Search results for: formant transition

Authors: Jannes Quer, Amir Niknejad, Marcus Weber

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Computational Drug Design is often based on Molecular Dynamics simulations of molecular systems. Molecular Dynamics can be used to simulate, e.g., the binding and unbinding event of a small drug-like molecule with regard to the active site of an enzyme or a receptor. However, the time-scale of the overall binding event is many orders of magnitude longer than the time-scale of simulation. Thus, there is a need to speed-up molecular simulations. In order to speed up simulations, the molecular dynamics trajectories have to be ”steared” out of local minimizers of the potential energy surface – the so-called metastabilities – of the molecular system. Increasing the kinetic energy (temperature) is one possibility to accelerate simulated processes. However, with temperature the entropy of the molecular system increases, too. But this kind ”stearing” is not directed enough to stear the molecule out of the minimum toward the saddle point. In this article, we give a new mathematical idea, how a potential energy surface can be changed in such a way, that entropy is kept under control while the trajectories are still steared out of the metastabilities. In order to compute the unsteared transition behaviour based on a steared simulation, we propose to use extrapolation methods. In the end we mathematically show, that our method accelerates the simulations along the direction, in which the curvature of the potential energy surface changes the most, i.e., from local minimizers towards saddle points.

Keywords: extrapolation, Eyring-Kramers, metastability, multilevel sampling

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Authors: Diana Serbezeanu, Ionela-Daniela Carja, Tachita Vlad-Bubulac, Sergiu Sova

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New phosphorus-containing monomers having methoxy end functional groups were prepared from methyl 4-hydroxybenzoate and two different dichlorides with phosphorus, namely phenyl phosphonic dichloride and phenyl dichlorophosphate. The structures of the monomers were confirmed by FTIR and NMR spectroscopy. The assignments for the 1H, 13C and 31P chemical shifts are based on 1D and 2D NMR homo- and heteronuclear correlations (H,H-COSY (Correlation Spectroscopy), H,C-HMQC (Heteronuclear Multiple Quantum Correlation and H,C-HMBC (Heteronuclear Multiple Bond Correlation)) and 31P-13C couplings. The monomers exhibited good solubility in common organic solvents. Dimethyl sulfoxide was to be a good solvent to grow crystals of considerable size which were investigated by X-ray analysis. One of these two new monomers presented thermotropic liquid crystalline behaviour, as revealed by differential scanning calorimetry (DSC), polarized light microscopy (PLM) and X-ray diffraction (XRD). The transition temperature from crystal to liquid crystalline state (K→LC) was 143°C and from the LC to isotropic state (LC→I) was 167°C. Upon heating, bis(4-(methoxycarbonyl)phenyl formed fine textures, difficult to be ascribed to smectic or nematic phases. Upon cooling from the isotropic state, bis(4-(methoxycarbonyl)phenyl exhibited a mosaic-type texture. X-ray diffraction measurements at small angles (SAXS) of bis(4-(methoxycarbonyl)phenyl showed two peaks at 1.8 Å and 3.5 Å, respectively suggesting organization at supramolecular level.

Keywords: phosphorus-containing monomers, polarized light microscopy, structure investigation, thermotropic liquid crystalline properties

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Authors: Olatunbosun Samuel Adekogbe

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This paper addresses the question of musical signification, revolving around nature and its natural divides; the paper tends to examine the roles of the dispositional apparatus of listeners to react to sounding environments through music as coordinated sound that focuses on the powerful strain between vibrational occurrences of sound and potentials of being structured. This paper sets out to examine music as a simple conventional design that does not allude to something beyond music and sound as a vehicle to communicate through production, perception, translation, and reaction with regard to melodic and semiotic functions of sounds. This paper adopts the application of questionnaire and evolutionary approach methods to probe musical adaptation, reproduction, and natural selection as the basis for explaining specific human behavioural responses to musical sense-making beyond the above-sketched dichotomies, with a major focus on the transition from acoustic-emotional sensibilities to musical meaning in the selected soundscapes. It was observed that music has emancipated itself from the level of mere acoustic processing of sounds to a functional description in terms of allowing music users to share experiences and interact with the soundscaping environment. The paper, therefore, concludes that the audience as music participants and listeners in the selected soundscapes have been conceived as adaptive devices in the paradigm shift, which can build up new semiotic linkages with the sounding environments in southwestern Nigeria.

Keywords: semiotics, sound, music, soundscape, environment

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Authors: Serena Clark, Katriona O'Sullivan, Kevin Marshall, Mac MacLachlan

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This paper explores the United Nation's sustainable development goals (SDGs) alongside digital poverty and proposes that digital poverty should be a new SDG. The SDGs concentrate on 17 key areas, including economic growth, reducing inequalities, climate action, ending poverty, gender equality, and quality education. Many of the plans to fulfill these goals involve the creation and adaptation of new technologies. As we have seen with COVID-19, access to these technologies has determined communities and societies' ability to respond to these challenges in both developed and developing nations. For example, the transition to online education due to the lockdowns had a detrimental effect on children who did not have access to technology to provide continuity in their educational development. Digitalization and emerging technologies, especially information and communication technologies (ICTs), can help address each goal. Digital poverty and exclusion exacerbate the gap between rich and poor within our societies and internationally, and COVID-19 has further highlighted these issues. Closing this gap can support achieving the SDGs. If access to digital technologies measure society's response and resilience in addressing the challenges the SDGs seek to resolve, should reducing digital poverty be an SDG of its own? This paper will explore this question, arguing that digital poverty should be an independent SDG working alongside and supporting the achievement of the other 17 SDGs.

Keywords: digital poverty, digital exclusion, United Nations sustainable development goals, information and communication technologies

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Authors: Sanjay P. Gandhi, Sanjay S. Patel

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Dry (CO2) reforming of methane (DRM) is both scientific and industrial importance. In recent decades, CO2 utilization has become increasingly important in view of the escalating global warming phenomenon. This reaction produces syngas that can be used to produce a wide range of products, such as higher alkanes and oxygenates by means of Fischer–Tropsch synthesis. DRM is inevitably accompanied by deactivation due to carbon deposition. DRM is also a highly endothermic reaction and requires operating temperatures of 800–1000 °C to attain high equilibrium conversion of CH4 and CO2 to H2 and CO and to minimize the thermodynamic driving force for carbon deposition. The catalysts used are often composed of transition Methods like Nickel, supported on metallic and non-metallic oxides such as alumina and silica. However, many of these catalysts undergo severe deactivation due to carbon deposition. Noble metals have also been studied and are typically found to be much more resistant to carbon deposition than Ni catalysts, but are generally uneconomical. Noble metals can also be used to promote the Ni catalysts in order to increase their resistance to deactivation. In order to design catalysts that minimize deactivation, it is necessary to understand the elementary steps involved in the activation and conversion of CH4 and CO2. CO2 reforming methane over promoted catalyst was studied. The influence of ZrO2, CeO2 and the behavior of Ni-Al2O3 Catalyst, prepare by wet-impregnation and Co-precipitated method was studied. XRD, BET Analysis for different promoted and unprompted Catalyst was studied.

Keywords: CO2 reforming of methane, Ni catalyst, promoted and unprompted catalyst, effect of catalyst preparation

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Authors: Peikun Zhang, Chunhua Cui

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Photoelectrochemical (PEC) water splitting provides a promising pathway to convert solar energy into renewable fuels. However, the main and seemingly insurmountable obstacle is that the sluggish kinetics of oxygen evolution reaction (OER) severely jeopardizes the overall efficiency, thus exploring highly active, stable, and appreciable catalysts is urgently requested. Herein a competitive coordination strategy was demonstrated to form a reversible hybrid homo-heterogeneous catalyst for efficient OER in alkaline media. The dynamic process involves an in-situ anchoring of soluble nickel–bipyridine pre-catalyst to a conductive substrate under OER and a re-dissolution course under open circuit potential, induced by the competitive coordination between nickel–bipyridine and nickel-hydroxyls. This catalyst allows to elaborately self-modulate a charge-transfer layer thickness upon the catalytic on-off operation, which affords substantially increased active sites, yet remains light transparency, and sustains the stability of over 200 hours of continuous operation. The integration of this catalyst with exemplified state-of-the-art Ni-sputtered Si photoanode can facilitate a ~250 mV cathodic shift at a current density of 20 mA cm-2. This finding helps the understanding of catalyst from a “dynamic” perspective, which represents a viable alternative to address remaining hurdles toward solar-driven water oxidation.

Keywords: molecular catalyst, oxygen evolution reaction, solar energy, transition metal complex, water splitting

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Authors: Dibyendu Das, Santanu Kumar Pal

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Milk protein lactoferrin (Lf) exhibits potent antibacterial activity due to its interaction with Gram-negative bacterial cell membrane component, lipopolysaccharide (LPS). This paper represents fabrication of new Liquid crystals (LCs) based biosensors to explore the interaction between Lf and LPS. LPS self-assembled at aqueous/LCs interface and orients interfacial nematic 4-cyano-4’- pentylbiphenyl (5CB) LCs in a homeotropic fashion (exhibiting dark optical image under polarized optical microscope). Interestingly, on the exposure of Lf on LPS decorated aqueous/LCs interface, an optical image of LCs changed from dark to bright indicating an ordering alteration of interfacial LCs from homeotropic to tilted/planar state. The ordering transition reflects strong binding between Lf and interfacial LPS that, in turn, perturbs the orientation of LCs. With the help of epifluorescence microscopy, we further affirmed the interfacial LPS-Lf binding event by imaging the presence of FITC tagged Lf at the LPS laden aqueous/LCs interface. Finally, we have investigated the conformational behavior of Lf in solution as well as in the presence of LPS using Circular Dichroism (CD) spectroscopy and further reconfirmed with Vibrational Circular Dichroism (VCD) spectroscopy where we found that Lf undergoes alpha-helix to random coil-like structure in the presence of LPS. As a whole the entire results described in this paper establish a robust approach to envisage the interaction between LPS and Lf through the ordering transitions of LCs at aqueous/LCs interface.

Keywords: endotoxin, interface, lactoferrin, lipopolysaccharide

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Authors: Cahit Demetgul, Sahin Bayraktar, Neslihan Beyazit

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Metalloenzymes are enzyme proteins containing metal ions, which are directly bound to the protein or to enzyme-bound nonprotein components. One of the major metalloenzymes that play a key role in oxidation reactions is catechol oxidase, which shows catecholase activity i.e. oxidation of a broad range of catechols to quinones through the four-electron reduction of molecular oxygen to water. Studies on the model compounds mimicking the catecholase activity are very useful and promising for the development of new, more efficient bioinspired catalysts, for in vitro oxidation reactions. In this study, a new tetradentate asymmetrical Schiff-base and its Cu(II) complex were synthesized by condensation of 4-nitro-1,2-phenylenediamine with 6-formyl-7-hydroxy-5-methoxy-2-methylbenzopyran-4-one and by using an appropriate Cu(II) salt, respectively. The prepared compounds were characterized by elemental analysis, FT-IR, NMR, UV-Vis and magnetic susceptibility. The catecholase-mimicking activity of the new Schiff Base Cu(II) complex was performed for the oxidation of 3,5-di-tert-butylcatechol (3,5-DTBC) in methanol at 25 °C, where the electronic spectra were recorded at different time intervals. The yield of the quinone (3,5-DTBQ) was determined from the measured absorbance at 400 nm of the resulting solution. The compatibility of catalytic reaction with Michaelis-Menten kinetics was also investigated. In conclusion, we have found that our new Schiff Base Cu(II) complex presents a significant capacity to catalyze the oxidation reaction of the catechol to o-quinone.

Keywords: catecholase activity, Michaelis-Menten kinetics, Schiff base, transition metals

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Authors: Farnoosh Faal

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Institutional and organizational change in social housing organizations can have a significant impact on both the organizations themselves and their stakeholders. This paper provides an overview of the impact of institutional and organizational change on social housing organizations and their stakeholders, including tenants, employees, and other community members. The paper examines the different types of institutional and organizational change that can occur in social housing organizations, such as changes in management structure, funding models, and service delivery methods. It also explores the potential benefits and drawbacks of these changes, including changes in efficiency, service quality, and tenant satisfaction. The paper further discusses the impact of institutional and organizational change on social housing organization stakeholders, including the effects on employee morale, tenant engagement, and community relationships. The paper highlights the importance of effective stakeholder engagement and communication in ensuring a smooth transition to new organizational models and systems. Finally, the paper discusses the challenges and opportunities presented by institutional and organizational change in social housing organizations and provides recommendations for organizations looking to navigate these changes successfully. These recommendations include prioritizing stakeholder engagement, investing in staff training and development, and maintaining a focus on the needs and priorities of tenants and communities. Overall, this paper emphasizes the importance of considering the impact of institutional and organizational change on social housing organizations and their stakeholders and highlights strategies for managing these changes in a way that maximizes benefits and minimizes negative impacts.

Keywords: social housing organizations, stakeholder engagement, institutional change, challenges, opportunities

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Authors: Ayna Yusubova, Bart Clarysse

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This paper explores role of research institutes in creation of support ecosystem for new technology-based ventures. Previous literature introduced research institutes as part of business and knowledge ecosystem, very few studies are available that consider a research institute as an ecosystem that support high-tech startups at every stage of development. Based on a resource-based view and a stage-based model of high-tech startups growth, this study aims to analyze how a research institute builds a startup support ecosystem by attracting different stakeholders in order to help startups to overcome resource. This paper is based on an in-depth case study of public research institute that focus on development of entrepreneurial ecosystem in a developed region. Analysis shows that the idea generation stage of high-tech startups that related to the invention and development of product or technology for commercialization is associated with a lack of critical knowledge resources. Second, at growth phase that related to market entrance, high-tech startups face challenges associated with the development of their business network. Accordingly, the study shows the support ecosystem that research institute creates helps high-tech startups overcome resource gaps in order to achieve a successful transition from one phase of growth to the next.

Keywords: new technology-based firms, ecosystems, resources, business incubators, research instutes

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Authors: A. Hameed, N. Upreti, P. Srivastava

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Main objective the present study is to investigate microscopic, sub-microscopic, clay mineralogical and geochemical characteristics of three calcic soil profiles from the western Thar Desert for the last 30 ka paleoclimatic information. Thin-sections of the soils show weakly to moderately developed pedofeatures dominated by powdery to well-indurated pedogenic calcium carbonate. Sub-microscopy of the representative calcretes show extensive growth of fibrous palygorskite in pore spaces of micritic and sparitic nodules. XRD of the total clay ( < 2 µm) and fine clay ( < 0.2 µm) fractions of the soils show dominance of smectite, palygorskite, chlorite, mica, kaolinite and small amounts of quartz and feldspar. Formation of the palygorskite is attributed to pedogenic processes associated with Bw, Bss and Bwk horizons during drier conditions over the last 30 ka. Formation of palygorskite was mainly favoured by strongly evaporating percolating water and precipitation of secondary calcite, high pH (9-10), high Mg, Si and low Al activities during pedogenesis. Age estimate and distribution of calcretes, palygorskite, and illuvial features indicate fluctuating monsoonal strength during MIS3-MIS1 stages. The pedogenic features in calcic soils of western Thar suggest relatively arid conditions during MIS3-MIS2 transition and LGM time that changed to relatively wetter conditions during post LGM time and again returned to dry conditions at ~4 ka in MIS1.

Keywords: palygorskite, clay minerals, Thar, aridisol, late quaternary

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Authors: Nicolò Vaiana, Giorgio Serino

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In this paper, an advanced Nonlinear Exponential Model (NEM), able to simulate the uniaxial dynamic behavior of seismic isolators having a continuously decreasing tangent stiffness with increasing displacement in the relatively large displacements range and a hardening or softening behavior at large displacements, is presented. The mathematical model is validated by comparing the experimental force-displacement hysteresis loops obtained during cyclic tests, conducted on a helical wire rope isolator and a recycled rubber-fiber reinforced bearing, with those predicted analytically. Good agreement between the experimental and simulated results shows that the proposed model can be an effective numerical tool to predict the force-displacement relationship of seismic isolation devices within the large displacements range. Compared to the widely used Bouc-Wen model, unable to simulate the response of seismic isolators at large displacements, the proposed one allows to avoid the numerical solution of a first order nonlinear ordinary differential equation for each time step of a nonlinear time history analysis, thus reducing the computation effort. Furthermore, the proposed model can simulate the smooth transition of the hysteresis loops from small to large displacements by adopting only one set of five parameters determined from the experimental hysteresis loops having the largest amplitude.

Keywords: base isolation, hardening behavior, nonlinear exponential model, seismic isolators, softening behavior

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Authors: Arash Sharghi, Irina Dotu

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The developments in the Middle East region have activated the involvement of a numerous diverse state and non-state actors in the regional affairs. The goals, positions, ideologies, different, and even contrast policy behaviors had procured the spreading and continuity of crisis. Non-state actors varying from Islamic organizations to takfiri-terrorist movements on one hand and regional and trans- regional actors, from another side, seek to reach their interests in the power struggle. Here, a research worthy question comes on the agenda: taking into consideration actors’ contradictory interests and constraints what are the regional peace and stability perspectives? Therein, different actors’ aims definition, their actions and behaviors, which affect instability, can be regarded as independent variables; whereas, on the contrary, Middle East peace and stability perspective analysis is a dependent variable. Though, this regional peace and war theory based research admits the significant influence of trans-regional actors, it asserts the roots of violence to derive from region itself. Consequently, hot war and conflict prevention and hot peace assurance in the Middle East region cannot be attained only by demands and approaches of trans-regional actors. Moreover, capacity of trans-regional actors is sufficient only for a cold war or cold peace to be reached in the region. Furthermore, within the framework of current conflict (struggle) between regional actors it seems to be difficult and even impossible to turn the cold war into a cold peace in the region.

Keywords: cold peace, cold war, hot war, Middle East, non-state actors, regional and Great powers, war theory

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Authors: Haggay Etkes

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This study provides evidence for the impact of monthly interviews conducted for the Israeli Labor Force Surveys (LFSs) on estimated flows between labor force (LF) statuses and on coefficients in fixed-effects estimations. The study uses the natural experiment of parallel interviews for the quarterly and the monthly LFSs in Israel in 2011 for demonstrating that the Labor Force Participation (LFP) rate of Jewish persons who participated in the monthly LFS increased between interviews, while in the quarterly LFS it decreased. Interestingly, the estimated impact on the LFP rate of self-reporting individuals is 2.6–3.5 percentage points while the impact on the LFP rate of individuals whose data was reported by another member of their household (a proxy), is lower and statistically insignificant. The relative increase of the LFP rate in the monthly survey is a result of a lower rate of exit from the LF and a somewhat higher rate of entry into the LF relative to these flows in the quarterly survey. These differing flows have a bearing on labor search models as the monthly survey portrays a labor market with less friction and a “steady state” LFP rate that is 5.9 percentage points higher than the quarterly survey. The study also demonstrates that monthly interviews affect a specific group (45–64 year-olds); thus the sign of coefficient of age as an explanatory variable in fixed-effects regressions on LFP is negative in the monthly survey and positive in the quarterly survey.

Keywords: measurement error, surveys, search, LFSs

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Authors: Rachael Olatoun Okunuga

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Developing young people’s employability is a key policy issue for ensuring their successful transition to the labour market and their access to career oriented employment. The youths of today irrespective of their gender need to acquire the knowledge, skills and attitudes that will enable them to create or find jobs as well as cope with unpredictable labour market changes throughout their working lives. In a study carried out to determine the influence of gender on job-competencies requirements of chemical-based industries and undergraduate-competencies acquisition by chemists working in the industries, all chemistry graduates working in twenty (20) chemical-based industries that were randomly selected from six sectors of chemical-based industries in Lagos and Ogun States of Nigeria were administered with Job-competencies required and undergraduate-competencies acquired assessment questionnaire. The data were analysed using means and independent sample t-test. The findings revealed that the population of female chemists working in chemical-based industries is low compared with the number of male chemists; furthermore, job-competencies requirements are found not to be gender sensitive while there is no significant difference in undergraduate-competencies acquisition of male and female chemists. This suggests that females should be given the same opportunity of employment in chemical-based industries as their male counterparts. The study also revealed the level of acquisition of undergraduate competencies as related to the needs of chemical-based industries.

Keywords: knowledge, skill, attitude, acquired, required, employability

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Authors: Md. Shafiullah

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This study delves into the evolving landscape of urban childcare in Bangladesh, focusing on the experiences and challenges faced by parents in Dhaka city. This paper argues that the traditional childcare arrangement of city families is inadequate to meet the development needs of children. The study aims to explore the childcare challenges faced by urban parents as they transition from traditional family-based childcare networks to alternative caregiving arrangements amidst urbanization, economic shifts, and social transformations. Utilizing a mixed-method research approach, combining quantitative surveys (n = 200) and four qualitative interviews, the research examines the parental viewpoints on childcare practices and the role of societal norms and values. The study finds childcare crises in both the family and daycare settings. In family care, caregiving suffers from the less availability of grandparents, a lack of skills of caregivers, and a lack of child interaction. As for the daycare, it is affected by the absence of appropriate policies, a lack of quality, health and safety concerns, affordability issues, and cultural concerns. Additionally, the study highlights inadequacies in childcare policies and regulatory frameworks, calling for comprehensive reforms to address the childcare vacuum in urban areas. By shifting the focus from developed to developing countries, this study contributes to the literature and suggests policy implications for Bangladesh and beyond.

Keywords: childcare, child development, childcare policy, daycare, Bangladesh

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Authors: Chien-Kuo Chang, You-Syuan Wu, Min-Chiu Wu, Bharath-Kumar Boyanapalli

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The electrical treeing mechanism in epoxy resin insulation is a critical area of study concerning the degradation of high-voltage electrical equipment. In this study, we conducted pressure-induced degradation experiments on epoxy resin specimens using a needle-plane electrode structure to simulate electrical treeing. The specimens featured two different defect spacings, allowing for detailed observation facilitated by time-lapse photography. Our investigation revealed four distinct stages of insulation degradation: initial dark tree growth, filamentary tree growth, reverse tree growth, and eventual insulation breakdown. The initial dark treeing stage, though shortest in duration, exhibited a thicker main branch and shorter branching, ceasing upon the appearance of filamentary treeing. Filamentary treeing manifested in two forms: dark filamentary treeing during the resin's glassy state, characterized by branching structures, and fuzzy filamentary treeing during the rubbery state, resembling white feathers. The channels formed by filamentary treeing were observed to be as narrow as a few micrometers and continued to grow until the end of the experiment. Additionally, the transition to reverse treeing occurred when filamentary treeing reached the ground electrode, with the earliest manifestation being growth from the ground electrode towards the high-voltage end.

Keywords: epoxy resin insulation, high-voltage equipment, electrical treeing mechanism

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Authors: Rudolf Egger

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This article shows some results of an ongoing project in Kosova. This project deals with the meaning of social transformation processes in the life-courses of Kosova people. One goal is to create an oral history archive in this country. In the last seven years we did some interpretative work (using narrative interviews) concerning the experiences and meanings of social changes from the perspective of life course. We want to reconstruct the individual possibilities in creating one's life in new social structures. After the terrible massacres of ethnical-territorially defined nationalism in former Yugoslavia it is the main focus to find out something about the many small daily steps which must be done, to build up a kind of “normality” in this country. These steps can be very well reconstructed by narrations, by life stories, because personal experiences are naturally linked with social orders. Each individual story is connected with further stories, in which the collective history will be negotiated and reflected. The view on the biographical narration opens the possibility to analyze the concreteness of the “individual case” in the complexity of collective history. Life stories contain thereby a kind of a transition character, that’s why they can be used for the reconstruction of periods of political transformation. For example: In the individual story we can find very clear the national or mythological character of the Albanian people in Kosova. The shown narrations can be read also as narrative lines in relation to the (re-)interpretation of the past, in which lived life is fixed into history in the so-called collective memory in Kosova.

Keywords: biographical learning, adult education, social change, post war societies

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Authors: Deva Kanta Phukan

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An investigation is made to carry out to study the thermal-diffusion and diffusion thermo-effects in hydro-magnetic unsteady flow by a mixed convection boundary layer past an impermeable vertical stretching sheet embedded in a conducting fluid-saturated porous medium in the presence of a chemical reaction effect. The velocity of stretching surface, the surface temperature and the concentration are assumed to vary linearly with the distance along the surface. The governing partial differential equations are transformed in to self similar unsteady equations using similarity transformations and solved numerically by the Runge kutta fourth order scheme in association with the shooting method for the whole transient domain from the initial state to the final steady state flow. Numerical results for the velocity, temperature, the concentration, the skin friction , and the Nusselt and Sherwood numbers are shown graphically for various flow parameters. The results reveal that there is a smooth transition of flow from unsteady state to the final steady state. A special case of our results is in good agreement with an earlier published work.

Keywords: heat and mass transfer, boundary layer flow, porous media, magnetic field, Soret number, Dufour’s number

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Authors: Muhammad Alif Bin Razali, Cheng-Gang Xie, Wai Lam Loh

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A venturi device is commonly used as an integral part of a multiphase flowmeter (MPFM) in real-time oil-gas production monitoring. For an accurate determination of individual phase fraction and flowrate, a gas-liquid flow ideally needs to be well mixed in the venturi measurement section. Partial flow mixing is achieved by installing a venturi vertically downstream of the blind-tee pipework that ‘homogenizes’ the incoming horizontal gas-liquid flow. In order to study in-depth the flow-mixing effect of the blind-tee, gas-liquid flows are captured at blind-tee and venturi sections by using a high-speed video camera and a purpose-built transparent test rig, over a wide range of superficial liquid velocities (0.3 to 2.4m/s) and gas volume fractions (10 to 95%). Electrical capacitance sensors are built to measure the instantaneous holdup (of oil-gas flows) at the venturi inlet and throat. Flow regimes and flow (a)symmetry are investigated based on analyzing the statistical features of capacitance sensors’ holdup time-series data and of the high-speed video time-stacked images. The perceived homogenization effect of the blind-tee on the incoming intermittent horizontal flow regimes is found to be relatively small across the tested flow conditions. A horizontal (blind-tee) to vertical (venturi) flow-pattern transition map is proposed based on gas and liquid mass fluxes (weighted by the Baker parameters).

Keywords: blind-tee, flow visualization, gas-liquid two-phase flow, MPFM

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Authors: Karthika Chandran, Pulkit Prakash, Amitabh Das, Santhosh P. N.

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Rare earth orthoferrites (RFeO₃) exhibit interesting and useful magnetic properties like multiferroicity, magnetodielectric coupling, spin reorientation (SR) and exchange bias. B site doped RFeO₃ are attracting attention due to the complex and tuneable magnetic transitions. In this work, 45% Mn-doped HoFeO₃ polycrystalline sample (HoFe₀.₅₅Mn₀.₄₅O₃) was synthesized by a solid-state reaction method. The magnetic structure and transitions were studied by magnetization measurements and neutron powder diffraction methods. The neutron diffraction patterns were taken at 13 different temperatures from 7°K to 300°K (7°K and 25°K to 300°K in 25°K intervals). The Rietveld refinement was carried out by using a FULLPROF suite. The magnetic space groups and the irreducible representations were obtained by SARAh module. The room temperature neutron diffraction refinement results indicate that the sample crystallizes in an orthorhombic perovskite structure with Pnma space group with lattice parameters a = 5.6626(3) Ǻ, b = 7.5241(3) Ǻ and c = 5.2704(2) Ǻ. The temperature dependent magnetization (M-T) studies indicate the presence of two magnetic transitions in the system ( TN Fe/Mn~330°K and TSR Fe/Mn ~290°K). The inverse susceptibility vs. temperature curve shows a linear behavior above 330°K. The Curie-Weiss fit in this region gives negative Curie constant (-34.9°K) indicating the antiferromagnetic nature of the transition. The neutron diffraction refinement results indicate the presence of mixed magnetic phases Γ₄(AₓFᵧG

Keywords: neutron powder diffraction, rare earth orthoferrites, Rietveld analysis, spin reorientation

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Authors: Li-Ting Chen, Chih-Tao Cheng, I-Ping Huang, Jen-Ho Chang, Nien-Tzu Chang, Fei-Hsiu Hsiao

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Background: Insecurity adult attachment style may be triggered by cancer threat, which in turn influences depression symptoms. Dispositional mindfulness may have benefits of insecure attachment on depression for colorectal patient transfer to survivor. Objective: This study examined the mediating and moderating effects of quality of life (QOL) and dispositional mindfulness on the relationship between insecure attachment style and depression symptoms. Methods: A cross-sectional study design was used. Data were collected using the QOL functional and symptoms (EORTC-C30 and EORTC CR29), dispositional mindfulness (FFMQ), Short form of Experience in Close Relationships Revised Questionnaire (SF-ECRRQ), and depressive symptoms (BDI-II scale). Results: Of the 90 CRC survivors who participated, the indirect effect of both ECR anxiety (β=0.23, CI=0.05-0.44) and ECR avoidance (β=0.12, CI=0.02-0.24) on depression were significantly mediated through EORTC-C29 colorectal symptoms. Three components of dispositional mindfulness (i.e., acting of awareness, non-judging, non-reactivity) as the moderator in the relationship between ECR anxiety and depressive symptoms. Acting of awareness was a moderator in the relationship between ECR avoidance and depressive symptoms. Conclusions: There are two pathways from insecure attachment to depression: through the mediator of colorectal symptoms and the moderator of dispositional mindfulness. Cancer symptom management and mindfulness practices could improve the impact of insecure attachment on depression among CRC patients in a post-treatment transition period.

Keywords: acting of awareness, attachment style, colorectal cancer, disposisitonal mindfulness, depression

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Authors: Ahmed Raza Khan

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Local-strain engineering is an exciting approach to tune the optoelectronic properties of materials and enhance the performance of devices. Two dimensional (2D) materials such as 2D transition metal dichalcogenides (TMDCs) are particularly well-suited for this purpose because they have high flexibility and can withstand high deformations before rupture. Wrinkles on thick TMDC layers have been reported to show the interesting photoluminescence enhancement due to bandgap modulation and funneling effect. However, the wrinkles in ultrathin TMDCs have not been investigated, because the wrinkles can easily fall down to form folds in these ultrathin layers of TMDCs. Here, we have achieved both wrinkle and fold nano-structures simultaneously on 1-3L WS₂ using a new fabrication technique. The comparable layer dependent reduction in surface potential is observed for both folded layers and corresponding perfect pack layers due to the dominant interlayer screening effect. The strains produced from the wrinkle nanostructures considerably vary semi conductive junction properties. Thermo-ionic modelling suggests that the strained (1.6%) wrinkles can lower the Schottky barrier height (SBH) by 20%. The photo-generated carriers would further significantly lower the SBH. These results present an important advance towards controlling the optoelectronic properties of atomically thin WS₂ using strain engineering, with important implications for practical device applications.

Keywords: strain engineering, folding, WS₂, Kelvin probe force microscopy, KPFM, surface potential, photo current, layer dependence

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Authors: Anton A. Bykov, Irina O. Glot, Igor N. Shardakov, Alexey P. Shestakov

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This paper presents the results of experimental and theoretical investigations of the mechanisms of crack formation in reinforced concrete beams subjected to quasi-static bending. The boundary-value problem has been formulated in the framework of brittle fracture mechanics and has been solved by using the finite-element method. Numerical simulation of the vibrations of an uncracked beam and a beam with cracks of different size serves to determine the pattern of changes in the spectrum of eigenfrequencies observed during crack evolution. Experiments were performed on the sequential quasistatic four-point bending of the beam leading to the formation of cracks in concrete. At each loading stage, the beam was subjected to an impulse load to induce vibrations. Two stages of cracking were detected. At the first stage the conservative process of deformation is realized. The second stage is an active cracking, which is marked by a sharp change in eingenfrequencies. The boundary of a transition from one stage to another is well registered. The vibration behavior was examined for the beams strengthened by carbon-fiber sheet before loading and at the intermediate stage of loading after the grouting of initial cracks. The obtained results show that the vibrodiagnostic approach is an effective tool for monitoring of cracking and for assessing the quality of measures aimed at strengthening concrete structures.

Keywords: crack formation, experiment, mathematical modeling, reinforced concrete, vibrodiagnostics

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Authors: Abdulrahman Nami Almutairi

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In the face of escalating climate change concerns, the concept of smart cities emerges as a promising approach to mitigate carbon emissions and move towards carbon neutrality. This paper provides a comprehensive review of the role of Natural Gas in achieving carbon neutrality. Natural gas has often been seen as a transitional fuel in the context of reducing carbon emissions. Its main role stems from being cleaner than coal and oil when burned for electricity generation and industrial processes. The urgent need to address this global issue has prompted a global shift towards cleaner energy sources and sustainable practices. In this endeavor, natural gas has emerged as a pivotal player, hailed for its potential to mitigate carbon emissions, and facilitate the transition to a low-carbon economy. With its lower carbon intensity compared to conventional fossil fuels, natural gas presents itself as a promising alternative for meeting energy demands while reducing environmental impact. As the world stands at a critical juncture in the fight against climate change, exploring the potential of natural gas as a transitional fuel offers insights into pathways towards a more sustainable and resilient future. By critically evaluating its opportunities and challenges, we can harness the potential of natural gas as a transitional fuel while advancing towards a cleaner, more resilient energy system. Through collaborative efforts and informed decision-making, we can pave the way for a future where energy is not only abundant but also environmentally sustainable and socially equitable.

Keywords: natural gas, clean fuel, carbon emissions, global warming, environmental protection

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Authors: Saleh O. Allehabi, V. A. Dzubaa, V. V. Flambaum, Jiguang Li, A. V. Afanasjev, S. E. Agbemava

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Recently developed versions of the configuration method for open shells, configuration interaction with perturbation theory (CIPT), and configuration interaction with many-body perturbation theory (CI+MBPT) techniques are used to study the electronic structure of Er, Fm, and No atoms. Excitation energies of odd states connected to the even ground state by electric dipole transitions, the corresponding transition rates, isotope shift, hyperfine structure, ionization potentials, and static scalar polarizabilities are calculated. The way of extracting parameters of nuclear charge distribution beyond nuclear root mean square (RMS) radius, e.g., a parameter of quadrupole deformation β, is demonstrated. In nuclei with spin > 1/2, parameter β is extracted from the quadrupole hyperfine structure. With zero nuclear spin or spin 1/2, it is impossible since quadrupole zero, so a different method was developed. The measurements of at least two atomic transitions are needed to disentangle the contributions of the changes in deformation and nuclear RMS radius into field isotopic shift. This is important for testing nuclear theory and for searching for the hypothetical island of stability. Fm and No are heavy elements approaching the superheavy region, for which the experimental data are very poor, only seven lines for the Fm element and one line for the No element. Since Er and Fm have similar electronic structures, calculations for Er serve as a guide to the accuracy of the calculations. Twenty-eight new levels of Fm atom are reported.

Keywords: atomic spectra, electronic transitions, isotope effect, electron correlation calculations for atoms

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Authors: Robert Lindner

Abstract:

In recent years a multitude of international efforts, including the United Nations’ aspirational 2030 Agenda for Sustainable Development, provided a new momentum to facilitate energy access and rural electrification projects to combat energy poverty in developing states in Asia. Rural electrification projects promise to facilitate other sustainable development aims, such as the empowerment of local communities through the creation of economic opportunities or increased disaster resilience. This study applies a multi-governance research framework to study the cases of the ongoing energy system transition in Myanmar and Cambodia. It explores what impact the international aid community, especially multilateral development banks and international development agencies, has on the governance of the transitions and how diverging aid donor interest shape policy making and project planning. The study is based on policy analysis and expert interviews, as well as extensive field research. It critically examines the current development trajectories and the strategies of the stakeholders involved. It concludes that institutional and technological competition between donors, as well as a lack of transparency and inclusion in the project planning and implementation phases, contributes to insufficient coordination in national energy policy making and project implementation at the local level. The study further discusses possible alternative approaches that might help to promote the spread of sustainable energy technologies.

Keywords: energy governance, developing countries, multi-level governance, energy transitions

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Authors: Wassima El Mofid, Svetlozar Ivanov, Andreas Bund

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The increasing requirements for high power and energy lithium ion batteries have led to the development of several classes of positive electrode materials. Among those one promising material is LiNixMnyCo1−x−yO2 due to its high reversible capacity and remarkable cycling performance. Further structural stabilization and improved electrochemical performance of this class of cathode materials can be achieved by cationic substitution to a transition metal such as Al, Mg, Cr, etc. The current study discusses a novel NMC type material obtained by simultaneous cationic substitution of the cobalt which is a toxic element, with aluminum and iron. A compound with the composition LiNi0.6Mn0.2Co0.15Al0.025Fe0.025O2 (NMCAF) was synthesized by the self-combustion method using sucrose as fuel. The material has a layered α-NaFeO2 type structure with a good hexagonal ordering. Rietveld refinement analysis of the XRD patterns revealed a very low cationic mixing compared to the non-substituted material LiNi0.6Mn0,2Co0.2O2 suggesting a structural stabilization. Galvanostatic cycling measurements indicate improved electrochemical performance after the metal substitution. An initial discharge capacity of about 190 mAh.g−1 at slow rate (C/20), and a good cycling stability even at moderately faster rates (C/5 and C) have been observed. The long term cycling displayed a capacity retention of about 90% after 10 cycles.

Keywords: cationic substitution, lithium ion batteries, positive electrode material, self-combustion synthesis method

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Authors: Muhammad Habib, Xuefan Zhou, Lin Tang, Guoliang Xue, Fazli Akram, Dou Zhang

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Defect engineering approach is a well-established approach for the customization of functional properties of perovskite ceramics. In modern technology, the high multiferroic properties for elevated temperature applications are greatly demanding. In this work, the Bi-nonstoichiometric lead-free 0.67Biy-xSmxFeO3-0.33BaTiO3 ceramics (Sm-doped BF-BT for Bi-excess; y = 1.03 and Bi-deficient; y = 0.975 with x = 0.00, 0.04 and 0.08) were design for the high-temperature multiferroic property. Enhanced piezoelectric (d33  250 pC/N and d33* 350 pm/V) and magnetic properties (Mr  0.25 emu/g) with a high Curie temperature (TC  465 ℃) were obtained in the Bi-deficient pure BF-BT ceramics. With Sm-doping (x = 0.04), the TC decrease to 350 ℃ a significant improvement occurred in the d33* to 504 pm/V and 450 pm/V for Bi-excess and Bi-deficient compositions, respectively. The structural origin of the enhanced piezoelectric strain performance is related to the soft ferroelectric effect by Sm-doping and reversible phase transition from the short-range relaxor ferroelectric state to the long-range order under the applied electric field. However, a slight change occurs in the Mr 0.28 emu/g value with Sm-doping for Bi-deficient ceramics, whereas the Bi-excess ceramics shows completely paramagnetic behavior. Hence, the origin of high magnetic properties in the Bi-deficient BF-BT ceramics is mainly attributed to the proposed double exchange mechanism. We believe that this strategy will provide a new perspective for the development of lead-free multiferroic ceramics for high-temperature applications.

Keywords: BiFeO3-BaTiO3, lead-free piezoceramics, magnetic properties, defect engineering

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Authors: Rajvir Kaur, Jeewani Anupama Ginige

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With recent trends in Big Data and advancements in Information and Communication Technologies, the healthcare industry is at the stage of its transition from clinician oriented to technology oriented. Many people around the world die of cancer because the diagnosis of disease was not done at an early stage. Nowadays, the computational methods in the form of Machine Learning (ML) are used to develop automated decision support systems that can diagnose cancer with high confidence in a timely manner. This paper aims to carry out the comparative evaluation of a selected set of ML classifiers on two existing datasets: breast cancer and cervical cancer. The ML classifiers compared in this study are Decision Tree (DT), Support Vector Machine (SVM), k-Nearest Neighbor (k-NN), Logistic Regression, Ensemble (Bagged Tree) and Artificial Neural Networks (ANN). The evaluation is carried out based on standard evaluation metrics Precision (P), Recall (R), F1-score and Accuracy. The experimental results based on the evaluation metrics show that ANN showed the highest-level accuracy (99.4%) when tested with breast cancer dataset. On the other hand, when these ML classifiers are tested with the cervical cancer dataset, Ensemble (Bagged Tree) technique gave better accuracy (93.1%) in comparison to other classifiers.

Keywords: artificial neural networks, breast cancer, classifiers, cervical cancer, f-score, machine learning, precision, recall

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