Search results for: Density Functional Theory (DFT)

Authors: Jayanta K. Behera, Ashwini K. Sinha

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The study has pointed out the relationship of energetic particle precipitation (EPP) during high speed solar wind streams (HSS) to the ionization characteristics and subsequent NOx production in the polar atmosphere. Over the last few decades, it has been shown that production of NOx in the mesosphere region during the precipitation of charged particles (with energy range >30 KeV to 1 MeV) is directly related to the ozone loss in the polar middle atmosphere, extending from mesosphere to upper stratosphere. This study has dealt with the analysis of the interplanetary parameters such as interplanetary magnetic field (IMF), solar wind velocity (Vs), charged particle density (Ns), convection field enhancement (Ec) during such HSS events and their link to the rate of production of NOx in the mesosphere. Moreover, the analysis will be used to validate or, to modify the current ion-chemistry models which describe the ionization rate and NOx production in the polar atmosphere due to EPP.

Keywords: energetic particle precipitation (EPP), NOx, ozone depletion, polar vortex

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Authors: U. Farooq, A. Samson, V. Thangadurai, R. Edwards

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In recent years, an impressive research has been conducted to introduce the solid-state electrolytes for the future energy storage devices like Li-ion batteries more specifically. In this work we tried to prepare a ceramic electrolyte (Li6.5 La2.5 Ba0.5 Nb Zr O12(LLBNZO)) and sintered the pallets of as-prepared material at elevated temperature like 1050, 1100, 1150 and 1200 °C. The objective to carry out this research was to observe the effect of temperature on porosity, density and transport properties of materials. Preliminary results suggest that the material sintered at higher temperature could show enhanced performance in terms of fast ionic transport. This enhancement in performance can be attributed to low porosity of materials which is result of high temperature sintering.

Keywords: solid state battery, electrolyte, garnet structures, Li-ion battery

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Authors: Prachi Abhishek Dave, Manisha Singh

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Purpose: The purpose is to study the microbiological profile, prognostic factors, and outcomes of surgery for microbial keratitis (MK) associated endophthalmitis. Methods: It is a retrospective analysis of 39 MK associated endophthalmitis cases which underwent combined PKP with VR surgery. Results: The majority (84.6%) of patients had a history of previous ocular surgery, cataract surgery being the most common (51.2%). Six patients had a history of trauma and 8 patients had corneal graft infection. The culture positivity rate was 92.3%. Organisms isolated were Streptococcal sp (20.5%), Pseudomonas (15.3%), Staphylococcal sp (12.8%) and Fungus (35.8%). Final visual acuities ranged from NPL to 20/120. Poor anatomic success was seen in 15(38.46%) eyes (9-phthisis, 6-eviscerated). Fungal cases had a poor success rate (P-0.02). Conclusion: MK associated endophthalmitis is a sight threatening ocular condition. Fungal etiology carries a poorer prognosis. Timely surgical intervention can achieve favourable anatomical and functional results.

Keywords: endophthalmitis, microbial keratitis, penetrating keratoplasty, vitreo retinal surgery

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Authors: Debora Caetano Dahas

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In ‘Ethics’ and in ‘A Political Treatise’ Spinoza presents his very influential take on natural law and the principles that guide his philosophical work and observations. Spinoza’s ideas about rationalization, God, and ethical behavior are undeniably relevant to many debates in the field of legal theory. In addition, it is important to note that Spinoza's takes on body, mind, and imagination played an important role in building a certain way of understanding the female figure in western societies and of their differences in regards to the male figure. It is important to emphasize that the constant and insistent presentation of women as inferior and irrational beings corroborates the institutionalization of discriminatory public policies and practices legitimized by the legal system that cooperates with the aggravation of gender inequalities. Therefore, his arguments in relation to women and their nature have been highly criticized, especially by feminist theorists during the second half of the 21st century. The questioning of this traditional philosophy –often phallocentric– and its way of describing women as irrational and less capable than men, as well as the attempt to reformulate postulates and concepts, takes place in such a way as to create a deconstruction of classical concepts. Some of the arguments developed by Spinoza, however, can serve as a basis for elucidating in what way and to what extent the social and political construction of the feminine identity served as a basis for gender inequality. Thus, based on to the observations elaborated by Moira Gantes, the present research addresses the relationship between Spinoza and the feminist demands in the juridical and political spheres, elaborating arguments that corroborate the convergence between his philosophy and feminist critical theory. Finally, this research aims to discuss how the feminists' critics of Spinoza’s writings have deconstructed and rehabilitated his principles and, in doing so, can further help to illustrate the importance of his philosophy –and, consequently, of his notes on Natural Law– in understanding gender equality as a vital part of the effective implementation of democratic debate and inclusive political participation and representation. In doing so, philosophical and legal arguments based on the feminist re-reading of Spinoza’s principles are presented and then used to explain the controversial political reform in Brazil, especially in regards to the applicability of the legislative act known as Law n. 9.504/1997 which establishes that at least 30% of legislative seats must be occupied by women.

Keywords: natural law, feminism, politics, gender equality

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Authors: Juan M. Rodriguez-Diaz

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The precision of parameter estimators in the Gaussian linear model is traditionally accounted by the variance-covariance matrix of the asymptotic distribution. However, this measure can underestimate the true variance, specially for small samples. Traditionally, optimal design theory pays attention to this variance through its relationship with the model's information matrix. For this reason it seems convenient, at least in some cases, adapt the optimality criteria in order to get the best designs for the actual variance structure, otherwise the loss in efficiency of the designs obtained with the traditional approach may be very important.

Keywords: correlated observations, information matrix, optimality criteria, variance-covariance matrix

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Authors: Minhae Shim Roth

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The “Deinstitutionalization movement” refers to the spatial transition in the United States during the mid-20th century when the treatment of mental illness purportedly moved from long-term psychiatric institutions to community integrated care. Contrary to the accepted narrative of mental health care in the U.S., asylums did not close or empty. Some remained psychiatric hospitals, which came to be called forensic hospitals or state hospitals; others were converted into prisons or carceral institutions. During Deinstitutionalization, the asylum system became an appendage of the carceral system, with state hospitals becoming little more than holding centers for prisoners who were civilly committed, those incompetent to stand trial, offenders with mental health issues, and those found not guilty by reason of insanity. Psychiatric patients who became prisoners and prisoners who became patients became entangled in the phenomenon called transinstitutionalization. This paper investigates the relationship between psychiatric and criminal incarceration in 20th century California and focuses particularly on the case of Korean-American Chol Soo Lee, who fought detention in the psychiatric-prison system through the writ of habeas corpus. This study uses methodologies like critical theory, close reading, and archival research. This paper argues that during his psychiatric hospitalization at Napa State Hospital and incarceration in the California Department of Corrections, Lee underwent what sociologist Erving Goffman coined in his 1960 text Asylums as the process of “mortification.” After a burst of Asian American solidarity and legal aid that resulted in Lee’s triumphant release from Death Row in 1983 through a writ of habeas corpus, Lee struggled in the free world due to the long-lasting consequences of institutionalization, which led to alienation, recidivism, and an early death at the age of 62. This paper examines the trajectory of Lee’s trial and the legal activism behind it within the context of Goffman’s theory of total institutions and offer a nuanced reading of Lee’s case both during and after his incarceration.

Keywords: criminal justice, criminal law, law and mental capacity, habeas corpus, deinstitutionalization, mental health

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Authors: Radia Chemlal, Youcef Hamidi, Nabil Mameri

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This study deals with the production of biosurfactant by the Pseudomonas luteola strain on three different culture media (semi-synthetic medium M1, whey, and pharmaceutical reject) in the presence of gasoil. The monitoring of bacterial growth by measuring the optical density at 600 nm by spectrophotometer and the surface tension clearly showed the ability of Pseudomonas luteola to produce biosurfactants at various conditions of the culture medium. The biosurfactant produced in the pharmaceutical reject medium generated a decrease in the surface tension with a percentage of 19.4% greater than the percentage obtained when using whey which is 7.0%. The pharmaceutical rejection is diluted at various percentages ranging from 5% to 100% in order to study the effect of the concentration on the biosurfactant production. The best result inducing the great reduction of the surface tension value is obtained at the dilution of 30% with the pharmaceutical reject.

Keywords: biosurfactant, pseudomonas luteola, whey, antiscorpionic serum, gas oil

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Authors: Hariti Rafika, Fekih Malika, Saighi Mohamed

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During the period storage of liquefied natural gas, stability is necessarily affected by natural convection along the walls of the tank with thermal insulation is not perfectly efficient. In this paper, we present the numerical simulation of heat transfert by natural convection double diffusion,in unsteady laminar regime in a storage tank. The storage tank contains a liquefied natural gas (LNG) in its gaseous phase. Fluent, a commercial CFD package, based on the numerical finite volume method, is used to simulate the flow. The gas is just on the surface of the liquid phase. This numerical simulation allowed us to determine the temperature profiles, the stream function, the velocity vectors and the variation of the heat flux density in the vapor phase in the LNG storage tank volume. The results obtained for a general configuration, by numerical simulation were compared to those found in the literature.

Keywords: numerical simulation, natural convection, heat gains, storage tank, liquefied natural gas

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Authors: Osman Kök, İlhami̇ Tüzün, Yaşar Aluç

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This study was conducted to explore the effect of direct current (DC) applications on the growth of microalgae Chlorella vulgaris KKU71, isolated from highly saline freshwater. Experiments were implemented based upon the cross-combinations of both the intensity and duration of electric applications, generating a full factorial design of 10V, 20V, 30V, and 5s, 30s, 60s, respectively. Growth parameters of cultures were monitored on Optical Density (OD), Cell Count (CC), Chlorophyll-a, b (Chl-a, b), and Total Carotenoids (TCar). All DC-assisted treatments stimulated the growth and thus led to higher values of growth parameters such as OD, CC, Chl-a, and TCar. Monotonically increasing with the intensity and duration of DC applications, wet and dry biomass yields of the harvested algae reached their highest level at 30V-60s in all sets of treatments. In addition, this increase between DC applications was listed as C(control)<10V<20V<30V and C<5s<30s<60s. As a result, direct current applications increased the biomass.

Keywords: Chlorella Vulgaris, direct current, growth, biomass

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Authors: Joanne Danker, Iva Strnadová, Therese Cumming

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As a consequence of the increased evidence of the bi-directional relationship between student well-being and positive educational outcomes, there has been a surge in the number of research studies dedicated to understanding the notion of student well-being and the ways to enhance it. In spite of these efforts, the concept of student well-being remains elusive. Additionally, studies on student well-being mainly consulted adults' perspectives and failed to take into account students' views, which if considered, could contribute to a clearer understanding of the complex concept of student well-being. Furthermore, there is a lack of studies focusing on the well-being of students with autism spectrum disorder (ASD), and these students continue to fare worse in post-school outcomes as compared to students without disabilities, indicating a significant gap in the current research literature. Findings from research conducted on students without disabilities may not be applicable to students with ASD as their educational experiences may differ due to the characteristics associated with ASD. Thus, the purpose of this study was to explore how students with ASD, their parents, and teachers conceptualise student well-being. It also aims to identify the barriers and assets of the well-being of these students. To collect data, 19 teachers and 11 parents participated in interviews while 16 high school students with ASD were involved in a photovoice project regarding their well-being in school. Grounded theory approaches such as open and axial coding, memo-writing, diagramming, and making constant comparisons were adopted to analyse the data. All three groups of participants conceptualised student well-being as a multidimensional construct consisting of several domains. These domains were relationships, engagement, positive/negative emotions, and accomplishment. Three categories of barriers were identified. These were environmental, attitudes and behaviours of others, and impact of characteristics associated with ASD. The identified internal assets that could contribute to student well-being were acceptance, resilience, self-regulation, and ability to work with others. External assets were knowledgeable and inclusive school community, and having access to various school programs and resources. It is crucial that schools and policymakers provide ample resources and programs to adequately support the development of each identified domain of student well-being. This could in turn enhance student well-being and lead to more successful educational outcomes for students with ASD.

Keywords: autism spectrum disorder, grounded theory approach, school experiences, student well-being

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Authors: E. V. Kuzmicheva

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An attention is concentrated on a service quality estimation of sport services. A typical mathematical model was developed at the base of the «general economic theory of mass service» accounting pedagogical requirements of fitness services. Also it took into account a dependence of the club member number versus on a value of square of sport facilities. Final recommendations were applied to the fitness club resulted in some improvement of the quality sport service, an increasing of the revenue from club members and profit of clubs.

Keywords: fitness club, efficiency of operation, facilities, service quality, mass service

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Authors: Rose Chapman Rodriguez

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Problem: Evidence-based practice (EBP) attributes are significantly associated with EBP implementation science, which improves patient care outcomes. Nurses influence EBP, yet little is known of the specific EBP attributes of pediatric nurses in their clinical sub-specialties. Aim: This study aims to investigate the relationship between nursing academic degree, years of experience, and clinical specialty, with mean survey scores on EBP belief, organizational culture, and implementation scales across all levels of nursing in a Children’s Hospital. Methods: A convenience sample of nurses (n=185) participated in a descriptive, cross-sectional, correlational study in May 2023. The electronic surveys comprised 11 demographic questions and nine survey items from the short-version EBP Beliefs Scale (Cronbach α = 0.81), Organizational Culture and Readiness Scale for System-wide Integration Scale (Cronbach α = 0.87), and EBP Implementation Scale (Cronbach α = 0.89). Findings: EBP belief scores were notably higher in nurses working in neonatology (m=4.33), critical care (m=4.47), and among nurse leaders (m=4.50). There was a statistically significant difference in EBP organizational culture among nurse leaders (m = 3.95, p=0.039) compared to clinical nurses (m = 3.34) and advanced practice nurses (m = 3.34). EBP implementation was favorable in neonatology (m=4.20), acute care (m=4.05), and nurse leaders (m=4.33). No significant difference or correlation was found in EBP belief, organizational culture, or implementation mean scores related to nurses' age, academic nursing degree, or years of experience in our cohort (EBP beliefs (r = -.06, p = .400), organizational readiness (r = .02, p = .770), and implementation scales (r = .01, p = .867). Conclusions: This study identified nurse’s EBP attributes in a Children’s Hospital using key variables studied in EBP social cognitive theory and learning theory. Magnet status, shared governance structure, specialty certification, and nurse leaders play a significant role in favorable EBP culture and implementation. Nurses’ unit level ‘group culture’ may vary depending on the EBP attributes and collaborative efforts of local teams. Opportunities for mentoring were identified, which may continue to enhance EBP implementation science across all nursing roles in our pediatric organization.

Keywords: evidence-based practice, peditrics, nursing roles, implementation

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Authors: Metwally Abdel Aziz Ahmed, Ahmed Shaban Abdel Hay Gabr, Inas Mohamed Saleh

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The main objective of structural design is to ensure safety and functional performance requirements of a structural system for its target reliability levels. In this study, the reliability index for the reinforcement concrete slender columns with rectangular cross section is studied. The variable parameters studied include the loads, the concrete compressive strength, the steel yield strength, the dimensions of concrete cross-section, the reinforcement ratio, and the location of steel placement. Risk analysis program was used to perform the analytical study. The effect of load eccentricity on the reliability index of reinforced concrete slender column was studied and presented. The results of this study indicate that the good quality control improve the performance of slender reinforced columns through increasing the reliability index β.

Keywords: reliability, reinforced concrete, safety, slender column

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Authors: Majed Ahmed Alfayad

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Technology is now present in almost all areas and practices globally, and this has led governments around the world to adopt technology in the public sector. Therefore, electronic government has been introduced as a means of the automation of government services. New technologies and trends appear every single day, and governments need to meet the citizen’s requirements and expectations in order to succeed in the E-Government program. This research investigates the potential of mobile government as an enhancement force for the E-Government project in the Kingdom of Saudi Arabia, where the usage of mobile technology is coming to be favoured by citizens. Qualitative methodology has been adopted in this study for the data collection and analysis, and in particular the grounded theory approach.

Keywords: e-government, e-participation, m-government, mobile technology

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Authors: Athira Sanjeev

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The portrayal of lesbianism in cinema has undergone significant transformations. This study explores the evolving portrayal of lesbianism in the films of French director Céline Sciamma, focusing on how her works have redefined the representation of queer women in contemporary cinema. Through an analysis of Water Lilies (2007), Tomboy (2011), and Portrait of a Lady on Fire (2019), the study investigates the ways in which Sciamma’s films diverge from traditional depictions of lesbianism in film, which often relied on either fetishization or tragedy. Instead, Sciamma adopts a quiet, minimalist style that foregrounds emotional intimacy, offering a more nuanced and authentic portrayal of lesbian relationships. Through a comparative analysis of these films, this research explores the thematic and stylistic progression of Sciamma’s portrayal of lesbianism, highlighting her commitment to centering queer female experiences. The research highlights Sciamma's commitment to focusing on the complexities of desire, identity formation, and the female gaze, particularly through her use of visual storytelling, character development, and narrative silence. Her films emphasize the fluidity of gender and sexuality, portraying lesbianism not as a fixed identity but as part of a broader spectrum of human desire. Sciamma’s nuanced approach resists the traditional marginalization of lesbian characters, allowing them to exist as individuals rather than as plot devices or objects of spectacle. This study draws from queer theory and feminist film criticism to examine how Sciamma challenges conventional heteronormative narratives, prioritizes the female gaze, and subverts traditional cinematic representations of lesbian desire. It also explores how her work contributes to a broader conversation on the representation of queerness in contemporary French cinema, challenging heteronormative paradigms and offering new possibilities for depicting female relationships on screen. By tracing the evolution of her films, this research contributes to broader discussions on LGBTQ+ visibility in cinema and the cultural significance of lesbian representation in contemporary cinema.

Keywords: female gaze, feminist film criticism, lesbianism in cinema, queer theory

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Authors: Tanja Ecken, Laura Fricke, Anika Wehling, Maren M. Michaelsen, Tobias Esch

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Studies and applied experiences evidence severe and traumatic accidents not only require physical rehabilitation and recovery but also necessitate a psychological adaption and reorganization to the changed living conditions. Neurobiological models underpinning the experience of happiness and satisfaction postulate life shocks to potentially enhance the experience of happiness and life satisfaction, i.e., posttraumatic growth (PTG). This present study aims to provide an in-depth understanding of the underlying psychological processes of PTG and to outline its consequences on subjective happiness and life satisfaction. To explore the aforementioned, Esch’s ABC Model was used as guidance for the development of a questionnaire assessing changes in happiness and life satisfaction and for a schematic model postulating the development of PTG in the context of paraplegia. Two-stage qualitative interview procedures explored participants’ experiences of paraplegia. Specifically, narrative, semi-structured interviews (N=28) focused on the time before and after the accident, the availability of supportive resources, and potential changes in the perception of happiness and life satisfaction. Qualitative analysis (Grounded Theory) indicated an initial phase of reorganization was followed by a gradual psychological adaption to novel, albeit reduced, opportunities in life. Participants reportedly experienced a ‘compelled’ slowing down and elements of mindfulness, subsequently instilling a sense of gratitude and joy in relation to life’s presumed trivialities. Despite physical limitations and difficulties, participants reported an enhanced ability to relate to oneself and others and a reduction of perceived everyday nuisances. Concluding, PTG can be experienced in response to severe, traumatic life events and has the potential to enrich the lives of affected persons in numerous, unexpected and yet challenging ways. PTG appears to be a spectrum comprised of an interplay of internal and external resources underpinned by neurobiological processes. Participants experienced PTG irrelevant of age, gender, marital status, income or level of education.

Keywords: post traumatic growth, happiness, life satisfaction, traumatic life events, paraplegia, ABC model, trauma

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Authors: Aziza Barrek, Mohamed Haythem Msaddek, Ismail Chenini

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Excessive groundwater pumping due to the increasing water demand, especially in the agricultural sector, causes groundwater scarcity. Groundwater recharge is the most important process that contributes to the water's durability. This paper is based on the Analytic Hierarchy Process multicriteria analysis to establish a groundwater recharge susceptibility map. To delineate aquifer suitability for groundwater recharge, eight parameters were used: soil type, land cover, drainage density, lithology, NDVI, slope, transmissivity, and rainfall. The impact of each factor was weighted. This method was applied to the El Fahs plain shallow aquifer. Results suggest that 37% of the aquifer area has very good and good recharge suitability. The results have been validated by the Receiver Operating Characteristics curve. The accuracy of the prediction obtained was 89.3%.

Keywords: AHP, El Fahs aquifer, empirical formula, groundwater recharge zone, remote sensing, semi-arid region

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Authors: Vani Tanggamani, Azlan Amran

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The issues of Corporate Social Responsibility (CSR) have been extended from developmental economics to corporate and business in recent years. Research in issues related to CSR is deemed to make higher impacts as CSR encourages long-term economy and business success without neglecting social, environmental risks, obligations and opportunities. Therefore, CSR is a key matter for any organisation aiming for long term sustainability since business incorporates principles of social responsibility into each of its business decisions. Thus, this paper presents a theoretical proposition based on stakeholder theory from the organisational perspective as a foundation for better CSR practices. The primary subject of this paper is to explore how looping concept can be effectively embedded into corporate CSR strategy to foster sustainable long term growth. In general, the concept of a loop is a structure or process, the end of which is connected to the beginning, whereas the narrow view of a loop in business field means plan, do, check, and improve. In this sense, looping concept is a blend of balance and agility with the awareness to know when to which. Organisations can introduce similar pull mechanisms by formulating CSR strategies in order to perform the best plan of actions in real time, then a chance to change those actions, pushing them toward well-organized planning and successful performance. Through the analysis of an exploratory study, this paper demonstrates that approaching looping concept in the context of corporate CSR strategy is an important source of new idea to propel CSR practices by deepening basic understanding through the looping concept which is increasingly necessary to attract and retain business stakeholders include people such as employees, customers, suppliers and other communities for long-term business survival. This paper contributes to the literature by providing a fundamental explanation of how the organisations will experience less financial and reputation risk if looping concept logic is integrated into core business CSR strategy.The value of the paper rests in the treatment of looping concept as a corporate CSR strategy which demonstrates "looping concept implementation framework for CSR" that could further foster business sustainability, and help organisations move along the path from laggards to leaders.

Keywords: corporate social responsibility, looping concept, stakeholder theory, sustainable growth

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Authors: Alexandre Marin, Alexandra Bac, Laurent Astart

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New numerical methods for PDE resolution (such as Finite Volumes (FV) or Virtual Elements Method (VEM)) open new needs in terms of meshing of domains of interest, and in particular, polyhedral meshes have many advantages. One way to build such meshes consists of constructing Restricted Voronoi Diagrams (RVDs) whose boundaries respect the domain of interest. By minimizing a function defined for RVDs, the shapes of cells can be controlled, e.g., elongated according to user-defined directions or adjusted to comply with given aspect ratios (anisotropy) and density variations. In this paper, our contribution is threefold: First, we introduce a new gradient formula for the Voronoi tessellation energy under a continuous anisotropy field. Second, we describe a meshing algorithm based on the optimisation of this function that we validate against state-of-the-art approaches. Finally, we propose a hierarchical approach to speed up our meshing algorithm.

Keywords: anisotropic Voronoi diagrams, meshes for numerical simulations, optimisation, volumic polyhedral meshing

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Authors: Sira Suren, Soorathep Kheawhom

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This work focuses the development of thin and flexible zinc-air battery. The battery with an overall thickness of about 300 μm was fabricated by an inexpensive screen-printing technique. Commercial nano-silver ink was used as both current collectors and catalyst layer. Carbon black ink was used to fabricate cathode electrode. Polypropylene membrane was used as the cathode substrate and separator. 9 M KOH was used as the electrolyte. A mixture of Zn powder and ZnO was used to prepare the anode electrode. Types of conductive materials (Bi2O3, Na2O3Si and carbon black) for the anode and its concentration were investigated. Results showed that the battery using 29% carbon black showed the best performance. The open-circuit voltage and energy density observed were 1.6 V and 694 Wh/kg, respectively. When the battery was discharged at 10 mA/cm2, the potential voltage observed was 1.35 V. Furthermore, the battery was tested for its flexibility. Upon bending, no significant loss in performance was observed.

Keywords: flexible, Gel Electrolyte, screen printing, thin battery, Zn-Air battery

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Authors: David Ompong, Jai Singh

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A better understanding of the open-circuit voltage (Voc) related losses in organic solar cells (OSCs) is desirable in order to assess the photovoltaic performance of these devices. We have derived Voc as a function of charge carrier mobilities (μe and μh) for organic and hybrid solar cells by optimizing the drift-diffusion current density. The optimum Voc thus obtained depends on the energy difference between the highest occupied molecular orbital (HOMO) level and the quasi-Fermi level of holes of the donor material. We have found that the Voc depends on the ratio of the electron (μe) and hole (μh) mobilities and when μh > μe the Voc increases. The most important loss term in the Voc arises from the energetics of the donor and acceptor materials, which will be discussed in detail in this paper.

Keywords: charge carrier mobility, open-circuit voltage, organic solar cells, quasi-fermi levels

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Authors: Ramzi Farra, Detre Teschner, Marc Willinger, Robert Schlögl

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Introduction: The conventional approach of characterizing solid catalysts under static conditions, i.e., before and after reaction, does not provide sufficient knowledge on the physicochemical processes occurring under dynamic conditions at the molecular level. Hence, the necessity of improving new in situ characterizing techniques with the potential of being used under real catalytic reaction conditions is highly desirable. In situ Prompt Gamma Activation Analysis (PGAA) is a rapidly developing chemical analytical technique that enables us experimentally to assess the coverage of surface species under catalytic turnover and correlate these with the reactivity. The catalytic HCl oxidation (Deacon reaction) over bulk ceria will serve as our example. Furthermore, the in situ Transmission Electron Microscopy is a powerful technique that can contribute to the study of atmosphere and temperature induced morphological or compositional changes of a catalyst at atomic resolution. The application of such techniques (PGAA and TEM) will pave the way to a greater and deeper understanding of the dynamic nature of active catalysts. Experimental/Methodology: In situ Prompt Gamma Activation Analysis (PGAA) experiments were carried out to determine the Cl uptake and the degree of surface chlorination under reaction conditions by varying p(O2), p(HCl), p(Cl2), and the reaction temperature. The abundance and dynamic evolution of OH groups on working catalyst under various steady-state conditions were studied by means of in situ FTIR with a specially designed homemade transmission cell. For real in situ TEM we use a commercial in situ holder with a home built gas feeding system and gas analytics. Conclusions: Two complimentary in situ techniques, namely in situ PGAA and in situ FTIR were utilities to investigate the surface coverage of the two most abundant species (Cl and OH). The OH density and Cl uptake were followed under multiple steady-state conditions as a function of p(O2), p(HCl), p(Cl2), and temperature. These experiments have shown that, the OH density positively correlates with the reactivity whereas Cl negatively. The p(HCl) experiments give rise to increased activity accompanied by Cl-coverage increase (opposite trend to p(O2) and T). Cl2 strongly inhibits the reaction, but no measurable increase of the Cl uptake was found. After considering all previous observations we conclude that only a minority of the available adsorption sites contribute to the reactivity. In addition, the mechanism of the catalysed reaction was proposed. The chlorine-oxygen competition for the available active sites renders re-oxidation as the rate-determining step of the catalysed reaction. Further investigations using in situ TEM are planned and will be conducted in the near future. Such experiments allow us to monitor active catalysts at the atomic scale under the most realistic conditions of temperature and pressure. The talk will shed a light on the potential and limitations of in situ PGAA and in situ TEM in the study of catalyst dynamics.

Keywords: CeO2, deacon process, in situ PGAA, in situ TEM, in situ FTIR

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Authors: Federico Cevoli

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Purinergic P2X7 receptors (P2X7R) are ligand-gated non-selective cation channels involved in several physiological and pathological processes. They are particularly promising pharmacological targets as they are present in an increasing number of different cells types. P2X7R activation is triggered following elevated concentrations of extracellular ATP, similarly to those observed in tissues injury, chronic inflammation and T-cell activation, as well as in the scrambling of phospholipids leading to membrane blebbing and apoptosis. Another hallmark of P2X7 is cell permeabilization, commonly known as “macropore” formation allowing the passage of nanometer-sized molecules up to 900Da. Recently, full-length P2X7 Cryo-EM structures revealed unique functional sites, including two cytoplasmic domains - the cytoplasmic "anchor" and "ballast". To date, the molecular units/complex by which P2X7R exerts its pathophysiological functions are unknown. Using custom-made cell-penetrating HIV-1 TAT peptides, we show for the first-time potential implications of P2X7 cytoplasmic anchor in the regulation of caspase3/7 activation as well as TNFα regulation.

Keywords: P2X7R, immunology, TAT-peptide, cell death

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Authors: Yanto Santosa, Dede Aulia Rahman, Cory Wulan, Abdul Haris Mustari

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The global demand for long-tailed macaques for medical experimentation has continued to increase. Fulfillment of Indonesian export demands has been mostly from natural habitats, based on a harvesting quota. This quota has been determined according to the total catch for a given year, and not based on consideration of any demographic parameters or physical environmental factors with regard to the animal; hence threatening the sustainability of the various populations. It is therefore necessary to formulate a method for calculating a sustainable harvesting quota, based on population parameters in natural habitats. Considering the possibility of variations in habitat characteristics and population parameters, a time series observation of demographic and physical/biotic parameters, in various habitats, was performed on 13 groups of long-tailed macaques, distributed throughout the West Java, Lampung and Yogyakarta areas of Indonesia. These provinces were selected for comparison of the influence of human/tourism activities. Data on population parameters that was collected included data on life expectancy according to age class, numbers of individuals by sex and age class, and ‘ratio of infants to reproductive females’. The estimation of population growth was based on a population dynamic growth model: the Leslie matrix. The harvesting quota was calculated as being the difference between the actual population size and the MVP (minimum viable population) for each sex and age class. Observation indicated that there were variations within group size (24 – 106 individuals), gender (sex) ratio (1:1 to 1:1.3), life expectancy value (0.30 to 0.93), and ‘ratio of infants to reproductive females’ (0.23 to 1.56). Results of subsequent calculations showed that sustainable harvesting quotas for each studied group of long-tailed macaques, ranged from 29 to 110 individuals. An estimation model of the MVP for each age class was formulated as Log Y = 0.315 + 0.884 Log Ni (number of individual on ith age class). This study also found that life expectancy for the juvenile age class was affected by the humidity under tree stands, and dietary plants’ density at sapling, pole and tree stages (equation: Y= 2.296 – 1.535 RH + 0.002 Kpcg – 0.002 Ktg – 0.001 Kphn, R2 = 89.6% with a significance value of 0.001). By contrast, for the sub-adult-adult age class, life expectancy was significantly affected by slope (equation: Y=0.377 = 0.012 Kml, R2 = 50.4%, with significance level of 0.007). The infant to reproductive female ratio was affected by humidity under tree stands, and dietary plant density at sapling and pole stages (equation: Y = -1.432 + 2.172 RH – 0.004 Kpcg + 0.003 Ktg, R2 = 82.0% with significance level of 0.001). This research confirmed the importance of population parameters in determining the minimum viable population, and that MVP varied according to habitat characteristics (especially food availability). It would be difficult therefore, to formulate a general mathematical equation model for determining a harvesting quota for the species as a whole.

Keywords: harvesting, long-tailed macaque, population, quota

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Authors: A. Benatiallah, A. Hadjadj, D. Benatiallah, F. Abaidi, A. Harrouz

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Photovoltaic system is established as a reliable and economical source of electricity in rural and Sahara areas, especially in developing countries where the population is dispersed, has low consumption of energy and the grid power is not extended to these areas due to viability and financial problems. The production of energy by the photovoltaic system is very fluctuates and depend of meteorological conditions. Wind is a very important and often neglected parameter in the behavior of the solar module. The electric performances of a solar module to the silicon are very appreciable to the blows; in the present work we have studies the behavior of multi-crystal solar module according to the density of dust, and the principals electric feature of the solar module. An evaluation permits to affirm that a solar module under the effect of sand will collect a lower flux to the normal conditions.

Keywords: photovoltaic, multi-crystal module, experimental, effect of dust, performances

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Authors: Maciej Szeląg

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The changing nature of environmental impacts, in which cement composites are operating, are causing in the structure of the material a number of phenomena, which result in volume deformation of the composite. These strains can cause composite cracking. Cracks are merging by propagation or intersect to form a characteristic structure of cracks known as the cluster cracks. This characteristic mesh of cracks is crucial to almost all building materials, which are working in service loads conditions. Particularly dangerous for a cement matrix is a sudden load of elevated temperature – the thermal shock. Resulting in a relatively short period of time a large value of a temperature gradient between the outer surface and the material’s interior can result in cracks formation on the surface and in the volume of the material. In the paper, in order to analyze the geometry of the cluster cracks of the cement pastes, the image analysis tools were used. Tested were 4 series of specimens made of two different Portland cement. In addition, two series include microsilica as a substitute for the 10% of the cement. Within each series, specimens were performed in three w/b indicators (water/binder): 0.4; 0.5; 0.6. The cluster cracks were created by sudden loading the samples by elevated temperature of 250°C. Images of the cracked surfaces were obtained via scanning at 2400 DPI. Digital processing and measurements were performed using ImageJ v. 1.46r software. To describe the structure of the cluster cracks three stereological parameters were proposed: the average cluster area - A ̅, the average length of cluster perimeter - L ̅, and the average opening width of a crack between clusters - I ̅. The aim of the study was to identify and evaluate the relationships between measured stereological parameters, and the compressive strength and the bulk density of the modified cement pastes. The tests of the mechanical and physical feature have been carried out in accordance with EN standards. The curves describing the relationships have been developed using the least squares method, and the quality of the curve fitting to the empirical data was evaluated using three diagnostic statistics: the coefficient of determination – R2, the standard error of estimation - Se, and the coefficient of random variation – W. The use of image analysis allowed for a quantitative description of the cluster cracks’ geometry. Based on the obtained results, it was found a strong correlation between the A ̅ and L ̅ – reflecting the fractal nature of the cluster cracks formation process. It was noted that the compressive strength and the bulk density of cement pastes decrease with an increase in the values of the stereological parameters. It was also found that the main factors, which impact on the cluster cracks’ geometry are the cement particles’ size and the general content of the binder in a volume of the material. The microsilica caused the reduction in the A ̅, L ̅ and I ̅ values compared to the values obtained by the classical cement paste’s samples, which is caused by the pozzolanic properties of the microsilica.

Keywords: cement paste, cluster cracks, elevated temperature, image analysis, microsilica, stereological parameters

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Authors: F. Argurio, F. G. Vaccaro

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In a global environment defined by ever-increasing health issues, in spite of the progress made by modern medicine, this paper seeks to readdress the question of global health in an international relations perspective. The research hypothesis is: the lower the security environment, the higher the spread of communicable diseases. This question will be channeled by re-scaling the connotation of 'global' and 'international' dimension through the theoretical lens of glocalization, a theory by Bauman that starts its analysis from simple systems to get to the most complex ones. Glocalization theory will be operationalized by analyzing health in an armed-conflict context. In this respect, the independent variable 'low security environment' translates into the cases of Syria and Yemen, which provide a clear example of the all-encompassing nature of conflict on national health and the effects on regional development. In fact, Syria and Yemen have been affected by poliomyelitis and cholera outbreaks respectively. The dependent variable will be constructed on said communicable diseases which belong to the families of sanitation-related and vaccine-preventable diseases. The research will be both qualitative and quantitative, based on primary (interviews) and secondary (WHO and other NGO’s reports) sources. The methodology is based on the assessment of the vaccine coverage and case-analysis in time and space using epidemiological data. Moreover, local health facilities’ functioning and efficiency will be studied. The article posits that the intervention and cooperation of international organizations with the local authorities becomes crucial to provide the local populations with their primary health needs. In Yemen, the majority of fatal cholera cases were in the regions controlled by the Houthi rebels, not officially accredited by the International Community. Similarly, the polio outbreak in Syria primarily affected the areas not controlled by the Syrian Arab Republic forces, recognized as the leading interlocutor by the WHO. The jeopardized possibilities to access these countries have been pivotal to the determining the problem in controlling sanitation-related and vaccine preventable diseases. This represents a potential threat to global health.

Keywords: health in conflict-affected areas, cholera, polio, Yemen, Syria, glocalization

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Authors: Ehsanolah Assareh, Mojtaba Biglari, Mojtaba Nedaei

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Sanar village in north of Iran is a remote region with difficult access to electricity, grid and water supply. Thus the aim of this research is to evaluate the potential of wind as a power source either for electricity generation or for water pumping. In this study the statistical analysis has been performed by Weibull distribution function. The results show that the Weibull distribution has fitted the wind data very well. Also it has been demonstrated that wind speed at 40 m height is ranged from 1.75 m/s in Dec to 3.28 m/s in Aug with average value of 2.69 m/s. In this research, different wind speed characteristics such as turbulence intensity, wind direction, monthly air temperature, humidity wind power density and other related parameters have been investigated. Finally it was concluded that the wind energy in the Sanar village may be explored by employing modern wind turbines that require very lower start-up speeds.

Keywords: wind energy, wind turbine, weibull, Sanar village, Iran

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Authors: Jinfeng Zhang, Chun-Sing Lee

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Pure nanodrugs (PNDs) – nanoparticles consisting entirely of drug molecules, have been considered as promising candidates for the next-generation nanodrugs. However, the traditional preparation method via reprecipitation faces critical challenges including low production rates, relatively large particle sizes and batch-to-batch variations. Here, for the first time, we successfully developed a novel, versatile and controllable strategy for preparing PNDs via an anodized aluminium oxide (AAO) template-assisted method. With this approach, we prepared PNDs of an anti-cancer drug (VM-26) with precisely controlled sizes reaching the sub-20 nm range. This template-assisted approach has much higher feasibility for mass production comparing to the conventional reprecipitation method and is beneficial for future clinical translation. The present method is further demonstrated to be easily applicable for a wide range of hydrophobic biomolecules without the need of custom molecular modifications and can be extended for preparing all-in-one nanostructures with different functional agents.

Keywords: drug delivery, pure nanodrugs, size control, template

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Authors: Zeineb Yousse, Fakher Kharrat

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Mosaic is a part of a broad universal cultural heritage; sometimes it represents a rather essential source for the researches on the everyday life of some of the previous civilizations. Tunisia has one of the finest and largest collections of mosaics in the world, which is essentially exhibited in the Museums of Bardo and Sousse. Restored and reconstituted, they bear witnesses to hard work. Our paper deals with the discipline of conservation of Roman mosaics based on the proceedings of the workshop of the Museum of Sousse. Thus, we highlight two main objectives. In the first place, it is a question of revealing the techniques adopted by professionals to handle mosaics and to which school of conservation these techniques belong. In the second place, we are going to interpret the works initiated to preserve the archaeological heritage in order to protect it in present time and transmit it to future generations. To this end, we paid attention to four Roman mosaics currently exhibited in the Museum of Sousse. These Mosaics show different voids or gaps at the level of their surfaces and the method used to fill these gaps seems to be interesting to analyze. These mosaics are known under the names of: Orpheus Charming the Animals, Gladiator and Bears, Stud farm of Sorothus and finally Head of Medusa. The study on the conservation passes through two chained phases. We start with a small historical overview in order to gather information related to the original location, the date of its composition as well as the description of its image. Afterward, the intervention process is analyzed by handling three complementary elements which are: diagnosis of the existing state, the study of the medium processing and the study of the processing of the tesselatum surface which includes the pictorial composition of the mosaic. Furthermore, we have implemented an evaluation matrix with six operating principles allowing the assessment of the appropriateness of the intervention. These principles are the following: minimal intervention, reversibility, compatibility, visibility, durability, authenticity and enhancement. Various accumulated outcomes are pointing out the techniques used to fill the gaps as well as the level of compliance with the principles of conservation. Accordingly, the conservation of mosaics in Tunisia is a practice that combines various techniques without really arguing about the choice of a particular theory.

Keywords: conservation, matrix, museum of Sousse, operating particular theory, principles, Roman mosaics

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