Search results for: high strain rate
Commenced in January 2007
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Edition: International
Paper Count: 25826

Search results for: high strain rate

14696 Reinforcement-Learning Based Handover Optimization for Cellular Unmanned Aerial Vehicles Connectivity

Authors: Mahmoud Almasri, Xavier Marjou, Fanny Parzysz

Abstract:

The demand for services provided by Unmanned Aerial Vehicles (UAVs) is increasing pervasively across several sectors including potential public safety, economic, and delivery services. As the number of applications using UAVs grows rapidly, more and more powerful, quality of service, and power efficient computing units are necessary. Recently, cellular technology draws more attention to connectivity that can ensure reliable and flexible communications services for UAVs. In cellular technology, flying with a high speed and altitude is subject to several key challenges, such as frequent handovers (HOs), high interference levels, connectivity coverage holes, etc. Additional HOs may lead to “ping-pong” between the UAVs and the serving cells resulting in a decrease of the quality of service and energy consumption. In order to optimize the number of HOs, we develop in this paper a Q-learning-based algorithm. While existing works focus on adjusting the number of HOs in a static network topology, we take into account the impact of cells deployment for three different simulation scenarios (Rural, Semi-rural and Urban areas). We also consider the impact of the decision distance, where the drone has the choice to make a switching decision on the number of HOs. Our results show that a Q-learning-based algorithm allows to significantly reduce the average number of HOs compared to a baseline case where the drone always selects the cell with the highest received signal. Moreover, we also propose which hyper-parameters have the largest impact on the number of HOs in the three tested environments, i.e. Rural, Semi-rural, or Urban.

Keywords: drones connectivity, reinforcement learning, handovers optimization, decision distance

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14695 The Use of Nano-Crystalline Starch in Probiotic Yogurt and Its Effects on the Physicochemical and Biological Properties

Authors: Ali Seirafi

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The purpose of this study was to investigate the effect and application of starch nanocrystals on physicochemical and microbial properties in the industrial production of probiotic yogurt. In this study, probiotic yoghurt was manufactured by industrial method with the optimization and control of the technological factors affecting the probabilistic biomass, using probiotic bacteria Lactobacillus acidophilus and Bifidobacterium bifidum with commonly used yogurt primers. Afterwards, the effects of different levels of fat (1.3%, 2.5 and 4%), as well as the effects of various perbiotic compounds include starch nanocrystals (0.5%, 1 and 1.5%), galactolegalosaccharide (0.5% 1 and 1.5%) and fructooligosaccharide (0.5%, 1 and 1.5%) were evaluated. In addition, the effect of packaging (polyethylene and glass) was studied, while the effect of pH changes and final acidity were studied at each stage. In this research, all experiments were performed in 3 replications and the results were analyzed in a completely randomized design with SAS version 9.1 software. The results of this study showed that the addition of starch nanocrystal compounds as well as the use of glass packaging had the most positive effects on the survival of Lactobacillus acidophilus bacteria and the addition of nano-crystals and the increase in the cooling rate of the product, had the most positive effects on the survival of bacteria Bifidobacterium bifidum.

Keywords: Bifidobacterium bifidum, Lactobacillus acidophilus, prebiotics, probiotic yogurt

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14694 Gender Mainstreaming at the Institute of Technology Tribhuvan University Nepal: A Collaborative Approach to Architecture and Design Education

Authors: Martina Maria Keitsch, Sangeeta Singh

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There has been a growing recognition that sustainable development needs to consider economic, social and environmental aspects including gender. In Nepal, the majority of the population lives in rural areas, and many households do not have access to electricity. In rural areas, the difficulty of accessing energy is becoming one of the greatest constraints for improving living conditions. This is particularly true for women and children, who spent much time for collecting firewood and cooking and thus are often deprived of time for education, political- and business activities. The poster introduces an education and research project financed by the Norwegian Government. The project runs from 2015-2020 and is a collaboration between the Norwegian University of Science (NTNU) and Technology Institute of Engineering (IOE), Tribhuvan University. It has the title Master program and Research in Energy for Sustainable Social Development Energy for Sustainable Social Development (MSESSD). The project addresses engineering and architecture students and comprises several integral activities towards gender mainstreaming. The following activities are conducted; 1. Creating academic opportunities, 2. Updating administrative personnel on strategies to effectively include gender issues, 3. Integrating female and male stakeholders in the design process, 4. Sensitizing female and male students for gender issues in energy systems. The project aims to enable students to design end-user-friendly solutions which can, for example, save time that can be used to generate and enhance income. Relating to gender mainstreaming, design concepts focus on smaller-scale technologies, which female stakeholders can take control of and manage themselves. Creating academic opportunities, we have a 30% female students’ rate in each master student batch in the program with the goal to educate qualified female personnel for academia and policy-making/government. This is a very ambitious target in a Nepalese context. The rate of female students, who completed the MSc program at IOE between 1998 and January 2015 is 10% out of 180 students in total. For recruiting, female students were contacted personally and encouraged to apply for the program. Further, we have established a Master course in gender mainstreaming and energy. On an administrative level, NTNU has hosted a training program for IOE on gender-mainstreaming information and -strategies for academic education. Integrating female and male stakeholders, local women groups such as, e.g., mothers group are actively included in research and education for example in planning, decision-making, and management to establish clean energy solutions. The project meets women’s needs not just practically by providing better technology, but also strategically by providing solutions that enhance their social and economic decision-making authority. Sensitizing the students for gender issues in energy systems, the project makes it mandatory to discuss gender mainstreaming based on the case studies in the Master thesis. All activities will be discussed in detail comprising an overview of MSESSD, the gender mainstreaming master course contents’, and case studies where energy solutions were co-designed with men and women as lead-users and/or entrepreneurs. The goal is to motivate educators to develop similar forms of transnational gender collaboration.

Keywords: knowledge generation on gender mainstreaming, sensitizing students, stakeholder inclusion, education strategies for design and architecture in gender mainstreaming, facilitation for cooperation

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14693 Banana Peels as an Eco-Sorbent for Manganese Ions

Authors: M. S. Mahmoud

Abstract:

This study was conducted to evaluate the manganese removal from aqueous solution using Banana peels activated carbon (BPAC). Batch experiments have been carried out to determine the influence of parameters such as pH, biosorbent dose, initial metal ion concentrations and contact times on the biosorption process. From these investigations, a significant increase in percentage removal of manganese 97.4 % is observed at pH value 5.0, biosorbent dose 0.8 g, initial concentration 20 ppm, temperature 25 ± 2 °C, stirring rate 200 rpm and contact time 2 h. The equilibrium concentration and the adsorption capacity at equilibrium of the experimental results were fitted to the Langmuir and Freundlich isotherm models; the Langmuir isotherm was found to well represent the measured adsorption data implying BPAC had heterogeneous surface. A raw groundwater samples were collected from Baharmos groundwater treatment plant network at Embaba and Manshiet Elkanater City/District-Giza, Egypt, for treatment at the best conditions that reached at first phase by BPAC. The treatment with BPAC could reduce iron and manganese value of raw groundwater by 91.4 % and 97.1 %, respectively and the effect of the treatment process on the microbiological properties of groundwater sample showed decrease of total bacterial count either at 22°C or at 37°C to 85.7 % and 82.4 %, respectively. Also, BPAC was characterized using SEM and FTIR spectroscopy.

Keywords: biosorption, banana peels, isothermal models, manganese

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14692 Temporal Trends in the Urban Metabolism of Riyadh, Saudi Arabia

Authors: Naif Albelwi, Alan Kwan, Yacine Rezgui

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Cities with rapid growth face tremendous challenges not only to provide services to meet this growth but also to assure that this growth occurs in a sustainable way. The consumption of material, energy, and water resources is inextricably linked to population growth with a unique impact in urban areas, especially in light of significant investments in infrastructure to support urban development. Urban Metabolism (UM) is becoming popular as it provides a framework accounting the mass and energy flows through a city. The objective of this study is to determine the energy and material flows of Riyadh, Saudi Arabia using locally generated data from 1996 and 2012 and analyzing the temporal trends of energy and material flows. Preliminary results show that while the population of Riyadh grew 90% since 1996, the input and output flows have increased at higher rate. Results also show increasing in energy mobile consumption from 61k TJ in 1996 to 157k TJ in 2012 which points to Riyadh’s inefficient urban form. The study findings highlight the importance to develop effective policies for improving the use of resources.

Keywords: energy and water consumption, sustainability, urban development, urban metabolism

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14691 Application of Metakaolin from Northeast of Thailand Used as Binder in Casting Process of Rice Polishing Cylinder

Authors: T. Boonkang, C. Santhaweesuk, N. Pianthong, P. Neeramon, A. Phimhlo, S. Bangphan

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The objective of this research was to apply metakaolin from northeast of Thailand as a binder in the casting process of rice polishing cylinder in replacement of the imported calcined magnesite cement and to reduce the production cost of the cylinder. Metakaolin was obtained from three different regions (Udon Thani, Nakhon Phanom, and Ubon Ratchathani). The design of experiment analysis using the MINITAB Release 14 based on the compressive strength and tensile strength testing was conducted. According to the analysis results, it was found that the optimal proportions were calcined magnesite cement: metakaolin from Udon Thani, Nakhon Phanom and Ubon Ratchathani equal to 63:37, 71:29, and 100:0, respectively. When used this formula to cast the cylinder and test the rice milling, it was found that the average broken rice percent was 32.52 and 38.29 for the cylinder contained the metakaolin from Udon Thani and Nakhon Phanom, respectively, which implied that the cylinder which contained the metakaolin from Udon Thani has higher efficiency than the cylinder which contained the metakaolin from Nakhon Phanom at 0.05 level of statistical significance. Whereas, the average wear rate of cylinder from both resources were 7.27 and 6.53 g/h, respectively.

Keywords: binder, casting, metakaolin, rice polishing cylinder

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14690 Feasibility of Agro Waste-Derived Adsorbent for Colour Removal

Authors: U. P. L. Wijayarathne, P. W. Vidanage, H. K. D. Jayampath, K. W. P. M. Kothalawala

Abstract:

Feasibility of utilizing Empty Bunch (EB) fibre, a solid waste of palm oil extraction process, as an adsorbent is analysed in this study. Empty bunch fibre is generated after the extraction of retained oil in the sterilized and threshed empty fruit bunches. Besides the numerous characteristics of EB fibre, which enable its utilization as a fuel, a bio-composite material, or mulch, EB fibre also shows exceptional characteristics of a good adsorbent. Fixed bed adsorption method is used to study the adsorptivity of EB fibre using a continuous adsorption column with Methyl-blue (1.13ppm) as the feed. Adsorptivity is assumed to be solely dependent on the bed porosity keeping other parameters (feed flow rate, bed height, bed diameter, and operating temperature) constant. Bed porosity is changed by means of compact ratio and the variation of the feed concentration is analysed using a photometric method. Break through curves are plotted at different porosity levels and optimum bed porosity is identified for a given feed stream. Feasibility of using the EB fibre as an inexpensive and an abundant adsorbent in wastewater treatment facilities, where the effluent colour reduction is adamant, is also discussed.

Keywords: adsorption, fixed bed, break through time, methylene blue, oil palm fibre

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14689 Periodontal Soft Tissue Sculpturing and Use of Interim Appliance for Rehabilitation of Anterior Edentulousness: Case Report

Authors: Hande Yesil, Seda Aycan Altan, M. Vehbi Bal, Alper Uyar, O. Cumhur Sipahi

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Purpose: Fixed partial dentures (FPDs) must fulfill functional requirements such as phonetics, chewing efficiency and esthetics especially in the anterior region. A convex type tissue surface is usually recommended for pontics of FPDs. That pontic design also provides suitable oral hygiene and ease of cleaning. However, high esthetic requirements and correct emergence profile are not always achievable because of the convex shape of adjacent soft tissues. Therefore, the ovate type pontic which fulfills the high esthetic demands of the patients may be a good alternative to the modified ridge lap pontic design. Clinical Report: A female patient referred with the complaint of anterior upper edentulousness. In the oral examination it was determined that teeth 11, 12, 21, 22 were deficient. A thick and convex gingival tissue that may cause aesthetic problems was also observed.. Periodontal augmentation surgery was performed to ensure proper papillary configuration and gingival contour. An interim removable partial denture (IRPD) which applied pressure to operated gingival tissues was fabricated postoperatively. The IRPD was used for 4 weeks and after completion of tissue sculpting, the permanent FPD with an ovate pontic was fabricated and cemented. After a follow-up period of 6 months, not any esthetical and hygienic problem was detected and the patient was satisfied with her prosthesis. Conclusion: It was concluded that shaping of gingival contours with IRPD and use of a FPD with ovate pontic fulfills all esthetic and hygienic requirements.

Keywords: interim appliance, ovate pontic, tissue sculpturing, fixed partial denture

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14688 Full-Scale Test of a Causeway Embankment Supported by Raft-Aggregate Column Foundation on Soft Clay Deposit

Authors: Tri Harianto, Lawalenna Samang, St. Hijraini Nur, Arwin

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Recently, a port development is constructed in Makassar city, South Sulawesi Province, Indonesia. Makassar city is located in lowland area that dominated by soft marine clay deposit. A two kilometers causeway construction was built which is situated on the soft clay layer. In order to investigate the behavior of causeway embankment, a full-scale test was conducted of high embankment built on a soft clay deposit. The embankment with 3,5 m high was supported by two types of reinforcement such as raft and raft-aggregate column foundation. Since the ground was undergoing consolidation due to the preload, the raft and raft-aggregate column foundations were monitored in order to analyze the vertical ground movement by inducing the settlement of the foundation. In this study, two types of foundation (raft and raft-aggregate column) were tested to observe the effectiveness of raft-aggregate column compare to raft foundation in reducing the settlement. The settlement monitored during the construction stage by using the settlement plates, which is located in the center and toe of the embankment. Measurements were taken every day for each embankment construction stage (4 months). In addition, an analytical calculation was conducted in this study to compare the full-scale test result. The result shows that the raft-aggregate column foundation significantly reduces the settlement by 30% compared to the raft foundation. A raft-aggregate column foundation also reduced the time period of each loading stage. The Good agreement of analytical calculation compared to the full-scale test result also found in this study.

Keywords: full-scale, preloading, raft-aggregate column, soft clay

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14687 Reliability of Social Support Measurement Modification of the BC-SSAS among Women with Breast Cancer Who Undergone Chemotherapy in Selected Hospital, Central Java, Indonesia

Authors: R. R. Dewi Rahmawaty Aktyani Putri, Earmporn Thongkrajai, Dedy Purwito

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There were many instruments have been developed to assess social support which has the different dimension in breast cancer patients. The Issue of measurement is a challenge to determining the component of dimensional concept, defining the unit of measurement, and establishing the validity and reliability of the measurement. However, the instruments where need to know how much support which obtained and perceived among women with breast cancer who undergone chemotherapy which it can help nurses to prevent of non-adherence in chemotherapy. This study aimed to measure the reliability of BC-SSAS instrument among 30 Indonesian women with breast cancer aged 18 years and above who undergone chemotherapy for six cycles in the oncological unit of Outpatient Department (OPD), Margono Soekardjo Hospital, Central Java, Indonesia. Data were collected during October to December 2015 by using modified the Breast Cancer Social Support Assessment (BC-SSAS). The Cronbach’s alpha analysis was carried out to measure internal consistency for reliability test of BC-SSAS instrument. This study used five experts for content validity index. The results showed that for content validity, I-CVI was 0.98 and S-CVI was 0.98; Cronbach’s alpha value was 0.971 and the Cronbach’s alpha coefficients for the subscales were high, with 0.903 for emotional support, 0.865 for informational support, 0.901 for tangible support, 0.897 for appraisal support and 0.884 for positive interaction support. The results confirmed that the BC-SSAS instrument has high reliability. BC-SSAS instruments were reliable and can be used in health care services to measure the social support received and perceived among women with breast cancer who undergone chemotherapy so that preventive interventions can be developed and the quality of health services can be improved.

Keywords: BC-SSAS, women with breast cancer, chemotherapy, Indonesia

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14686 The Results of Longitudinal Water Quality Monitoring of the Brandywine River, Chester County, Pennsylvania by High School Students

Authors: Dina L. DiSantis

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Strengthening a sense of responsibility while relating global sustainability concepts such as water quality and pollution to a local water system can be achieved by teaching students to conduct and interpret water quality monitoring tests. When students conduct their own research, they become better stewards of the environment. Providing outdoor learning and place-based opportunities for students helps connect them to the natural world. By conducting stream studies and collecting data, students are able to better understand how the natural environment is a place where everything is connected. Students have been collecting physical, chemical and biological data along the West and East Branches of the Brandywine River, in Pennsylvania for over ten years. The stream studies are part of the advanced placement environmental science and aquatic science courses that are offered as electives to juniors and seniors at the Downingtown High School West Campus in Downingtown, Pennsylvania. Physical data collected includes: temperature, turbidity, width, depth, velocity, and volume of flow or discharge. The chemical tests conducted are: dissolved oxygen, carbon dioxide, pH, nitrates, alkalinity and phosphates. Macroinvertebrates are collected with a kick net, identified and then released. Students collect the data from several locations while traveling by canoe. In the classroom, students prepare a water quality data analysis and interpretation report based on their collected data. The summary of the results from longitudinal water quality data collection by students, as well as the strengths and weaknesses of student data collection will be presented.

Keywords: place-based, student data collection, sustainability, water quality monitoring

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14685 Exploratory Research on Outsourcing Practices and Benefits on Telecommunication Industry in Oman

Authors: Alyamama Alsaidi

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This research has been conducted in order to analyse the impact of outsourcing on telecommunication industry in Oman. The research is conducted by collecting qualitative and quantitative data in order to widen the area of comprehension. The data has been collected from genuine sources which showcased that results were reliable and possess validity. The outsourcing is very important because it helps the organisation in saving the cost and efforts of the workers. In Oman, the telecommunication industry largely uses the outsourcing service which is provided by the third party. The third party is responsible for providing outsourcing to the telecommunication companies. This research gives an overall view of the outsourcing in the telecommunication companies of Oman. The IT companies of Oman give their work to the outsourcing services as this will help in reducing the cost the project. Rather employing the experts to do the projects, the organization can easily give their products to the outsourcing services in which they complete the work for a cheaper rate for the telecommunication company of Oman. It will help in reducing the work load on the staffs and management of the telecommunication companies in Oman. The IT outsourcing in Oman is very common because some of the staff are not well experienced to do the IT work. The outsourcing has positive as well as negative impact on the telecommunication industry in Oman. The research has been done while considering ethical aspect in an effective and efficient manner. Furthermore, the literature is adequately reviewed so that views of various specialists can be considered for future guidance.

Keywords: IT outsourcing, client company, services company, telecommunication

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14684 Chemical Composition and Nutritional Value of Leaves and Pods of Leucaena Leucocephala, Prosopis Laevigata and Acacia Farnesiana in a Xerophyllous Shrubland

Authors: Miguel Mellado, Cecilia Zapata

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Goats can be exploited in harsh environments due to their capacity to adjust to limited quantity and quality forage sources. In these environments, leguminous trees can be used as supplementary feeds as foliage and fruits of these trees can contribute to maintain or improve production efficiency in ruminants. The objective of this study was to determine the nutritional value of three leguminous trees heavily selected by goats in a xerophyllous shrubland. Chemical composition and in vitro dry matter disappearance (IVDMD) of leaves and pods from leucaena (Leucaena leucocephala), mesquite (Prosopis laevigata) and huisache (Acacia farnesiana) is presented. Crude protein (CP) ranged from 17.3% for leaves of huisache to 21.9% for leucaena. The neutral detergent fiber (NDF) content ranged from 39.0 to 40.3 with no difference among fodder threes. Across tree species, mean IVDMD was 61.6% for pods and 52.2% for leaves. IVDMD for leaves was highest (P < 0.01) for leucaena (54.9%) and lowest for huisache (47.3%). Condensed tannins in an acetonic extract were highest for leaves of huisache (45.3 mg CE/g DM) and lowest for mesquite (25.9 mg CE/g DM). Pods and leaves of huisache presented the highest number of secondary metabolites, mainly related to hydrobenzoic acid and flavonols; leucaena and mesquite presented mainly flavonols and anthocyanins. It was concluded that leaves and pods of leucaena, mesquite and huisache constitute valuable forages for ruminant livestock due to its low fiber, high CP levels, moderate in vitro fermentation characteristics and high mineral content. Keywords: Fodder tree; ruminants; secondary metabolites; minerals; tannins

Keywords: fodder tree, ruminants, secondary metabolites, minerals, tannins

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14683 The Role of Arousal in Time Perception: Implications for Emotional Driving

Authors: Ewa Siedlecka

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Emotional stress is an important risk factor in the rate and severity of traffic accidents. Moreover, incorrect time perception is implicated in the increase of traffic violations, such as running red lights or collisions. While the role of emotional arousal on perceived time is well-established, the role of physiological arousal in time perception remains unexamined. Specific emotions can be, however, associated with distinct physiological responses. In the current research, two studies examined the role of physiological arousal in time perception. In the first experiment, 41 participants engaged in a cold pressor task and had their time perception measured throughout the experiment. In the second study, 138 participants engaged in either isometric or deep breathing exercises. These activities were designed to simulate the sympathetic and parasympathetic nervous systems, respectively. Participants completed a bisection task to measure time perception in both studies, as well as a physiological response via an Electrocardiography (ECG). Results found that activation of the parasympathetic nervous system is associated with greater time perception. These findings are discussed with reference to models of time perception, as well as implications for emotional driving and misperceptions of speed. It is important to consider the role of physiology in the misperception of time, as these factors can lead to increases in driving accidents.

Keywords: emotions, nervous system, physiology, time perception

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14682 Concerted Strategies for Sustainable Water Resource Management in Semi-Arid Rajasthan State of India

Authors: S. K. Maanju, K. Saha, Sonam Yadav

Abstract:

Rapid urbanization growth and multi-faceted regional level industrialization is posing serious threat to natural groundwater resource in State of Rajasthan which constitute major semi-arid part of India. The groundwater resources of the State are limited and cannot withstand the present rate of exploitation for quite a long time. Recharging of groundwater particularly in the western part, where annual precipitation does not exceed a few centimeters, is extremely slow and cannot replenish the exploited quantum. Hence, groundwater in most of the parts of this region has become an exhausting resource. In major parts water table is lowering down rapidly and continuously. The human beings of this semi-arid region are used to suffering from extreme climatic conditions of arid to semi-arid nature and acute shortage of water. The quality of groundwater too in many areas of this region is not up to the standards prescribed by the health organizations like WHO and BIS. This semi-arid region is one of the highly fluoride contaminated area of India as well as have excess, nitrates, sulphates, chlorides and total dissolved solids at various locations. Therefore, concerted efforts are needed towards sustainable development of groundwater in this State of India.

Keywords: Rajasthan, water, exploitation, sustainable, development and resource

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14681 The Effect of Porous Alkali Activated Material Composition on Buffer Capacity in Bioreactors

Authors: Girts Bumanis, Diana Bajare

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With demand for primary energy continuously growing, search for renewable and efficient energy sources has been high on agenda of our society. One of the most promising energy sources is biogas technology. Residues coming from dairy industry and milk processing could be used in biogas production; however, low efficiency and high cost impede wide application of such technology. One of the main problems is management and conversion of organic residues through the anaerobic digestion process which is characterized by acidic environment due to the low whey pH (<6) whereas additional pH control system is required. Low buffering capacity of whey is responsible for the rapid acidification in biological treatments; therefore alkali activated material is a promising solution of this problem. Alkali activated material is formed using SiO2 and Al2O3 rich materials under highly alkaline solution. After material structure forming process is completed, free alkalis remain in the structure of materials which are available for leaching and could provide buffer capacity potential. In this research porous alkali activated material was investigated. Highly porous material structure ensures gradual leaching of alkalis during time which is important in biogas digestion process. Research of mixture composition and SiO2/Na2O and SiO2/Al2O ratio was studied to test the buffer capacity potential of alkali activated material. This research has proved that by changing molar ratio of components it is possible to obtain a material with different buffer capacity, and this novel material was seen to have considerable potential for using it in processes where buffer capacity and pH control is vitally important.

Keywords: alkaline material, buffer capacity, biogas production, bioreactors

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14680 A Multicriteria Framework for Assessing Energy Audit Software for Low-Income Households

Authors: Charles Amoo, Joshua New, Bill Eckman

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Buildings in the United States account for a significant proportion of energy consumption and greenhouse gas (GHG) emissions, and this trend is expected to continue as well as rise in the near future. Low-income households, in particular, bear a disproportionate burden of high building energy consumption and spending due to high energy costs. Energy efficiency improvements need to reach an average of 4% per year in this decade in order to meet global net zero emissions target by 2050, but less than 1 % of U.S. buildings are improved each year. The government has recognized the importance of technology in addressing this issue, and energy efficiency programs have been developed to tackle the problem. The Weatherization Assistance Program (WAP), the largest residential whole-house energy efficiency program in the U.S., is specifically designed to reduce energy costs for low-income households. Under the WAP, energy auditors must follow specific audit procedures and use Department of Energy (DOE) approved energy audit tools or software. This article proposes an expanded framework of factors that should be considered in energy audit software that is approved for use in energy efficiency programs, particularly for low-income households. The framework includes more than 50 factors organized under 14 assessment criteria and can be used to qualitatively and quantitatively score different energy audit software to determine their suitability for specific energy efficiency programs. While the tool can be useful for developers to build new tools and improve existing software, as well as for energy efficiency program administrators to approve or certify tools for use, there are limitations to the model, such as the lack of flexibility that allows continuous scoring to accommodate variability and subjectivity. These limitations can be addressed by using aggregate scores of each criterion as weights that could be combined with value function and direct rating scores in a multicriteria decision analysis for a more flexible scoring.

Keywords: buildings, energy efficiency, energy audit, software

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14679 Present State of Local Public Transportation Service in Local Municipalities of Japan and Its Effects on Population

Authors: Akiko Kondo, Akio Kondo

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We are facing regional problems to low birth rate and longevity in Japan. Under this situation, there are some local municipalities which lose their vitality. The aims of this study are to clarify the present state of local public transportation services in local municipalities and relation between local public transportation services and population quantitatively. We conducted a questionnaire survey concerning regional agenda in all local municipalities in Japan. We obtained responses concerning the present state of convenience in use of public transportation and local public transportation services. Based on the data gathered from the survey, it is apparent that we should some sort of measures concerning public transportation services. Convenience in use of public transportation becomes an object of public concern in many rural regions. It is also clarified that some local municipalities introduce a demand bus for the purpose of promotion of administrative and financial efficiency. They also introduce a demand taxi in order to secure transportation to weak people in transportation and eliminate of blank area related to public transportation services. In addition, we construct a population model which includes explanatory variables of present states of local public transportation services. From this result, we can clarify the relation between public transportation services and population quantitatively.

Keywords: public transportation, local municipality, regional analysis, regional issue

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14678 Genetic Structuring of Four Tectona grandis L. F. Seed Production Areas in Southern India

Authors: P. M. Sreekanth

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Teak (Tectona grandis L. f.) is a tree species indigenous to India and other Southeastern countries. It produces high-value timber and is easily established in plantations. Reforestation requires a constant supply of high quality seeds. Seed Production Areas (SPA) of teak are improved stands used for collection of open-pollinated quality seeds in large quantities. Information on the genetic diversity of major teak SPAs in India is scanty. The genetic structure of four important seed production areas of Kerala State in Southern India was analyzed employing amplified fragment length polymorphism markers using ten selective primer combinations on 80 samples (4 populations X 20 trees). The study revealed that the gene diversity of the SPAs varied from 0.169 (Konni SPA) to 0.203 (Wayanad SPA). The percentage of polymorphic loci ranged from 74.42 (Parambikulam SPA) to 84.06 (Konni SPA). The mean total gene diversity index (HT) of all the four SPAs was 0.2296 ±0.02. A high proportion of genetic diversity was observed within the populations (83%) while diversity between populations was lower (17%) (GST = 0.17). Principal coordinate analysis and STRUCTURE analysis of the genotypes indicated that the pattern of clustering was in accordance with the origin and geographic location of SPAs, indicating specific identity of each population. A UPGMA dendrogram was prepared and showed that all the twenty samples from each of Konni and Parambikulam SPAs clustered into two separate groups, respectively. However, five Nilambur genotypes and one Wayanad genotype intruded into the Konni cluster. The higher gene flow estimated (Nm = 2.4) reflected the inclusion of Konni origin planting stock in the Nilambur and Wayanad plantations. Evidence for population structure investigated using 3D Principal Coordinate Analysis of FAMD software 1.30 indicated that the pattern of clustering was in accordance with the origin of SPAs. The present study showed that assessment of genetic diversity in seed production plantations can be achieved using AFLP markers. The AFLP fingerprinting was also capable of identifying the geographical origin of planting stock and there by revealing the occurrence of the errors in genotype labeling. Molecular marker-based selective culling of genetically similar trees from a stand so as to increase the genetic base of seed production areas could be a new proposition to improve quality of seeds required for raising commercial plantations of teak. The technique can also be used to assess the genetic diversity status of plus trees within provenances during their selection for raising clonal seed orchards for assuring the quality of seeds available for raising future plantations.

Keywords: AFLP, genetic structure, spa, teak

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14677 Low Voltage and High Field-Effect Mobility Thin Film Transistor Using Crystalline Polymer Nanocomposite as Gate Dielectric

Authors: Debabrata Bhadra, B. K. Chaudhuri

Abstract:

The operation of organic thin film transistors (OFETs) with low voltage is currently a prevailing issue. We have fabricated anthracene thin-film transistor (TFT) with an ultrathin layer (~450nm) of Poly-vinylidene fluoride (PVDF)/CuO nanocomposites as a gate insulator. We obtained a device with excellent electrical characteristics at low operating voltages (<1V). Different layers of the film were also prepared to achieve the best optimization of ideal gate insulator with various static dielectric constant (εr ). Capacitance density, leakage current at 1V gate voltage and electrical characteristics of OFETs with a single and multi layer films were investigated. This device was found to have highest field effect mobility of 2.27 cm2/Vs, a threshold voltage of 0.34V, an exceptionally low sub threshold slope of 380 mV/decade and an on/off ratio of 106. Such favorable combination of properties means that these OFETs can be utilized successfully as voltages below 1V. A very simple fabrication process has been used along with step wise poling process for enhancing the pyroelectric effects on the device performance. The output characteristic of OFET after poling were changed and exhibited linear current-voltage relationship showing the evidence of large polarization. The temperature dependent response of the device was also investigated. The stable performance of the OFET after poling operation makes it reliable in temperature sensor applications. Such High-ε CuO/PVDF gate dielectric appears to be highly promising candidates for organic non-volatile memory and sensor field-effect transistors (FETs).

Keywords: organic field effect transistors, thin film transistor, gate dielectric, organic semiconductor

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14676 Characteristics of Autism Spectrum Disorder Patient and Perception of Caregiver Regarding Speech and Language Therapy in Bangladesh

Authors: K. M. Saif Ur Rahman, Razib Mamun, Himica Arjuman, Fida Al Shams

Abstract:

Introduction: Autism spectrum disorder (ASD) has become an emerging neurodevelopmental disorder with increasing prevalence. It has become an important public health issue globally. Many approaches including speech and language therapy (SLT), occupational therapy, behavioral therapy etc. are being applied for the betterment of the ASD patients. This study aims to describe the characteristics of ASD patients and perception of caregiver regarding SLT in Bangladesh. Methods: This cross-sectional study was conducted in a therapy and rehabilitation center at Dhaka city. Caregivers of 48 ASD patients responded regarding their perception of SLT and characteristics of patients. Results: Among 48 ASD patients, 56.3% were between 3 to 5 years age group with a male predominance (87.5%). More than half of the participants (56.3%) initiated SLT at the age of 1-3 years and the majority (43.8%) were taking SLT for less than 1 year. Majority of the patients (64.6%) were taken to a physician for healthcare as a first contact of which 29.2% were referred to SLT by physicians. More than half (56.3%) of the caregivers were moderately satisfied with SLT and most of them (62.5%) mentioned moderate improvement through SLT. Improvement rate was 10-15% in specific symptoms such as eye contact, complex mannerism, pointing, imitation etc. Conclusion: This study reveals the self-reported perception of caregivers on SLT. Despite reported improvements, more exploration of different approaches and intervention for management of ASD is recommended.

Keywords: ASD, characteristics, SLT, Bangladesh

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14675 Hybrid Materials on the Basis of Magnetite and Magnetite-Gold Nanoparticles for Biomedical Application

Authors: Mariia V. Efremova, Iana O. Tcareva, Anastasia D. Blokhina, Ivan S. Grebennikov, Anastasia S. Garanina, Maxim A. Abakumov, Yury I. Golovin, Alexander G. Savchenko, Alexander G. Majouga, Natalya L. Klyachko

Abstract:

During last decades magnetite nanoparticles (NPs) attract a deep interest of scientists due to their potential application in therapy and diagnostics. However, magnetite nanoparticles are toxic and non-stable in physiological conditions. To solve these problems, we decided to create two types of hybrid systems based on magnetite and gold which is inert and biocompatible: gold as a shell material (first type) and gold as separate NPs interfacially bond to magnetite NPs (second type). The synthesis of the first type hybrid nanoparticles was carried out as follows: Magnetite nanoparticles with an average diameter of 9±2 nm were obtained by co-precipitation of iron (II, III) chlorides then they were covered with gold shell by iterative reduction of hydrogen tetrachloroaurate with hydroxylamine hydrochloride. According to the TEM, ICP MS and EDX data, final nanoparticles had an average diameter of 31±4 nm and contained iron even after hydrochloric acid treatment. However, iron signals (K-line, 7,1 keV) were not localized so we can’t speak about one single magnetic core. Described nanoparticles covered with mercapto-PEG acid were non-toxic for human prostate cancer PC-3/ LNCaP cell lines (more than 90% survived cells as compared to control) and had high R2-relaxivity rates (>190 mМ-1s-1) that exceed the transverse relaxation rate of commercial MRI-contrasting agents. These nanoparticles were also used for chymotrypsin enzyme immobilization. The effect of alternating magnetic field on catalytic properties of chymotrypsin immobilized on magnetite nanoparticles, notably the slowdown of catalyzed reaction at the level of 35-40 % was found. The synthesis of the second type hybrid nanoparticles also involved two steps. Firstly, spherical gold nanoparticles with an average diameter of 9±2 nm were synthesized by the reduction of hydrogen tetrachloroaurate with oleylamine; secondly, they were used as seeds during magnetite synthesis by thermal decomposition of iron pentacarbonyl in octadecene. As a result, so-called dumbbell-like structures were obtained where magnetite (cubes with 25±6 nm diagonal) and gold nanoparticles were connected together pairwise. By HRTEM method (first time for this type of structure) an epitaxial growth of magnetite nanoparticles on gold surface with co-orientation of (111) planes was discovered. These nanoparticles were transferred into water by means of block-copolymer Pluronic F127 then loaded with anti-cancer drug doxorubicin and also PSMA-vector specific for LNCaP cell line. Obtained nanoparticles were found to have moderate toxicity for human prostate cancer cells and got into the intracellular space after 45 minutes of incubation (according to fluorescence microscopy data). These materials are also perspective from MRI point of view (R2-relaxivity rates >70 mМ-1s-1). Thereby, in this work magnetite-gold hybrid nanoparticles, which have a strong potential for biomedical application, particularly in targeted drug delivery and magnetic resonance imaging, were synthesized and characterized. That paves the way to the development of special medicine types – theranostics. The authors knowledge financial support from Ministry of Education and Science of the Russian Federation (14.607.21.0132, RFMEFI60715X0132). This work was also supported by Grant of Ministry of Education and Science of the Russian Federation К1-2014-022, Grant of Russian Scientific Foundation 14-13-00731 and MSU development program 5.13.

Keywords: drug delivery, magnetite-gold, MRI contrast agents, nanoparticles, toxicity

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14674 Characterization of Fine Particles Emitted by the Inland and Maritime Shipping

Authors: Malika Souada, Juanita Rausch, Benjamin Guinot, Christine Bugajny

Abstract:

The increase of global commerce and tourism makes the shipping sector an important contributor of atmospheric pollution. Both, airborne particles and gaseous pollutants have negative impact on health and climate. This is especially the case in port cities, due to the proximity of the exposed population to the shipping emissions in addition to other multiple sources of pollution linked to the surrounding urban activity. The objective of this study is to determine the concentrations of fine particles (immission), specifically PM2.5, PM1, PM0.3, BC and sulphates, in a context where maritime passenger traffic plays an important role (port area of Bordeaux centre). The methodology is based on high temporal resolution measurements of pollutants, correlated with meteorological and ship movements data. Particles and gaseous pollutants from seven maritime passenger ships were sampled and analysed during the docking, manoeuvring and berthing phases. The particle mass measurements were supplemented by measurements of the number concentration of ultrafine particles (<300 nm diameter). The different measurement points were chosen by taking into account the local meteorological conditions and by pre-modelling the dispersion of the smoke plumes. The results of the measurement campaign carried out during the summer of 2021 in the port of Bordeaux show that the detection of concentrations of particles emitted by ships proved to be punctual and stealthy. Punctual peaks of ultrafine particle concentration in number (P#/m3) and BC (ng/m3) were measured during the docking phases of the ships, but the concentrations returned to their background level within minutes. However, it appears that the influence of the docking phases does not significantly affect the air quality of Bordeaux centre in terms of mass concentration. Additionally, no clear differences in PM2.5 concentrations between the periods with and without ships at berth were observed. The urban background pollution seems to be mainly dominated by exhaust and non-exhaust road traffic emissions. However, temporal high-resolution measurements suggest a probable emission of gaseous precursors responsible for the formation of secondary aerosols related to the ship activities. This was evidenced by the high values of the PM1/BC and PN/BC ratios, tracers of non-primary particle formation, during periods of ship berthing vs. periods without ships at berth. The research findings from this study provide robust support for port area air quality assessment and source apportionment.

Keywords: characterization, fine particulate matter, harbour air quality, shipping impacts

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14673 Study of Strontium Sorption onto Indian Bentonite

Authors: Pankaj Pathak, Susmita Sharma

Abstract:

Incessant industrial growth fulfill the energy demand of present day society, at the same time it produces huge amount of waste which could be hazardous or non-hazardous in nature. These wastes are coming out from different sources viz, nuclear power, thermal power, coal mines which contain different types of contaminants and one of the emergent contaminant is strontium, used in the present study. The isotope of strontium (Sr90) is radioactive in nature with half-life of 28.8 years and permissible limit of strontium in drinking water is 1.5 ppm. Above the permissible limit causes several types of diseases in human being. Therefore, safe disposal of strontium into ground becomes a biggest challenge for the researchers. In this context, bentonite is being used as an efficient material to retain strontium onto ground due to its specific physical, chemical and mineralogical properties which exhibits higher cation exchange capacity and specific surface area. These properties influence the interaction between strontium and bentonite, which is quantified by employing a parameter known as distribution coefficient. Batch test was conducted, and sorption isotherms were modelled at different interaction time. The pseudo first-order and pseudo second order kinetic models have been used to fit experimental data, which helps to determine the sorption rate and mechanism.

Keywords: bentonite, interaction time, sorption, strontium

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14672 Tool Development for Assessing Antineoplastic Drugs Surface Contamination in Healthcare Services and Other Workplaces

Authors: Benoit Atge, Alice Dhersin, Oscar Da Silva Cacao, Beatrice Martinez, Dominique Ducint, Catherine Verdun-Esquer, Isabelle Baldi, Mathieu Molimard, Antoine Villa, Mireille Canal-Raffin

Abstract:

Introduction: Healthcare workers' exposure to antineoplastic drugs (AD) is a burning issue for occupational medicine practitioners. Biological monitoring of occupational exposure (BMOE) is an essential tool for assessing AD contamination of healthcare workers. In addition to BMOE, surface sampling is a useful tool in order to understand how workers get contaminated, to identify sources of environmental contamination, to verify the effectiveness of surface decontamination way and to ensure monitoring of these surfaces. The objective of this work was to develop a complete tool including a kit for surface sampling and a quantification analytical method for AD traces detection. The development was realized with the three following criteria: the kit capacity to sample in every professional environment (healthcare services, veterinaries, etc.), the detection of very low AD traces with a validated analytical method and the easiness of the sampling kit use regardless of the person in charge of sampling. Material and method: AD mostly used in term of quantity and frequency have been identified by an analysis of the literature and consumptions of different hospitals, veterinary services, and home care settings. The kind of adsorbent device, surface moistening solution and mix of solvents for the extraction of AD from the adsorbent device have been tested for a maximal yield. The AD quantification was achieved by an ultra high-performance liquid chromatography method coupled with tandem mass spectrometry (UHPLC-MS/MS). Results: With their high frequencies of use and their good reflect of the diverse activities through healthcare, 15 AD (cyclophosphamide, ifosfamide, doxorubicin, daunorubicin, epirubicin, 5-FU, dacarbazin, etoposide, pemetrexed, vincristine, cytarabine, methothrexate, paclitaxel, gemcitabine, mitomycin C) were selected. The analytical method was optimized and adapted to obtain high sensitivity with very low limits of quantification (25 to 5000ng/mL), equivalent or lowest that those previously published (for 13/15 AD). The sampling kit is easy to use, provided with a didactic support (online video and protocol paper). It showed its effectiveness without inter-individual variation (n=5/person; n= 5 persons; p=0,85; ANOVA) regardless of the person in charge of sampling. Conclusion: This validated tool (sampling kit + analytical method) is very sensitive, easy to use and very didactic in order to control the chemical risk brought by AD. Moreover, BMOE permits a focal prevention. Used in routine, this tool is available for every intervention of occupational health.

Keywords: surface contamination, sampling kit, analytical method, sensitivity

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14671 Production of Size-Selected Tin Nanoclusters for Device Applications

Authors: Ahmad I. Ayesh

Abstract:

This work reports on the fabrication of tin nanoclusters by sputtering and inert-gas condensation inside an ultra-high vacuum compatible system. This technique allows to fine tune the size and yield of nanoclusters by controlling the nanocluster source parameters. The produced nanoclusters are deposited on SiO2/Si substrate with pre-formed electrical electrodes to produce a nanocluster device. Those devices can be potentially used for gas sensor applications.

Keywords: tin, nanoclusters, inert-gas condensation, nanotechnology

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14670 Isolation and Characterization of Chromium Tolerant Staphylococcus aureus from Industrial Wastewater and Their Potential Use to Bioremediate Environmental Chromium

Authors: Muhammad Tariq, Muhammad Waseem, Muhammad Hidayat Rasool

Abstract:

Isolation and characterization of chromium tolerant Staphylococcus aureus from industrial wastewater and their potential use to bioremediate environmental chromium. Objectives: Chromium with its great economic importance in industrial use is major metal pollutant of the environment. Chromium are used in different industries for various applications such as textile, dyeing and pigmentation, wood preservation, manufacturing pulp and paper, chrome plating, steel and tanning. The release of untreated chromium in industrial effluents causes serious threat to environment and human health, therefore, the current study designed to isolate chromium tolerant Staphylococcus aureus for removal of chromium prior to their final discharge into the environment due to its cost effective and beneficial advantage over physical and chemical methods. Methods: Wastewater samples were collected from discharge point of different industries. Heavy metal analysis by atomic absorption spectrophotometer and microbiological analysis such as total viable count, total coliform, fecal coliform and Escherichia coli were conducted. Staphylococcus aureus was identified through gram’s staining, biomeriux vitek 2 microbial identification system and 16S rRNA gene amplification by polymerase chain reaction. Optimum growth conditions with respect to temperature, pH, salt concentrations and effect of chromium on the growth of bacteria, resistance to other heavy metal ions, minimum inhibitory concentration and chromium uptake ability of Staphylococcus aureus strain K1 was determined by spectrophotometer. Antibiotic sensitivity pattern was also determined by disc diffusion method. Furthermore, chromium uptake ability was confirmed by Fourier transform infrared spectroscopy (FTIR) and scanning electron microscope equipped with Oxford Energy Dipersive X-ray (EDX) micro analysis system. Results: The results presented that optimum temperature was 35ᵒC, pH was 8.0 and salt concentration was 0.5% for growth of Staphylococcus aureus K1. The maximum uptake ability of chromium by bacteria was 20mM than other heavy metal ions. The antibiotic sensitivity pattern revealed that Staphylococcus aureus was vancomycin and methicillin sensitive. Non hemolytic activity on blood agar and negative coagulase reaction showed that it was non-pathogenic. Furthermore, the growth of bacteria decreases in the presence of chromium and maximum chromium uptake by bacteria observed at optimum growth conditions. Fourier transform infrared spectroscopy (FTIR), scanning electron microscope (SEM) and Energy dispersive X-ray (EDX) analysis confirmed the presence of chromium uptake by Staphylococcus aureus K1. Conclusion: The study revealed that Staphylococcus aureus K1 have the potential to bio-remediate chromium toxicity from wastewater. Gradually, this biological treatment becomes more important due to its advantage over physical and chemical methods to protect environment and human health.

Keywords: wastewater, staphylococcus, chromium, bioremediation

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14669 Mathematical Modeling of the Fouling Phenomenon in Ultrafiltration of Latex Effluent

Authors: Amira Abdelrasoul, Huu Doan, Ali Lohi

Abstract:

An efficient and well-planned ultrafiltration process is becoming a necessity for monetary returns in the industrial settings. The aim of the present study was to develop a mathematical model for an accurate prediction of ultrafiltration membrane fouling of latex effluent applied to homogeneous and heterogeneous membranes with uniform and non-uniform pore sizes, respectively. The models were also developed for an accurate prediction of power consumption that can handle the large-scale purposes. The model incorporated the fouling attachments as well as chemical and physical factors in membrane fouling for accurate prediction and scale-up application. Both Polycarbonate and Polysulfone flat membranes, with pore sizes of 0.05 µm and a molecular weight cut-off of 60,000, respectively, were used under a constant feed flow rate and a cross-flow mode in ultrafiltration of the simulated paint effluent. Furthermore, hydrophilic ultrafilic and hydrophobic PVDF membranes with MWCO of 100,000 were used to test the reliability of the models. Monodisperse particles of 50 nm and 100 nm in diameter, and a latex effluent with a wide range of particle size distributions were utilized to validate the models. The aggregation and the sphericity of the particles indicated a significant effect on membrane fouling.

Keywords: membrane fouling, mathematical modeling, power consumption, attachments, ultrafiltration

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14668 Phytochemical Screening, Antioxidant and Hepatoprotection Assessment of Extracts of Coriandrum sativm L. on Wistar Rats

Authors: Hiba T. Allah ALtieb Gusm ALsied, Amna Beshir Medani Ahmed, Ikram Mohamed ELtayeb, Saad Mohamed Hussein Ayoub

Abstract:

This study was carried out to determine the hepatoactivity and the antioxidant activity of Coiradrum sativum L. aerial part and fruit extracts against CCL4 induced acute liver damages in Wistar rats. The aerial parts and fruits part of the plant were extracted 96% ethanol with soxhlet apparatus. Hepatic injury was achieved by subcutaneous injection of 3 ml/kg of CCL4 diluted with olive oil with ratio 1:1. The extracts were mixed together 1:1 ratio and given in different doses 100,200,400 mg/kg/day for 5 days under CCL4 induction at 3rd day. The significance of differences between means by using T-test was compared among the groups. The mixture of the two extracts didn’t show any significant result in protecting liver injury (antagonistic effects), it shows high level of liver enzyme like alkaline phosphatase (ALP), glutamate oxaloacetate transaminase (SGOT) and glutamate pyruvate transaminase (SGPT). Serological studies further confirmed the results. The results obtained were compared with silymarin (70 mg/kg/day) orally, the standard drug for hepatoprotection which show recovery close to normalization almost like that of silymarin; therefore, further studies on this plant with different ratios especially in isolated tissue to spot more light on antagonistic effects of the two extracts. Antioxidant activity of the extracts was determined by the DPPH method. The results obtained show high anti-oxidant activity for fruits extract while slight or moderate antioxidant activity to aerial extracts.

Keywords: antioxidant, aerial part, Coriadrum sativum L., fruity, hepatoprotection, Silymarin, phytochemical screening

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14667 Formation of the Water Assisted Supramolecular Assembly in the Transition Structure of Organocatalytic Asymmetric Aldol Reaction: A DFT Study

Authors: Kuheli Chakrabarty, Animesh Ghosh, Atanu Roy, Gourab Kanti Das

Abstract:

Aldol reaction is an important class of carbon-carbon bond forming reactions. One of the popular ways to impose asymmetry in aldol reaction is the introduction of chiral auxiliary that binds the approaching reactants and create dissymmetry in the reaction environment, which finally evolves to enantiomeric excess in the aldol products. The last decade witnesses the usage of natural amino acids as chiral auxiliary to control the stereoselectivity in various carbon-carbon bond forming processes. In this context, L-proline was found to be an effective organocatalyst in asymmetric aldol additions. In last few decades the use of water as solvent or co-solvent in asymmetric organocatalytic reaction is increased sharply. Simple amino acids like L-proline does not catalyze asymmetric aldol reaction in aqueous medium not only that, In organic solvent medium high catalytic loading (~30 mol%) is required to achieve moderate to high asymmetric induction. In this context, huge efforts have been made to modify L-proline and 4-hydroxy-L-proline to prepare organocatalyst for aqueous medium asymmetric aldol reaction. Here, we report the result of our DFT calculations on asymmetric aldol reaction of benzaldehyde, p-NO2 benzaldehyde and t-butyraldehyde with a number of ketones using L-proline hydrazide as organocatalyst in wet solvent free condition. Gaussian 09 program package and Gauss View program were used for the present work. Geometry optimizations were performed using B3LYP hybrid functional and 6-31G(d,p) basis set. Transition structures were confirmed by hessian calculation and IRC calculation. As the reactions were carried out in solvent free condition, No solvent effect were studied theoretically. Present study has revealed for the first time, the direct involvement of two water molecules in the aldol transition structures. In the TS, the enamine and the aldehyde is connected through hydrogen bonding by the assistance of two intervening water molecules forming a supramolecular network. Formation of this type of supramolecular assembly is possible due to the presence of protonated -NH2 group in the L-proline hydrazide moiety, which is responsible for the favorable entropy contribution to the aldol reaction. It is also revealed from the present study that, water assisted TS is energetically more favorable than the TS without involving any water molecule. It can be concluded from this study that, insertion of polar group capable of hydrogen bond formation in the L-proline skeleton can lead to a favorable aldol reaction with significantly high enantiomeric excess in wet solvent free condition by reducing the activation barrier of this reaction.

Keywords: aldol reaction, DFT, organocatalysis, transition structure

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