions to maintain the activity of lipase and reduce separation system in the process. Therefore, we conduct a study about lipase immobilization with the adsorption-cross linking method using glutaraldehyde because this method produces high enzyme loading and stability. Lipase is immobilized on different kind of resin with the various functional group. Highest enzyme loading (76.69%) was achieved by lipase immobilized on anion macroporous which have anion functional group (OH^‑). However, highest activity (24,69 U/g support) through olive oil emulsion method was achieved by lipase immobilized on anion macroporous-chitosan which have amino (NH₂) and anion (OH^-) functional group. In addition, it also success to produce biodiesel until reach yield 50,6% through interesterification reaction and after 4 cycles stable 63.9% relative with initial yield. While for Aspergillus, niger lipase immobilized on anion macroporous-kitosan have unit activity 22,84 U/g resin and yield biodiesel higher than commercial lipase (69,1%) and after 4 cycles stable reach 70.6% relative from initial yield. This shows that optimum functional group on support for immobilization with adsorption-cross linking is the support that contains amino (NH₂) and anion (OH^-) functional group because they can react with glutaraldehyde and binding with enzyme prevent desorption of lipase from support through binding lipase with a functional group on support.

Keywords: adsorption-cross linking, immobilization, lipase, resin

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Authors: Mahacine Amrani

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A simple and rapid method for the determination of alcohol in gasoline-alcohol mixtures using density measurements is described. The method can determine a minimum of 1% of alcohol by volume. The precision of the method is ± 3%.The method is more useful for field test in the quality assessment of alcohol blended fuels.

Keywords: gasoline-alcohol, mixture, alcohol determination, density, measurement, Morocco

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Authors: Mokhtar Bouazza

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In this paper, the simplified theory will be used to predict the thermoelastic buckling behavior of rectangular functionally graded plates. The material properties of the functionally graded plates are assumed to vary continuously through the thickness, according to a simple power law distribution of the volume fraction of the constituents. The simplified theory is used to obtain the buckling of the plate under different types of thermal loads. The thermal loads are assumed to be uniform, linear, and non-linear distribution through the thickness. Additional numerical results are presented for FGM plates that show the effects of various parameters on thermal buckling response.

Keywords: buckling, functionally graded, plate, simplified higher-order deformation theory, thermal loading

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Authors: Majdi Anwar Quttainah, William Paczkowski, Ali Muhammad

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Determining the value of a privately held firms confound those in academia as well as practitioners in the fields of appraisal, forensic accounting, and law. Divergent parties to the transfer look to apply the valuation technique to serve their own best interests. This paper seeks to explore how agency theory induces owners to choose the form of their businesses at inception and how this choice will affect the appraisers’ valuation of the firm at the transfer of ownership.

Keywords: organizational form, agency theory, value

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Authors: Jumin Zhao, Na Li, Dengao Li, Yujuan Yan

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As the rapid rise of the networking industry, the shortage of Internet of Things (IoT) talented people greatly stimulates the majority of colleges to speed up the pace of professional networking reform. Caused by the construction of the original specialty, many problems appear such as the vague specialty, the mixed theoretical, the poor practical ability and the different goal. To solve the issues above, we build a ‘theory-practice-theory-improvement’ four-step model of school-enterprise integration of personnel training. Besides, we integrate the advanced teaching philosophy: flip class and Mu class, making IoT teaching more professional and the ability of students more comprehensive.

Keywords: IoT, theory-practice-theory-promotion, major construction, school-enterprise cooperation

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Authors: Eda Gök

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Peridynamics is a new modeling concept of non-local interactions for solid structures. The formulations of Peridynamic (PD) theory are based on integral equations rather than differential equations. Through, undefined equations of associated problems are avoided. PD theory might be defined as continuum version of molecular dynamics. The medium is usually modeled with mass particles bonded together. Particles interact with each other directly across finite distances through central forces named as bonds. The main assumption of this theory is that the body is composed of material points which interact with other material points within a finite distance. Although, PD theory developed for discontinuities, it gives good results for structures which have no discontinuities. In this paper, displacement control of the isotropic plate under the effect of tensile and bending loading has been investigated by means of PD theory. A MATLAB code is generated to create PD bonds and corresponding surface correction factors. Using generated MATLAB code the geometry of the specimen is generated, and the code is implemented in Finite Element Software. The results obtained from non-local continuum theory are compared with the Finite Element Analysis results and analytical solution. The results show good agreement.

Keywords: non-local continuum mechanics, peridynamic theory, solid structures, tensile loading, flexural loading

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Authors: Michael Scott, Phil Jarrell

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Digitalization seems to be everywhere these days. So if one was to digitalize Functional Safety, what would that require: • Ability to directly use data from intelligent P&IDs / process design in a PHA / LOPA • Ability to directly use data from intelligent P&IDs in the SIS Design to support SIL Verification Calculations, SRS, C&Es, Functional Test Plans • Ability to create Unit Operation / SIF Libraries to radically reduce engineering manhours while ensuring consistency and improving quality of SIS designs • Ability to link data directly from a PHA / LOPA to SIS Designs • Ability to leverage reliability models and SRS details from SIS Designs to automatically program the Safety PLC • Ability to leverage SIS Test Plans to automatically create Safety PLC application logic Test Plans for a virtual FAT • Ability to tie real-time data from Process Historians / CMMS to assumptions in the PHA / LOPA and SIS Designs to generate leading indicators on protection layer health • Ability to flag SIS bad actors for proactive corrective actions prior to a near miss or loss of containment event What if I told you all of this was available today? This paper will highlight how the digital revolution has revolutionized the way Safety Instrumented Systems are designed, configured, operated and maintained.

Keywords: IEC 61511, safety instrumented systems, functional safety, digitalization, IIoT

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Authors: Farag Ahwide, Souhel Bousheha

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A technical assessment has been made of electricity generation, considering wind turbines ranging between Vestas (V80-2.0 MW and V112-3.0 MW) and the air density is equal to 1.225 Kg/m3, at different towns in Libya. Wind speed might have been measured each 3 hours during 10 m stature at a time for 10 quite sometime between 2000 Furthermore 2009, these towns which are spotted on the bank from claiming Mediterranean ocean also how in the desert, which need aid Derna 1, Derna 2, Shahat, Benghazi, Ajdabya, Sirte, Misurata, Tripoli-Airport, Al-Zawya, Al-Kofra, Sabha, Nalut. The work presented long term "wind data analysis in terms of annual, seasonal, monthly and diurnal variations at these sites. Wind power density with different heights has been studied. Excel sheet program was used to calculate the values of wind power density and the values of wind speed frequency for the stations; their seasonally values have been estimated. Limit variable with rated wind pace to 10 different wind turbines need to be been estimated, which is used to focus those required yearly vitality yield of a wind vitality change framework (WECS), acknowledging wind turbines extending between 600 kW and 3000 kW).

Keywords: energy yield, wind turbines, wind speed, wind power density

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Authors: Yen-Mei Lee

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Mobile learning (m-learning) has been applied in the education field not only because it is an alternative to web-based learning but also it possesses the ‘anytime, anywhere’ learning features. However, most studies focus on the technology-related issue, such as usability and functionality instead of addressing m-learning from the motivational perspective. Accordingly, the main purpose of the current paper is to integrate critical factors from different motivational theories and related findings to have a better understand the catalysts of an individual’s learning motivation toward m-learning. The main research question for this study is stated as follows: based on different motivational perspectives, what factors of applying mobile devices as medium can facilitate people’s learning motivations? Self-Determination Theory (SDT), Uses and Gratification Theory (UGT), Malone and Lepper’s taxonomy of intrinsic motivation theory, and different types of motivation concepts were discussed in the current paper. In line with the review of relevant studies, three motivating factors with five essential elements are proposed. The first key factor is autonomy. Learning on one’s own path and applying personalized format are two critical elements involved in the factor of autonomy. The second key factor is to apply a build-in instant feedback system during m-learning. The third factor is creating an interaction system, including communication and collaboration spaces. These three factors can enhance people’s learning motivations when applying mobile devices as medium toward learning. To sum up, in the currently proposed paper, with different motivational perspectives to discuss the m-learning is different from previous studies which are simply focused on the technical or functional design. Supported by different motivation theories, researchers can clearly understand how the mobile devices influence people’s leaning motivation. Moreover, instructional designers and educators can base on the proposed factors to build up their unique and efficient m-learning environments.

Keywords: autonomy, learning motivation, mobile learning (m-learning), motivational perspective

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Authors: Arcady Ponosov., Ramazan Kadiev

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The work studies the global moment stability of solutions of systems of nonlinear differential Itô equations with delays. A modified regularization method (W-method) for the analysis of various types of stability of such systems, based on the choice of the auxiliaryequations and applications of the theory of positive invertible matrices, is proposed and justified. Development of this method for deterministic functional differential equations is due to N.V. Azbelev and his students. Sufficient conditions for the moment stability of solutions in terms of the coefficients for sufficiently general as well as specific classes of Itô equations are given.

Keywords: asymptotic stability, delay equations, operator methods, stochastic noise

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Authors: Peace Liz Sasha Musonge

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Behavioral aspects of species nutrition such as feeding methods and food type are archetypal biological traits signifying how species have adapted to their environment. This concept of functional feeding groups (FFG) analysis is currently used to ascertain the trophic levels of the aquatic food web in a specific microhabitat. However, in Eastern Africa, information about the FFG classification of benthic macroinvertebrates in highland rivers and streams is almost absent, and existing studies have fragmented datasets. For this reason, we carried out a robust study to determine the feed type, trophic level and FFGs, of 56 macroinvertebrate taxa (identified to family level) from Albertine rift valley streams. Our findings showed that all five major functional feeding groups were represented; Gatherer Collectors (GC); Predators (PR); shredders (SH); Scrapers (SC); and Filterer collectors. The most dominant functional feeding group was the Gatherer Collectors (GC) that accounted for 53.5% of the total population. The most abundant (GC) families were Baetidae (7813 individuals), Chironomidae NTP (5628) and Caenidae (1848). Majority of the macroinvertebrate population feed on Fine particulate organic matter (FPOM) from the stream bottom. In terms of taxa richness the Predators (PR) had the highest value of 24 taxa and the Filterer Collectors group had the least number of taxa (3). The families that had the highest number of predators (PR) were Corixidae (1024 individuals), Coenagrionidae (445) and Libellulidae (283). However, Predators accounted for only 7.4% of the population. The findings highlighted the functional feeding groups and habitat type of macroinvertebrate communities along an altitudinal gradient.

Keywords: trophic levels, functional feeding groups, macroinvertebrates, Albertine rift

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Authors: Selina Schwaabe

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Community pharmacies deliver high-quality health care and are responsible for medication safety. During the pandemic, accessibility to the nearest pharmacy became more essential to get vaccinated against Covid-19 and to get medical aid. The government's goal is to ensure nationwide, reachable, and affordable medical health care services by pharmacies. Therefore, the density of community pharmacies matters. Overall, the density of community pharmacies is fluctuating, with slightly decreasing tendencies in some countries. So far, the literature has shown that changes in the system affect prices and density. However, a European overview of the development of the density of community pharmacies and its triggers is still missing. This research is essential to counteract against decreasing density consulting in a lack of professional health care through pharmacies. The analysis focuses on liberal versus regulated market structures, mail-order prescription drug regulation, and third-party ownership consequences. In a panel analysis, the relative influence of the measures is examined across 27 European countries over the last 21 years. In addition, the paper examines seven selected countries in depth, selected for the substantial variance in their pharmacy system: Germany, Austria, Portugal, Denmark, Sweden, Finland and Poland. Overall, the results show that regulated pharmacy markets have over 10.75 pharmacies/100.000 inhabitants more than liberal markets. Further, mail-order prescription drugs decrease the density by -17.98 pharmacies/100.000 inhabitants. Countries allowing third-party ownership have 7.67 pharmacies/100.000 inhabitants more. The results are statistically significant at a 0.001 level. The output of this analysis recommends regulated pharmacy markets, with a ban on mail-order prescription drugs allowing third-party ownership to support nationwide medical health care through community pharmacies.

Keywords: community pharmacy, market conditions, pharmacy, pharmacy market, pharmacy lobby, prescription, e-prescription, ownership structures

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Authors: Dongkyu Lee, Thanh Banh Thien, Soomi Shin

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In the present study, the isogeometric topology optimization is proposed for cracked structures through using Solid Isotropic Material with Penalization (SIMP) as a design model. Design density variables defined in the variable space are used to approximate the element analysis density by the bivariate B-spline basis functions. The mathematical formulation of topology optimization problem solving minimum structural compliance is an alternating active-phase algorithm with the Gauss-Seidel version as an optimization model of optimality criteria. Stiffness and adjoint sensitivity formulations linked to strain energy of cracked structure are proposed in terms of design density variables. Numerical examples demonstrate interactions of topology optimization to structures design with cracks.

Keywords: topology optimization, isogeometric, NURBS, design

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Authors: L. Freeborn

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This paper discusses the application of complex dynamic system theory (DST) to the study of individual differences in second language development. This transdisciplinary framework allows researchers to view the trajectory of language development as a dynamic, non-linear process. A DST approach views language as multi-componential, consisting of multiple complex systems and nested layers. These multiple components and systems continuously interact and influence each other at both the macro- and micro-level. Dynamic systems theory aims to explain and describe the development of the language system, rather than make predictions about its trajectory. Such a holistic and ecological approach to second language development allows researchers to include various research methods from neurological, cognitive, and social perspectives. A DST perspective would involve in-depth analyses as well as mixed methods research. To illustrate, a neurobiological approach to second language development could include non-invasive neuroimaging techniques such as electroencephalography (EEG) and functional magnetic resonance imaging (fMRI) to investigate areas of brain activation during language-related tasks. A cognitive framework would further include behavioural research methods to assess the influence of intelligence and personality traits, as well as individual differences in foreign language aptitude, such as phonetic coding ability and working memory capacity. Exploring second language development from a DST approach would also benefit from including perspectives from the field of applied linguistics, regarding the teaching context, second language input, and the role of affective factors such as motivation. In this way, applying mixed research methods from neurobiological, cognitive, and social approaches would enable researchers to have a more holistic view of the dynamic and complex processes of second language development.

Keywords: dynamic systems theory, mixed methods, research design, second language development

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Authors: Abdu Umar Adamu, Maimuna Ibrahim

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In this present work, a locally used medicinal plant, namely: Aspillia kotschyi belonging to the Compositae family, was extracted using methanolic and petroleum ether 60-80OC. The extracts were subjected to microwave plasma Atomic Emission Spectroscopy (MPES) to determine the following metals Se, Ag, Fe, Cu, Ni, As, Co, Mn, and Al. From the result, Ag, Cu, Ni, and Co are of very negligible concentrations in the plant extract. However, Seleniun is found to be 0.530 (mg/kg) in the plant methanolic extract. Iron, on the other hand, was found to be 3.712 (mg/kg) in the plant extract. Arsenic was found to be 0.506 and 1.301 (mg/kg) in both methanolic and petroleum spirit extracts of the plant material. The concentration of aluminium was found to be of the range of 3.050mg/kg in the plant. Functional group analysis of the plant extracts was also carried out using Fourier transform infrared (FTIR) spectroscopy which showed the presence of some functional groups. The results of this study suggest some merit in the popular use of the plant in herbal medicine.

Keywords: Aspillia kotschyi, functional group, FTIR, MPES

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Authors: Mao-Sheng Su, Santhanamoorthi Nachimuthu, Jyh-Chiang Jiang

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Climate change is widely recognized as a global crisis, with anthropogenic CO₂ emissions from fossil fuel combustion and industrial processes being major contributors. To address this challenge, carbon capture and sequestration (CCS) technology has emerged as a key strategy for selectively capturing CO₂ from flue gas streams. Among the various solid adsorbents, metal–organic frameworks (MOFs) are notable for their extensive surface area and controllable pore chemistry. The porous MOF structure is comprised of metal ions or clusters coordinated to organic linker compounds. In particular, the pore parameters of MOFs are readily tunable, making them promising materials for CO₂ capture applications. Among these, amine-functionalized MOFs have demonstrated exceptional CO₂ capture abilities because their high uptake capacity and selectivity. In this study, we have investigated the CO₂ capture abilities and adsorption mechanisms of the diamine-appended framework N-Ethylethylenediamine-Mg₂(4,4’-dioxidobiphenyl-3,3’-dicarboxylate) (e-2-Mg₂(dobpdc)) using density functional theory (DFT) calculations. Previous studies have suggested that CO₂ can be captured via both outer- and inner-amine binding sites. Our findings reveal that CO₂ adsorption at the outer amine site is kinetically more favorable compared to the inner amine site, with a lower energy barrier of 1.34 eV for CO₂ physisorption to chemisorption compared to the inner amine, which has an activation barrier of 1.60 eV. Furthermore, we find that CO₂ adsorption is significantly enhanced in an alkaline environment, as deprotonation of the diamine molecule reduces the energy barrier to 0.24 eV. This theoretical study provides detailed insights into CO₂ adsorption in diamine-appended e-2-Mg₂(dobpdc) MOF, offering a deeper understanding of CO₂ capture mechanisms and valuable information for the advancement of effective CO₂ sequestration technologies.

Keywords: DFT, MOFs, CO₂ capture, catalyst

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Authors: Péter Restás, Andrea Czibor, Zsolt Péter Szabó

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Purpose: This article aims to rethink the phenomena of employee behavior as a product of a system. Both organizational culture and Complex Adaptive Systems (CAS) theory emphasize that individual behavior depends on the specific system and the unique organizational culture. These two major theories are both represented in the field of organizational studies; however, they are rarely used together for the comprehensive understanding of workplace behavior. Methodology: By reviewing the literature we use key concepts stemming from organizational culture and CAS theory in order to show the similarities between these theories and create an enriched understanding of employee behavior. Findings: a) Workplace behavior is defined here as social cognition issue. b) Organizations are discussed here as complex systems, and cultures which drive and dictate the cognitive processes of agents in the system. c) Culture gives CAS theory a context which lets us see organizations not just as ever-changing and unpredictable, but as such systems that aim to create and maintain stability by recurring behavior. Conclusion: Applying the knowledge from culture and CAS theory sheds light on our present understanding of employee behavior, also emphasizes the importance of novel ways in organizational research and management.

Keywords: complex adaptive systems theory, employee behavior, organizational culture, stability

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Authors: Jie Ding, Yingying Pan, Shammy Raj, Lindy Schaffrick, Jolene Wong, Antoinette Nguyen, Sharada Manchikanti, Larry Unsworth, Peter Kwan, Edward E. Tredget

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Background: Exosomes (EXOs) have been considered a new target that is thought to be involved in and treat wound healing. More research is needed to fully understand the EXO characteristics and mechanisms of EXO-mediated wound healing, especially wound healing after burn injury. Methods: Total EXOs were isolated from 85 serum samples of 29 burn patients and 13 healthy individuals. We characterized the EXOs for morphology and density, serum concentration, protein level, marker expression, size distribution, and cytokine content. After confirmation of EXO uptake by dermal fibroblasts, we also explored functional regulation of primary human normal skin and hypertrophic scar fibroblast cell lines by the EXOs in vitro, including cell proliferation and apoptosis. Results: EXOs dynamically changed their morphology, density, size, and cytokine level during wound healing in burn patients, which were correlated with burn severity and the stages of wound healing. EXOs from both burn patients and healthy individuals stimulated dermal fibroblast proliferation and apoptosis. Conclusion: EXO features may be important signals that influence wound healing after burn injury; however, to understand the mechanisms by which EXOs regulated the fibroblasts in healing wounds, further studies will be required in the future.

Keywords: exosome, burn, wound healing, hypertrophic scarring, cytokines

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Authors: C. Surmei

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Autism Spectrum Disorder (ASD) is a complex developmental disorder that can affect an individual’s (but is not limited to) cognitive development, emotional development, language acquisition and the capability to relate to others. Ecological Systems Theory is a sociocultural theory that focuses on environmental systems with which an individual interacts. The SCERTS Model is an educational approach and multidisciplinary framework that addresses the challenges confronted by individuals on the autism spectrum and other developmental disabilities. To aid the understanding of ASD and educational philosophies for families, educators, and the global community alike, a Comparative Analysis was undertaken to examine key variables (the child, society, education, nurture/care, relationships, communication). The results indicated that the Ecological Systems Theory and the SCERTS Model were comparable in focus, motivation, and application, attaining to a viable and notable relationship between both theories. This paper unpacks two child development philosophies and their relationship to each other.

Keywords: autism spectrum disorder, ecological systems theory, education, SCERTS model

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Authors: Jairo Alejandro Fernandez Ortega

Abstract:

Objective: Regarding effects of training velocity on strength in the functional condition of older adults controversy exists. The purpose of this study was to examine the effects of a twelve-week strength training program (PE) performed at high speed (GAV) versus a traditionally executed program (GBV), on functional performance, maximum strength and muscle power in a group of older adult women. Methodology: 86 women aged between 60-81 years participated voluntarily in the study and were assigned randomly to the GAV (three series at 40% 1RM at maximum speed, with maximum losses of 10% speed) or to the GBV (three series with three sets at 70% of 1RM). Both groups performed three weekly trainings. The maximum strength of upper and lower limbs (1RM), prehensile strength, walking speed, maximum power, mean propulsive velocity (MPV) and functional performance (senior fitness test) were evaluated before and after the PE. Results: Significant improvements were observed (p < 0.05) in all the tests in the two groups after the twelve weeks of training. However, the results of GAV were significantly (P < 0.05) higher than those of the GBV, in the tests of agility and dynamic equilibrium, stationary walking, sitting and standing, walking speed over 4 and 6 meters, MPV and peak power. In the tests of maximum strength and prehensile force, the differences were not significant. Conclusion: Strength training performed at high speeds seems to have a better effect on functional performance and muscle power than strength training performed at low speed.

Keywords: power training, resistance exercise, aging, strength, physical performance, high-velocity, resistance training

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Authors: L. Ngowi, N. H. Mvungi

Abstract:

This paper critically examines the evolution of socio-technical systems theory, its practices, and challenges in system design and development. It examines concepts put forward by researchers focusing on the application of the theory in software engineering. There are various methods developed that use socio-technical concepts based on systems engineering without remarkable success. The main constraint is the large amount of data and inefficient techniques used in the application of the concepts in system engineering for developing time-bound systems and within a limited/controlled budget. This paper critically examines each of the methods, highlight bottlenecks and suggest the way forward. Since socio-technical systems theory only explains what to do, but not how doing it, hence engineers are not using the concept to save time, costs and reduce risks associated with new frameworks. Hence, a new framework, which can be considered as a practical approach is proposed that borrows concepts from soft systems method, agile systems development and object-oriented analysis and design to bridge the gap between theory and practice. The approach will enable the development of systems using socio-technical systems theory to attract/enable the system engineers/software developers to use socio-technical systems theory in building worthwhile information systems to avoid fragilities and hostilities in the work environment.

Keywords: socio-technical systems, human centered design, software engineering, cognitive engineering, soft systems, systems engineering

Procedia PDF Downloads 286