Search results for: Marvin Choquet

Authors: Serhat Tüzün, Tufan Demirel

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The objective of the present study is to select the most suitable location for a wind power plant station through Choquet integral method. The problem of selecting the location for a wind power station was considered as a multi-criteria decision-making problem. The essential and sub-criteria were specified and location selection was expressed in a hierarchic structure. Among the main criteria taken into account in this paper are wind potential, technical factors, social factors, transportation, and costs. The problem was solved by using different approaches of Choquet integral and the best location for a wind power station was determined. Then, the priority weights obtained from different Choquet integral approaches are compared and commented on.

Keywords: multi-criteria decision making, choquet integral, fuzzy sets, location of a wind power plant

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Authors: Vassilis C. Moulianitis, Evgenios Scourboutis, Ilias Katsanis, Paraskevas Papanikos, Nikolas Zacharopoulos

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This paper presents the conceptual design of an automated biomethane potential measurement system. First, the design specifications for the BMP system and the basic components of the system will be presented. Three concepts that meet the design specifications will be presented. The basic characteristics of each concept will be analyzed in detail. The concepts will be evaluated using a set of design criteria that includes flexibility, cost, size, complexity, aesthetics, and accessibility in order to determine the best solution. The evaluation will be based on the discrete Choquet integral.

Keywords: automated biomethane test, conceptual mechatronics design, concept evaluation, Choquet integral

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Authors: Anna Sikharulidze, Gia Sirbiladze

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For the evaluation of unreliability levels of movement on the closed routes in the vehicle routing problem, the fuzzy operators family is constructed. The interactions between routing factors in extreme conditions on the roads are considered. A multi-criteria decision-making model (MCDM) is constructed. Constructed aggregations are based on the Choquet integral and the associated probability class of a fuzzy measure. Propositions on the correctness of the extension are proved. Connections between the operators and the compositions of dual triangular norms are described. The conjugate connections between the constructed operators are shown. Operators reflect interactions among all the combinations of the factors in the fuzzy MCDM process. Several variants of constructed operators are used in the decision-making problem regarding the assessment of unreliability and possibility levels of movement on closed routes.

Keywords: vehicle routing problem, associated probabilities of a fuzzy measure, choquet integral, fuzzy aggregation operator

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Authors: Mads Schultz, Galice Hoarau, Marvin Choquet

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Members of the genus Calanus are key species in the North Atlantic and Arctic marine ecosystems due to their vast abundance and their ability to accumulate high amounts of lipid. As a link between primary producers and higher trophic levels, the temporal presence of each Calanus species is important in a time of changing communities and northward distribution shifts. This study focused on the temporal niches of the sympatric species Calanus helgolandicus, Calanus finmarchicus, Calanus glacialis, and Calanus hyperboreus in Skjerstad fjord, a Norwegian fjord (67˚14’N, 14 ˚44’E). Three depth intervals were sampled monthly over a year, targeting copepodite stages of the genus Calanus. Species determination was carried out genetically using insertion/deletion markers. In addition, during the reproductive season (Jan-May), weekly samples of the upper 50 meters of the water column targeting nauplii and 5 depth intervals targeting copepodites were collected. Nauplii samples were sorted into two groups (NI-NIII and NIV-NVI), and species were genetically identified. Specimens from stage CIV to adults from each depth interval of copepodite sampling were photographed in order to generate a supporting timeline of visual traits, including gonad maturation stage, presence of stomach content, and total lipid content. The most abundant species were Calanus finmarchicus and Calanus glacialis, followed by Calanus hyperboreus. These species were present in the water column throughout the year, whereas Calanus helgolandicus, the least abundant species, was only present during the summer and autumn period. Each species showed distinct temporal niches, with Calanus finmarchicus occupying the upper 50 meters longer than any of the other species. Calanus hyperboreus dominates in abundance early in the spring but are outnumbered by Calanus glacialis and Calanus finmarchicus after spring bloom sets in. In Skjerstad fjord, Calanus hyperboreus is a clear capital breeder with a long period of nauplii presence before the spring bloom. Calanus glacialis and Calanus finmarchicus both utilize income breeding, with Calanus glacialis developing to the larger nauplii stages quicker than Calanus finmarchicus, but also having a shorter reproduction period. Indeed, the “traditional Arctic” species Calanus hyperboreus and Calanus glacialis appear to end their reproduction period earlier than the North Atlantic Calanus finmarchicus.

Keywords: calanus, depth distribution, reproduction, stage composition, temporal niches

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Authors: Dagmar Monett, Sven-Erik Kujat, Marvin Hartmann

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This paper discusses the use of a template-based approach for documenting high-quality requirements as part of course projects in an undergraduate Software Engineering course. In order to ease some of the Requirements Engineering activities that are performed when defining requirements by using the template, a new CASE tool, RED:WIRE, was first developed and later tested by students attending the course. Two questionnaires were conceived around a study that aims to analyze the new tool’s learnability as well as other obtained results concerning its usability in particular and the Requirements Engineering skills developed by the students in general.

Keywords: CASE tool, requirements engineering, SOPHIST template, undergraduate course

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Authors: Danielle Kim

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This paper analyzes how conceptual metaphors in the lyrics of popular songs can be potentially detrimental by influencing the public’s perception of women. Conceptual metaphors in songs often compare women to objects (objects that are fragile and breakable or primarily of monetary value) and animals. Many common conceptual metaphors in music refer to women as less than sovereign, rational humans, implying that women should be owned, controlled, and used. These comparisons are harmful because music is so influential and has the ability to create and perpetuate stereotypes. By examining the lyrics of the popular songs: Bob Dylan’s “Just like a woman,” Robin Thicke’s “Blurred Lines” (written by Marvin Gaye), and Chris Brown’s “Fine China,” we can discern subtle ways in which misogynistic language has become so imbedded into popular culture.

Keywords: conceptual metaphors, women studies, feminism, lyrics

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Authors: Sun Tao, Lou Liang, Tan Xing Haw Marvin, Gu Yuandong Alex

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Patients with blood clots in their brains can experience problems with their vision or speech, seizures and general weakness. To treat blood clots, clinicians presently have two options. The first involves drug therapy to thin the blood and thus reduce the clot. The second choice is to invasively remove the clot using a plastic tube called a catheter. Both approaches carry a high risk of bleeding, and invasive procedures, such as catheter intervention, can also damage the blood vessel wall and cause infection. Ultrasonic treatment as a potential alternative therapy to break down clots is attracting growing interests due to the reduced adverse effects. To demonstrate the concept, in this investigation a microfabricated ultrasonic device was electrically packaged with printed circuit board to treat healthy human blood. The red blood cells could be broken down after 3-hour ultrasonic treatment.

Keywords: microfabrication, blood clot, ultrasonic thrombolysis device, ultrasonic device

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Authors: Luca Martignoni, Joseph Nserat, Eric Arand, Marvin Braun

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The increasing application of conversational agents in healthcare and the demand for applications that enable patients to take informed decisions is changing the way patients access healthcare and take decisions. Promising results related to the acceptance of CAs in healthcare have been accomplished. In that regard, understanding how to design CAs in a way that patients trust their recommendations and decisions constitutes an important area of research. Our study examines self-disclosure and transparency as drivers of trust to enhance the medical assistance of CAs for patients. Accordingly, we examined the effects of self-disclosure and transparency on patients trust and service satisfaction by conducting an online experiment with 136 participants. Our results show that the expression of both self-disclosure and conversational agents transparency leads to an increased perception of trust but does not necessarily improve the service satisfaction. Therefore, developers should implement self-disclosure and transparency to create a trustworthy environment.

Keywords: conversational agent, transparency, self-disclosure, healthcare

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Authors: Bezhan Ghvaberidze

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A multiple criteria optimization approach for the solution of the Fuzzy Vehicle Routing Problem (FVRP) is proposed. For the possibility environment the levels of movements between customers are calculated by the constructed simulation interactive algorithm. The first criterion of the bi-criteria optimization problem - minimization of the expectation of total fuzzy travel time on closed routes is constructed for the FVRP. A new, second criterion – maximization of feasibility of movement on the closed routes is constructed by the Choquet finite averaging operator. The FVRP is reduced to the bi-criteria partitioning problem for the so called “promising” routes which were selected from the all admissible closed routes. The convenient selection of the “promising” routes allows us to solve the reduced problem in the real-time computing. For the numerical solution of the bi-criteria partitioning problem the -constraint approach is used. An exact algorithm is implemented based on D. Knuth’s Dancing Links technique and the algorithm DLX. The Main objective was to present the new approach for FVRP, when there are some difficulties while moving on the roads. This approach is called FVRP for extreme conditions (FVRP-EC) on the roads. Also, the aim of this paper was to construct the solving model of the constructed FVRP. Results are illustrated on the numerical example where all Pareto-optimal solutions are found. Also, an approach for more complex model FVRP with time windows was developed. A numerical example is presented in which optimal routes are constructed for extreme conditions on the roads.

Keywords: combinatorial optimization, Fuzzy Vehicle routing problem, multiple objective programming, possibility theory

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Authors: Marcella De Filippo, Delio Colangelo, Luca Farnia

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In recent decades, the hyper-competition of tourism scenario has implicated the maturity of many businesses, attributing a central role to innovative processes and their dissemination in the economy of company management. At the same time, it has defined the need for monitoring the application of innovations, in order to govern and improve the performance of companies and destinations. The study aims to analyze and define the innovation in the tourism sector. The research actions have concerned, on the one hand, some in-depth interviews with experts, identifying innovation in terms of process and product, digitalization, sustainability policies and, on the other hand, to evaluate the interaction between these factors, in terms of substitutability and complementarity in management scenarios, in order to identify which one is essential to be competitive in the global scenario. Fuzzy measures and Choquet integral were used to elicit Experts’ preferences. This method allows not only to evaluate the relative importance of each pillar, but also and more interestingly, the level of interaction, ranging from complementarity to substitutability, between pairs of factors. The results of the survey are the following: in terms of Shapley values, Experts assert that Innovation is the most important factor (32.32), followed by digitalization (31.86), Network (20.57) and Sustainability (15.25). In terms of Interaction indices, given the low degree of consensus among experts, the interaction between couples of criteria on average could be ignored; however, it is worth to note that the factors innovations and digitalization are those in which experts express the highest degree of interaction. However for some of them, these factors have a moderate level of complementarity (with a pick of 57.14), and others consider them moderately substitutes (with a pick of -39.58). Another example, although outlier is the interaction between network and digitalization, in which an expert consider them markedly substitutes (-77.08).

Keywords: innovation, business model, tourism, fuzzy

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Authors: Marvin R. Tenecio

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The analysis of "religious resistance" has been prevalent in Asian and Philippine studies. Discussions on religious resistance from a variety of perspectives are deemed as crucial turning points in the concept's ongoing development and expansion. By broadening the backdrop of religious protest between the early 1960s and the late 1980s, the researchers contend that a study examining the role carried by the Catholic Church in the upheavals against dictatorships in South Korea and the Philippines would be beneficial to the body of knowledge. This study examines a variety of historical writings about the activities occurring at that time. The researchers also compare and contrast the Catholic Church's contributions to the Korean and Philippine resistance against Park Chung-Hee and Ferdinand Marcos Sr., respectively, during the early 1960s until the late 1980s, using the lens of history from below, particularly the Pasyon and Revolution. The Catholic Church stood out against human rights abuses, promoted social justice, and mobilized the public for political reform in response to the dictatorships in South Korea and the Philippines. Even though the specific circumstances and personalities may have changed, the Church's position in both countries was vital in opposing authoritarian governments and supporting democratic movements.

Keywords: resistance, movements, catholic, church, dictatorship

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Authors: Marvin Ricardo Awarab

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There has never been a greater need for telecom services. The Internet of Things (IoT), 5G networking, and edge computing are the driving forces behind this increased demand. The fierce demand offers communications service providers significant income opportunities. The telecom sector is centered on automation, and realizing a digital operation that functions as a real-time business will be crucial for the industry as a whole. Automation in telecom refers to the application of technology to create a more effective, quick, and scalable alternative to the conventional method of operating the telecom industry. With the promotion of 5G and the Internet of Things (IoT), telecom companies will continue to invest extensively in telecom automation technology. Automation offers benefits in the telecom industry; developing countries such as Namibia may not fully tap into such benefits because of the lack of funds and infrastructural resources to invest in automation. This paper fully investigates the benefits of automation in the telecom industry. Furthermore, the paper identifies hiccups that developing countries such as Namibia face in their quest to fully introduce automation in the telecom industry. Additionally, the paper proposes possible avenues that Namibia, as a developing country, adopt investing in automation infrastructural resources with the aim of reaping the full benefits of automation in the telecom industry.

Keywords: automation, development, internet, internet of things, network, telecom, telecommunications policy, 5G

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Authors: Reynald Contreras, Shaina Marie Bho, Kate Roan Dela Cruz, Marvin Dela Cruz

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This study was conducted with the aim of determining the skill level of grade ten (Grade 10) students in writing a reflective essay in selected secondary schools of Valenzuela. This research used descriptive and qualitative-quantitative research methods to systematically and accurately describe the level of writing skills of students and used a convenient sampling technique in selecting forty (40) students in grade ten. (Grade 10) at Polo, Wawang Pulo, and Arkong Batong high schools with a total of one hundred and twenty (120) students to assess the written reflective essay using modified rubrics developed based on 6+1 writing traits by Ruth Culham. According to the findings of the study, students at Polo and Wawang Pulo National high schools have low levels of writing skills that need to be developed or are not proficient. Meanwhile, Arkong Bato National High School has achieved a high degree of writing proficiency. Based on the study's findings, the researchers devised a suggested curriculum mapping for the suggested activity or intervention activity that would aid in the development and cultivation of the writing skills of children in grade ten (Grade 10).

Keywords: writing skills, reflective essay, intervention activity, 6+1 writing traits, modified rubrics

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Authors: Joy Shihyi Huang

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This paper discusses the concept of community in Anna Deavere Smith’s performance, one that challenges and explores existing notions of justice and the other. In contrast to unwavering assumptions of essentialism that have helped to propel a discourse on moral agency within the black community, Smith employs postmodern ideas in which the theatrical attributes of doubling and repetition are conceptualized as part of what Marvin Carlson coined as a ‘memory machine.’ Her dismissal of the need for linear time, such as that regulated by Aristotle’s The Poetics and its concomitant ethics, values, and emotions as a primary ontological and epistemological construct produced by the existing African American historiography, demonstrates an urgency to produce an alternative communal self to override metanarratives in which the African Americans’ lives are contained and sublated by specific historical confines. Drawing on Emmanuel Levinas’ theories in ethics, specifically his notion of ‘proximity’ and ‘the third,’ the paper argues that Smith enacts a new model of ethics by launching an acting method that eliminates the boundary of self and other. Defying psychological realism, Smith conceptualizes an approach to acting that surpasses the mere mimetic value of invoking a ‘likeness’ of an actor to a character, which as such, resembles the mere attribution of various racial or sexual attributes in identity politics. Such acting, she contends, reduces the other to a representation of, at best, an ultimate rendering of me/my experience. She instead appreciates ‘unlikeness,’ recognizes the unavoidable actor/character gap as a power that humbles the self, whose irreversible journey to the other carves out its own image.

Keywords: Anna Deavere Smith, Emmanuel Levinas, other, performance

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Authors: Craig A. Kaplan

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If AGI proves to be a “winner-take-all” scenario where the first company or country to develop AGI dominates, then the first AGI must also be the safest. The safest, and fastest, path to Artificial General Intelligence (AGI) may be to harness the collective intelligence of multiple AI and human agents in an AGI network. This approach has roots in seminal ideas from four of the scientists who founded the field of Artificial Intelligence: Allen Newell, Marvin Minsky, Claude Shannon, and Herbert Simon. Extrapolating key insights from these founders of AI, and combining them with the work of modern researchers, results in a fast and safe path to AGI. The seminal ideas discussed are: 1) Society of Mind (Minsky), 2) Information Theory (Shannon), 3) Problem Solving Theory (Newell & Simon), and 4) Bounded Rationality (Simon). Society of Mind describes a collective intelligence approach that can be used with AI and human agents to create an AGI network. Information theory helps address the critical issue of how an AGI system will increase its intelligence over time. Problem Solving Theory provides a universal framework that AI and human agents can use to communicate efficiently, effectively, and safely. Bounded Rationality helps us better understand not only the capabilities of SuperIntelligent AGI but also how humans can remain relevant in a world where the intelligence of AGI vastly exceeds that of its human creators. Each key idea can be combined with recent work in the fields of Artificial Intelligence, Machine Learning, and Large Language Models to accelerate the development of a working, safe, AGI system.

Keywords: AI Agents, Collective Intelligence, Minsky, Newell, Shannon, Simon, AGI, AGI Safety

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Authors: Marvin Chibuzo Offiah, Susanne Rosenthal, Markus Borschbach

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Certain research projects in Computer Science often involve research on existing signal processing algorithms and developing improvements on them. Research budgets are usually limited, hence there is limited time for implementing the algorithms from scratch. It is therefore common practice, to use implementations provided by other researchers as a template. These are most commonly provided in a rapid development, i.e. 4th generation, programming language, usually Matlab. Rapid development is a common method in Computer Science research for quickly implementing and testing new developed algorithms, which is also a common task within agile project organization. The growing relevance of mobile devices in the computer market also gives rise to the need to demonstrate the successful executability and performance measurement of these algorithms on a mobile device operating system and processor, particularly on a smartphone. Open mobile systems such as Android, are most suitable for this task, which is to be performed most efficiently. Furthermore, efficiently implementing an interaction between the algorithm and a graphical user interface (GUI) that runs exclusively on the mobile device is necessary in cases where the project’s goal statement also includes such a task. This paper examines different proposed solutions for porting computer algorithms obtained through rapid development into a GUI-based smartphone Android app and evaluates their feasibilities. Accordingly, the feasible methods are tested and a short success report is given for each tested method.

Keywords: SMARTNAVI, Smartphone, App, Programming languages, Rapid Development, MATLAB, Octave, C/C++, Java, Android, NDK, SDK, Linux, Ubuntu, Emulation, GUI

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Authors: Laurence G. Almoguera, Vitaliana U. Malamug, Armando N. Espino, Marvin M. Cinense

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The mangrove pens were modified to produce mud crab (Scylla serrata) and milkfish (Chanos chanos) in a polyculture system. The modification of mangrove pens was done by adding excavations inside the pen. The water quality parameters (dissolved oxygen, pH, salinity, and temperature) were monitored, the recovery and the production rate in each pen were evaluated. The experiment was conducted for a rearing period of 143 days in nine mangrove pens, each having an area of 32 m² with an average net enclosure height of 3 m from the soil surface. The three different pens constructed (existing design - with canal only, with 43% excavation by area, and 54% excavation by area) were designated as T₁, T₂, and T₃, respectively. All experimental units were stocked with 31 pieces of crablets (with 33.3 g average weight) and additional 130 pieces of milkfish fingerlings (with 0.11 g average weight) to the modified mangrove pens. The water quality parameters recorded in the pens were favorable for the growth and recovery of the mud crab and milkfish, except for dissolved oxygen (DO). It was found to be the reason for the total mortality of the stocked milkfish. For mud crab, the highest mean recovery was recorded in T₂ (34.41%), followed by T₃ (26.91%) and the lowest in T1 (21.50%). The production rate followed the same trend as the recovery, where T₂ (74.49 g/m²) obtained the highest, followed by T₃ (55 g/m2) and the lowest was in T₁ (34.87 g/m²). The statistical analysis revealed that the variations of the mud crab recovery were not significant, while in terms of production rate, modified mangrove pens were found to be more effective than the existing design. Due to the total mortality of the cultured milkfish, the current set-up of modified mangrove pens was found to be not suitable for the polyculture system of milkfish and mud crab production.

Keywords: aquasilviculture, milkfish, modified mangrove pen, mud crab, polyculture, production rate

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Authors: Héctor González Espinosa, Ricardo Ivan Cordova Chávez, Alejandra Contreras Ramos, Itzia Irene Padilla Martínez, José Guadalupe Trujillo Ferrara, Marvin Antonio Soriano Ursúa

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Boronic acids are able to create diester bonds with carbohydrates because of their hydroxyl groups; in nature, there are some organoborates with these characteristics, such as the calcium fructoborate, formed by the union of two fructose molecules and a boron atom, synthesized by plants. In addition, it has been observed that, in animal cells only the compounds with cis-diol functional groups are capable of linking to boric or boronic acids. The formation of these organoboron compounds could impair the physical and chemical properties of the precursors, even their acute toxicity. In this project, two carbohydrate-derived boron-containing compounds from D-fructose and D-arabinose and phenylboronic acid are analyzed by different spectroscopy techniques such as Raman, Infrared with Fourier Transform Infrared (FT-IR), Nuclear Magnetic Resonance (NMR) and X-ray diffraction crystallography to describe their chemical characteristics. Also, an acute toxicity test was performed to determine their LD50 using the Lorke’s method. It was confirmed by multiple spectra the formation of the adducts by the generation of the diester bonds with a β-D-pyranose of fructose and arabinose. The most prominent findings were the presence of signals corresponding to the formation of new bonds, like the stretching of B-O bonds, or the absence of signals of functional groups like the hydroxyls presented in the reagents used for the synthesis of the adducts. The NMR spectra yielded information about the stereoselectivity in the synthesis reaction, observed by the interaction of the protons and their vicinal atoms in the anomeric and second position carbons; but also, the absence of a racemic mix by the finding of just one signal in the range for the anomeric carbon in the 13C NMR spectra of both adducts. The acute toxicity tests by the Lorke’s method showed that the LD50 value for both compounds is 1265 mg/kg. Those results let us to propose these adducts as highly safe agents for further biological evaluation with medical purposes.

Keywords: acute toxicity, adduct, boron, carbohydrate, diester bond

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Authors: Marvin Eslava

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The over-arching aim of this research is to determine the potential contribution of local food resources to the tourism growth of Nueva Vizcaya. It reviews some of the underpinning concepts and to provide a set of considerations for stakeholders to maximize the opportunity of local food can offer to businesses and the wider community. The basis of the study is to develop a sustainable food tourism model for Nueva Vizcaya. For the purpose of this research, there were 60 total numbers of respondents classified as samples from a six municipality. The respondents of the study were stakeholder consisting of government official, local producers, businessman and Non-government organizations in the selected municipalities of Nueva Vizcaya. Stratified purposive sampling was the appropriate technique that was used to the local government officials and employees, NGOs including the businessmen who are associated with local food resources and local producers. The documentary study, focus group discussion and survey questionnaire was used in order to meet the objectives of the study. Kruskall Wallis test was used to test the variances the ratings of the participants. This was used in the computation of hypothesis. The study concluded that the province of Nueva Vizcaya is blessed for its rich farmlands and fertile mountain soil boasts to produce high quality agricultural products. It is a home of various different indigenous groups creating a wide range of local cuisine. The province has substantial local food development evidence by the various food tourism related resources, increase in facilities and celebrating food tourism related events. The local food resources provide extensive potential economic empowerment and help in building the identity of the province. In addition, the local food resources extensively enhance the agriculture sector and other attractions in the province. Finally, it helps to preserve the authenticity of the food culture and generated pride among all stakeholders extensively. All stakeholders have the same perception on the potential contribution of local food resources to the development of the province of Nueva Vizcaya. The public and private sectors are cognizant on their roles to support the production of local food resources in Nueva Vizcaya. Major challenges and barriers in the development of sustainable food tourism in Nueva Vizcaya include production or supply and marketing.

Keywords: local food resources, contribution, food tourism, benefits

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Authors: Salah Belaidi

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We have carried out extensive and in-depth research to search for bioactive compounds based on Algerian plants. A selection of 50 ligands from Algerian medicinal plants. Several compounds used in herbal medicine have been drawn using Marvin Sketch software. We determined the three-dimensional structures of the ligands with the MMFF94 force field in order to prepare these ligands for molecular docking. The 3D protein structure of the SARS-CoV-2 main protease was taken from the Protein Data Bank. We used AutoDockVina software to apply molecular docking. The hydrogen atoms were added during the molecular docking process, and all the twist bonds of the ligands were added using the (ligand) module in the AutoDock software. The COVID-19 main protease (Mpro) is a key enzyme that plays a vital role in viral transcription and mediating replication, so it is a very attractive drug target for SARS-CoV-2. In this work, an evaluation was carried out on the biologically active compounds present in these selected medicinal plants as effective inhibitors of the protease enzyme of COVID-19, with an in-depth computational calculation of the molecular docking using the Autodock Vina software. The top 7 ligands: Phloroglucinol, Afzelin, Myricetin-3-O- rutinosidTricin 7-neohesperidoside, Silybin, Silychristinthat and Kaempferol are selected among the 50 molecules studied which are Algerian medicinal plants, whose selection is based on the best binding energy which is relatively low compared to the reference molecule with binding affinities of -9.3, -9.3, -9, -8.9, -8 .5, 8.3 and -8.3 kcal mol-1 respectively. Then, we analyzed the ADME properties of the best7 ligands using the web server SwissADME. Two ligands (Silybin, Silychristin) were found to be potential candidates for the discovery and design of novel drug inhibitors of the protease enzyme of SARS-CoV-2. The stability of the two ligands in complexing with the Mpro protease was validated by molecular dynamics simulation; they revealed a stable trajectory in both techniques, RMSD and RMSF, by showing molecular properties with coherent interactions in molecular dynamics simulations. Finally, we conclude that the Silybin ligand forms a more stable complex with the Mpro protease compared to the Silychristin ligand.

Keywords: COVID-19, medicinal plants, molecular docking, ADME properties, molecular dynamics

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