Search results for: water based paints
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 33590

Search results for: water based paints

30530 The Temperature Degradation Process of Siloxane Polymeric Coatings

Authors: Andrzej Szewczak

Abstract:

Study of the effect of high temperatures on polymer coatings represents an important field of research of their properties. Polymers, as materials with numerous features (chemical resistance, ease of processing and recycling, corrosion resistance, low density and weight) are currently the most widely used modern building materials, among others in the resin concrete, plastic parts, and hydrophobic coatings. Unfortunately, the polymers have also disadvantages, one of which decides about their usage - low resistance to high temperatures and brittleness. This applies in particular thin and flexible polymeric coatings applied to other materials, such a steel and concrete, which degrade under varying thermal conditions. Research about improvement of this state includes methods of modification of the polymer composition, structure, conditioning conditions, and the polymerization reaction. At present, ways are sought to reflect the actual environmental conditions, in which the coating will be operating after it has been applied to other material. These studies are difficult because of the need for adopting a proper model of the polymer operation and the determination of phenomena occurring at the time of temperature fluctuations. For this reason, alternative methods are being developed, taking into account the rapid modeling and the simulation of the actual operating conditions of polymeric coating’s materials in real conditions. The nature of a duration is typical for the temperature influence in the environment. Studies typically involve the measurement of variation one or more physical and mechanical properties of such coating in time. Based on these results it is possible to determine the effects of temperature loading and develop methods affecting in the improvement of coatings’ properties. This paper contains a description of the stability studies of silicone coatings deposited on the surface of a ceramic brick. The brick’s surface was hydrophobized by two types of inorganic polymers: nano-polymer preparation based on dialkyl siloxanes (Series 1 - 5) and an aqueous solution of the silicon (series 6 - 10). In order to enhance the stability of the film formed on the brick’s surface and immunize it to variable temperature and humidity loading, the nano silica was added to the polymer. The right combination of the polymer liquid phase and the solid phase of nano silica was obtained by disintegration of the mixture by the sonification. The changes of viscosity and surface tension of polymers were defined, which are the basic rheological parameters affecting the state and the durability of the polymer coating. The coatings created on the brick’s surfaces were then subjected to a temperature loading of 100° C and moisture by total immersion in water, in order to determine any water absorption changes caused by damages and the degradation of the polymer film. The effect of moisture and temperature was determined by measurement (at specified number of cycles) of changes in the surface hardness (using a Vickers’ method) and the absorption of individual samples. As a result, on the basis of the obtained results, the degradation process of polymer coatings related to their durability changes in time was determined.

Keywords: silicones, siloxanes, surface hardness, temperature, water absorption

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30529 Smart Irrigation System for Applied Irrigation Management in Tomato Seedling Production

Authors: Catariny C. Aleman, Flavio B. Campos, Matheus A. Caliman, Everardo C. Mantovani

Abstract:

The seedling production stage is a critical point in the vegetable production system. Obtaining high-quality seedlings is a prerequisite for subsequent cropping to occur well and productivity optimization is required. The water management is an important step in agriculture production. The adequate water requirement in horticulture seedlings can provide higher quality and increase field production. The practice of irrigation is indispensable and requires a duly adjusted quality irrigation system, together with a specific water management plan to meet the water demand of the crop. Irrigation management in seedling management requires a great deal of specific information, especially when it involves the use of inputs such as hydrorentering polymers and automation technologies of the data acquisition and irrigation system. The experiment was conducted in a greenhouse at the Federal University of Viçosa, Viçosa - MG. Tomato seedlings (Lycopersicon esculentum Mill) were produced in plastic trays of 128 cells, suspended at 1.25 m from the ground. The seedlings were irrigated by 4 micro sprinklers of fixed jet 360º per tray, duly isolated by sideboards, following the methodology developed for this work. During Phase 1, in January / February 2017 (duration of 24 days), the cultivation coefficient (Kc) of seedlings cultured in the presence and absence of hydrogel was evaluated by weighing lysimeter. In Phase 2, September 2017 (duration of 25 days), the seedlings were submitted to 4 irrigation managements (Kc, timer, 0.50 ETo, and 1.00 ETo), in the presence and absence of hydrogel and then evaluated in relation to quality parameters. The microclimate inside the greenhouse was monitored with the use of air temperature, relative humidity and global radiation sensors connected to a microcontroller that performed hourly calculations of reference evapotranspiration by Penman-Monteith standard method FAO56 modified for the balance of long waves according to Walker, Aldrich, Short (1983), and conducted water balance and irrigation decision making for each experimental treatment. Kc of seedlings cultured on a substrate with hydrogel (1.55) was higher than Kc on a pure substrate (1.39). The use of the hydrogel was a differential for the production of earlier tomato seedlings, with higher final height, the larger diameter of the colon, greater accumulation of a dry mass of shoot, a larger area of crown projection and greater the rate of relative growth. The handling 1.00 ETo promoted higher relative growth rate.

Keywords: automatic system; efficiency of water use; precision irrigation, micro sprinkler.

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30528 Failure Analysis of Pipe System at a Hydroelectric Power Plant

Authors: Ali Göksenli, Barlas Eryürek

Abstract:

In this study, failure analysis of pipe system at a micro hydroelectric power plant is investigated. Failure occurred at the pipe system in the powerhouse during shut down operation of the water flow by a valve. This locking had caused a sudden shock wave, also called “Water-hammer effect”, resulting in noise and inside pressure increase. After visual investigation of the effect of the shock wave on the system, a circumference crack was observed at the pipe flange weld region. To establish the reason for crack formation, calculations of pressure and stress values at pipe, flange and welding seams were carried out and concluded that safety factor was high (2.2), indicating that no faulty design existed. By further analysis, pipe system and hydroelectric power plant was examined. After observations it is determined that the plant did not include a ventilation nozzle (air trap), that prevents the system of sudden pressure increase inside the pipes which is caused by water-hammer effect. Analyses were carried out to identify the influence of water-hammer effect on inside pressure increase and it was concluded that, according Jowkowsky’s equation, shut down time is effective on inside pressure increase. The valve closing time was uncertain but by a shut down time of even one minute, inside pressure would increase by 7.6 bar (working pressure was 34.6 bar). Detailed investigations were also carried out on the assembly of the pipe-flange system by considering technical drawings. It was concluded that the pipe-flange system was not installed according to the instructions. Two of five weld seams were not applied and one weld was carried out faulty. This incorrect and inadequate weld seams resulted in; insufficient connection of the pipe to the flange constituting a strong notch effect at weld seam regions, increase in stress values and the decrease of strength and safety factor

Keywords: failure analysis, hydroelectric plant, crack, shock wave, welding seam

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30527 Performance Evaluation of Hemispherical Basin Type Solar Still

Authors: Husham Mahmood Ahmed

Abstract:

For so many reasons, fresh water scarcity is one of major problems facing the world and in particularly in the third world in the Northern Africa, the Middle East, the Southwest of Asia, and many other desert areas. Solar distillation offers one of the most promising solutions of renewable energy to this aggravated situation. The main obstacle hindering the spread of the use of solar technology for fresh water production is its low efficiency. Therefore, enhancing the solar stills performances by studying the parameters affecting their productivity and implementing new ideas and a different design are the main goals of the investigators in recent years. The present research is experimental work that tests a new design of solar still with a hemispherical top cover for water desalination with and without external reflectors under the climate of the Kingdom of Bahrain during the autumn season. The hemispherical cover has a base diameter of 1m and a depth of 0.4m, die cast from a 6 mm thick Lexan plastic sheet. The net effective area was 0.785 m2. It has been found that the average daily production rate obtained from the hemispherical top cover solar still is 3.610 liter/day. This yield is 11.1% higher than the yield of a conventional simple type single slope solar still having 20ᴼ slope glass cover and a larger effective area of 1 m2 obtained in previous research under similar climatic conditions. It has also been found that adding 1.2m long by 0.15 curved reflectors increased the yield of the hemispherical solar still by 5.5 %, while the 1.2 long by 0.3m curved reflector increased the yield by about 8%.

Keywords: hemispherical solar still, solar desalination, solar energy, the Northern Africa

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30526 The Effect of Multiple Environmental Conditions on Acacia senegal Seedling’s Carbon, Nitrogen, and Hydrogen Contents: An Experimental Investigation

Authors: Abdelmoniem A. Attaelmanan, Ahmed A. H. Siddig

Abstract:

This study was conducted in light of continual global climate changes that projected increasing aridity, changes in soil fertility, and pollution. Plant growth and development largely depend on the combination of availing water and nutrients in the soil. Changes in the climate and atmospheric chemistry can cause serious effects on these growth factors. Plant carbon (C), nitrogen (N), and hydrogen (H) play a fundamental role in the maintenance of ecosystem structure and function. Hashab (Acacia senegal), which produces gum Arabic, supports dryland ecosystems in tropical zones by its potentiality to restore degraded soils; hence it is ecologically and economically important for the dry areas of sub-Saharan Africa. The study aims at investigating the effects of water stress (simulated drought) and poor soil type on Acacia senegal C, N, and H contents. Seven days old seedlings were assigned to the treatments in Split- plot design for four weeks. The main plot is irrigation interval (well-watered and water-stressed), and the subplot is soil types (silt and sand soils). Seedling's C%, N%, and H% were measured using CHNS-O Analyzer and applying Standard Test Method. Irrigation intervals and soil types had no effects on seedlings and leaves C%, N%, and H%, irrigation interval had affected stem C and H%, both irrigation intervals and soil types had affected root N% and interaction effect of water and soil was found on leaves and root's N%. Synthesis application of well-watered irrigation with soil that is rich in N and other nutrients would result in the greatest seedling C, N, and H content which will enhance growth and biomass accumulation and can play a crucial role in ecosystem productivity and services in the dryland regions.

Keywords: Acacia senegal, Africa, climate change, drylands, nutrients biomass, Sub-Saharan, Sudan

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30525 Effect of Bentonite on the Rheological Behavior of Cement Grout in Presence of Superplasticizer

Authors: K. Benyounes, A. Benmounah

Abstract:

Cement-based grouts has been used successfully to repair cracks in many concrete structures such as bridges, tunnels, buildings and to consolidate soils or rock foundations. In the present study, the rheological characterization of cement grout with water/binder ratio (W/B) is fixed at 0.5. The effect of the replacement of cement by bentonite (2 to 10 % wt) in presence of superplasticizer (0.5 % wt) was investigated. Several rheological tests were carried out by using controlled-stress rheometer equipped with vane geometry in temperature of 20°C. To highlight the influence of bentonite and superplasticizer on the rheological behavior of grout cement, various flow tests in a range of shear rate from 0 to 200 s-1 were observed. Cement grout showed a non-Newtonian viscosity behavior at all concentrations of bentonite. Three parameter model Herschel-Bulkley was chosen for fitting of experimental data. Based on the values of correlation coefficients of the estimated parameters, The Herschel-Bulkley law model well described the rheological behavior of the grouts. Test results showed that the dosage of bentonite increases the viscosity and yield stress of the system and introduces more thixotropy. While the addition of both bentonite and superplasticizer with cement grout improve significantly the fluidity and reduced the yield stress due to the action of dispersion of SP.

Keywords: rheology, cement grout, bentonite, superplasticizer, viscosity, yield stress

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30524 Knowledge, Attitude and Practice on Swimming Pool Hygiene and Assessment of Microbial Contamination in Educational Institution in Selangor

Authors: Zarini Ismail, Mas Ayu Arina Mohd Anuwar, Ling Chai Ying, Tengku Zetty Maztura Tengku Jamaluddin, Nurul Azmawati Mohamed, Nadeeya Ayn Umaisara Mohamad Nor

Abstract:

The transmission of infectious diseases can occur anywhere, including in the swimming pools. A large number of swimmers turnover and poor hygienic behaviours will increase the occurrence of direct and indirect water contamination. A wide variety of infections such as the gastrointestinal illnesses, skin rash, eye infections, ear infections and respiratory illnesses had been reported following the exposure to the contaminated water. Understanding the importance of pool hygiene with a healthy practice will reduce the risk of infection. The aims of the study are to investigate the knowledge, attitude and practices on pool hygiene among swimming pool users and to determine the microbial contaminants in swimming pools. A cross-sectional study was conducted using self-administered questionnaires to 600 swimming pool users from four swimming pools belong to the three educational institutions in Selangor. Data was analyzed using SPSS Statistics version 22.0 for Windows. The knowledge, attitude and practice of the study participants were analyzed using the sum score based on Bloom’s cut-off point (80%). Having a score above the cut-off point was classified as having high levels of knowledge, positive attitude and good practice. The association between socio-demographic characteristics, knowledge and attitude with practice on pool hygiene was determined by Chi-Square test. The physicochemical parameters and the microbial contamination were determined using a standard method for examination of waste and wastewater. Of the 600 respondents, 465 (77.5%) were females with the mean age of 21 years old. Most of the respondents are the students (98.8%) which belong to the three educational institutions in Selangor. Overall, the majority of the respondents (89.2%) had low knowledge on pool hygiene, but had positive attitudes (91.3%). Whereas only half of the respondents (50%) practice good hygiene while using the swimming pools. There was a significant association between practice level on pool hygiene with knowledge (p < 0.001) and also the attitude (p < 0.001). The measurements of the physicochemical parameters showed that all 4 swimming pools had low levels of pH and two had low levels of free chlorine. However, all the water samples tested were negative for Escherichia coli. The findings of this study suggested that high knowledge and positive attitude towards pool hygiene ensure a good practice among swimming pool users. Thus, it is recommended that educational interventions should be given to the swimming pool users to increase their knowledge regarding the pool hygiene and this will prevent the unnecessary outbreak of infectious diseases related to swimming pool.

Keywords: attitude, knowledge, pool hygiene, practice

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30523 Synthesis and Characterization of Mass Catalysts Based on Cobalt and Molybdenum

Authors: Nassira Ouslimani

Abstract:

The electronic structure of transition metals gives them many catalytic possibilities in many types of reactions, particularly cobalt and molybdenum. It is in this context that this study is part of the synthesis and characterization of mass catalysts based on cobalt and molybdenum Co1₋xMoO4 (X=0 and X=0.5 and X=1). The two catalysts were prepared by Co-precipitation using ammonia as a precipitating agent and one by precipitation. The samples obtained were analyzed by numerous physic-chemical analysis techniques: ATG-ATD-DSC, DRX-HT, SEM-EDX, and the elemental composition of the catalysts was verified by SAA as well as the FTIR. The ATG-DSC shows a mass loss for all the catalysts of approximately 8%, corresponding to the loss of water and the decomposition of nitrates. The DRX-HT analysis allows the detection of the two CoMoO4 phases with diffraction peaks which increase with the increase in temperature. The results of the FTIR analysis made it possible to highlight the vibration modes of the bonds of the structure of the prepared catalysts. The SEM images of the solids show very different textures with almost homogeneous surfaces with a more regular particle size distribution and a more defined grain shape. The EDX analysis showed the presence of the elements Co, Mo, and O in proportions very close to the nominal proportions. Finally, the actual composition, evaluated by SAA, is close to the theoretical composition fixed during the preparation. This testifies to the good conditions for the preparation of the catalysts by the co-precipitation method.

Keywords: catalytic, molybdenum, coprecipitation, cobalt, ammonia

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30522 Characterization of Bio-Inspired Thermoelastoplastic Composites Filled with Modified Cellulose Fibers

Authors: S. Cichosz, A. Masek

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A new cellulose hybrid modification approach, which is undoubtedly a scientific novelty, is introduced. The study reports the properties of cellulose (Arbocel UFC100 – Ultra Fine Cellulose) and characterizes cellulose filled polymer composites based on an ethylene-norbornene copolymer (TOPAS Elastomer E-140). Moreover, the approach of physicochemical two-stage cellulose treatment is introduced: solvent exchange (to ethanol or hexane) and further chemical modification with maleic anhydride (MA). Furthermore, the impact of the drying process on cellulose properties was investigated. Suitable measurements were carried out to characterize cellulose fibers: spectroscopic investigation (Fourier Transform Infrared Spektrofotometer-FTIR, Near InfraRed spectroscopy-NIR), thermal analysis (Differential scanning calorimetry, Thermal gravimetric analysis ) and Karl Fischer titration. It should be emphasized that for all UFC100 treatments carried out, a decrease in moisture content was evidenced. FT-IR reveals a drop in absorption band intensity at 3334 cm-1, the peak is associated with both –OH moieties and water. Similar results were obtained with Karl Fischer titration. Based on the results obtained, it may be claimed that the employment of ethanol contributes greatly to the lowering of cellulose water absorption ability (decrease of moisture content to approximately 1.65%). Additionally, regarding polymer composite properties, crucial data has been obtained from the mechanical and thermal analysis. The highest material performance was noted in the case of the composite sample that contained cellulose modified with MA after a solvent exchange with ethanol. This specimen exhibited sufficient tensile strength, which is almost the same as that of the neat polymer matrix – in the region of 40 MPa. Moreover, both the Payne effect and filler efficiency factor, calculated based on dynamic mechanical analysis (DMA), reveal the possibility of the filler having a reinforcing nature. What is also interesting is that, according to the Payne effect results, fibers dried before the further chemical modification are assumed to allow more regular filler structure development in the polymer matrix (Payne effect maximum at 1.60 MPa), compared with those not dried (Payne effect in the range 0.84-1.26 MPa). Furthermore, taking into consideration the data gathered from DSC and TGA, higher thermal stability is obtained in case of the materials filled with fibers that were dried before the carried out treatments (degradation activation energy in the region of 195 kJ/mol) in comparison with the polymer composite samples filled with unmodified cellulose (degradation activation energy of approximately 180 kJ/mol). To author’s best knowledge this work results in the introduction of a novel, new filler hybrid treatment approach. Moreover, valuable data regarding the properties of composites filled with cellulose fibers of various moisture contents have been provided. It should be emphasized that plant fiber-based polymer bio-materials described in this research might contribute significantly to polymer waste minimization because they are more readily degraded.

Keywords: cellulose fibers, solvent exchange, moisture content, ethylene-norbornene copolymer

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30521 Characteristics of Elastic Tracked-Crawler Based on Worm-Rack Mechanism

Authors: Jun-ya Nagase

Abstract:

There are many pipes such as a water pipe and a gas pipe in a chemical plant and house. It is possible to prevent accidents by these inspections. However, many pipes are very narrow and it is difficult for people to inspect directly. Therefore, development of a robot that can move in narrow pipe is necessary. A wheel movement type robot, a snake-like robot and a multi-leg robot are all described in the relevant literature as pipe inspection robots that are currently studied. Among them, the tracked crawler robot can travel by traversing uneven ground flexibly with a crawler belt attached firmly to the ground surface. Although conventional crawler robots have high efficiency and/or high ground-covering ability, they require a comparatively large space to move. In this study, a cylindrical crawler robot based on worm-rack mechanism, which does not need large space to move and which has high ground-covering ability, is proposed. Experiments have demonstrated smooth operation and a forward movement of the robot by application of voltage to the motor. In addition, performance tests show that it can propel itself in confined spaces. This paper reports the structure, drive mechanism, prototype, and experimental evaluation.

Keywords: tracked-crawler, pipe inspection robot, worm-rack mechanism, amoeba locomotion

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30520 The Effect of Pozzolan Addition on the Physico-Chemical and Mechanical Properties of Mortars Based on Cement Resistant to Sulfate (CRS)

Authors: L. Belagraa, A. Belguendouz, Y. Rouabah, A. Bouzid, A. Noui, O. Kessal

Abstract:

The use of cements CRS in aggressive environments showed a lot of benefits as like good mechanical responses and therefore better durability, however, their manufacturing consume a lot of clinker, which leads to the random hazardous deposits, the shortage of natural resources and the gas and the dust emissions mainly; (CO2) with its ecological negative impact on the environment. Technical, economic and environmental benefits by the use of blended cements have been reported and being considered as a research area of great interest. The purpose of this study is to evaluate the influence of the substitution of natural pozzolan on the physico-chemical properties of the new formulated binder and the mechanical behavior of mortar containing this binary cement. Hence, the pozzolan replacement is composed with different proportions (0%, 2.5%, 5%, 7.5% and 10%). The physico-chemical properties of cement resistant to sulfate (CRS) alternative composition were investigated. Further, the behavior of the mortars based on this binder is studied. These characteristics includes chemical composition, density and fineness, consistency, setting time, shrinkage, absorption and the mechanical response. The results obtained showed that the substitution of pozzolan at the optimal ratio of 5% has a positive effect on the resulting cement, greater specific surface area, reduced water demand, accelerating the process of hydration, a better mechanical responses and decreased absorption. Therefore, economic and ecological cement based on mineral addition like pozzolan could be possible as well as advantageous to the formulation of environmental mortars.

Keywords: Cement Resistant to Sulfate (CRS), environmental mortars mechanical response, physico-chemical properties, pozzolan

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30519 The Impact of Alkaline Water Supplemented with Sodium Ascorbate on Glucose and Cortisol Levels in the Blood Serum During Acute Hyperthermic Exposure of White Laboratory Rats

Authors: Valdrina Ajeti, Icko Gjorgoski

Abstract:

Stress can be a reason for some physiological and biological disorders in the body. The antioxidative defense system is necessary for the maintenance of redox homeostasis in organisms. Because of its antioxidant effect, alkaline water (AW) is the focus of scientific interest. Adding AW and co-treatment with sodium ascorbate (SA) is expected for the organism to act preventively to hyperthermic stress. To investigate the effect of AW and SA on glucose and cortisol levels during acute hyperthermic stress, white female Wistar laboratory rats, divided into three groups of 10 individuals, were exposed to heat for 80 min, for 21 days. Acute hyperthermic exposure at 41˚C was a cause for oxidative stress. The first group is the control group, the second group is treated with AW, and the third group with AW and SA. Plasma glucose levels were determined by colorimetric method and cortisol was measured using the enzyme-linked immunosorbent assay method. The comparison of the means was made using the Tukey test. Differences were considered significant at a level of p < 0.05. Our results show that levels of glucose and cortisol have been increased in the group treated with AW on the 21st day after treatment (p < 0.0001), but not on the 7th and 14th day as compared to the control group. Also, co-treatment of animals with AW and SA significantly increased the levels of glucose and cortisol on the 21st day after treatment showing a synergistic effect. The individual action of AW, as well as synergism with SA, caused a high protective effect on oxidative damage.

Keywords: alkaline water, sodium ascorbate, hyperthermic stress, glucose, cortisol

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30518 Application of Hydrological Engineering Centre – River Analysis System (HEC-RAS) to Estuarine Hydraulics

Authors: Julia Zimmerman, Gaurav Savant

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This study aims to evaluate the efficacy of the U.S. Army Corp of Engineers’ River Analysis System (HEC-RAS) application to modeling the hydraulics of estuaries. HEC-RAS has been broadly used for a variety of riverine applications. However, it has not been widely applied to the study of circulation in estuaries. This report details the model development and validation of a combined 1D/2D unsteady flow hydraulic model using HEC-RAS for estuaries and they are associated with tidally influenced rivers. Two estuaries, Galveston Bay and Delaware Bay, were used as case studies. Galveston Bay, a bar-built, vertically mixed estuary, was modeled for the 2005 calendar year. Delaware Bay, a drowned river valley estuary, was modeled from October 22, 2019, to November 5, 2019. Water surface elevation was used to validate both models by comparing simulation results to NOAA’s Center for Operational Oceanographic Products and Services (CO-OPS) gauge data. Simulations were run using the Diffusion Wave Equations (DW), the Shallow Water Equations, Eulerian-Lagrangian Method (SWE-ELM), and the Shallow Water Equations Eulerian Method (SWE-EM) and compared for both accuracy and computational resources required. In general, the Diffusion Wave Equations results were found to be comparable to the two Shallow Water equations sets while requiring less computational power. The 1D/2D combined approach was valid for study areas within the 2D flow area, with the 1D flow serving mainly as an inflow boundary condition. Within the Delaware Bay estuary, the HEC-RAS DW model ran in 22 minutes and had an average R² value of 0.94 within the 2-D mesh. The Galveston Bay HEC-RAS DW ran in 6 hours and 47 minutes and had an average R² value of 0.83 within the 2-D mesh. The longer run time and lower R² for Galveston Bay can be attributed to the increased length of the time frame modeled and the greater complexity of the estuarine system. The models did not accurately capture tidal effects within the 1D flow area.

Keywords: Delaware bay, estuarine hydraulics, Galveston bay, HEC-RAS, one-dimensional modeling, two-dimensional modeling

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30517 Great Food, No Atmosphere: A Review of Performance Nutrition for Application to Extravehicular Activities in Spaceflight

Authors: Lauren E. Church

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Background: Extravehicular activities (EVAs) are a critical aspect of missions aboard the International Space Station (ISS). It has long been noted that the spaceflight environment and the physical demands of EVA cause physiological and metabolic changes in humans; this review aims to combine these findings with nutritional studies in analogues of the spaceflight and EVA environments to make nutritional recommendations for astronauts scheduled for and immediately returning from EVAs. Results: Energy demands increase during orbital spaceflight and see further increases during EVA. Another critical element of EVA nutrition is adequate hydration. Orbital EVA appears to provide adequate hydration under current protocol, but during lunar surface EVA (LEVA) and in a 10km lunar walk-back test astronauts have stated that up to 20% more water was needed. Previous attempts for in-suit edible sustenance have not been adequately taken up by astronauts to be economically viable. In elite endurance athletes, a mixture of glucose and fructose is used in gels, improving performance. Discussion: A combination of non-caffeinated energy drink and simple water should be available for astronauts during EVA, allowing more autonomy. There should also be provision of gels or a similar product containing appropriate sodium levels to maintain hydration, but not so much as to hyperhydrate through renal water reabsorption. It is also suggested that short breaks be built into the schedule of EVAs for these gels to be consumed, as it is speculated that reason for low uptake of in-suit sustenance is the lack of time available in which to consume it.

Keywords: astronaut, nutrition, space, sport

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30516 Evaluation of Microbial Accumulation of Household Wastewater Purified by Advanced Oxidation Process

Authors: Nazlı Çetindağ, Pelin Yılmaz Çetiner, Metin Mert İlgün, Emine Birci, Gizemnur Yıldız Uysal, Özcan Hatipoğlu, Ehsan Tuzcuoğlu, Gökhan Sır

Abstract:

Water scarcity is an unavoidable issue impacting an increasing number of individuals daily, representing a global crisis stemming from swift population growth, urbanization, and excessive resource exploitation. Consequently, solutions that involve the reclamation of wastewater are considered essential. In this context, household wastewater, categorized as greywater, plays a significant role in freshwater used for residential purposes and is attributed to washing. This type of wastewater comprises diverse elements, including organic substances, soaps, detergents, solvents, biological components, and inorganic elements such as certain metal ions and particles. The physical characteristics of wastewater vary depending on its source, whether commercial, domestic, or from a hospital setting. Consequently, the treatment strategy for this wastewater type necessitates comprehensive investigation and appropriate handling. The advanced oxidation process (AOP) emerges as a promising technique associated with the generation of reactive hydroxyl radicals highly effective in oxidizing organic pollutants. This method takes precedence over others like coagulation, flocculation, sedimentation, and filtration due to its avoidance of undesirable by-products. In the current study, the focus was on exploring the feasibility of the AOP for treating actual household wastewater. To achieve this, a laboratory-scale device was designed to effectively target the formed radicals toward organic pollutants, resulting in lower organic compounds in wastewater. Then, the number of microorganisms present in treated wastewater, in addition to the chemical content of the water, was analyzed to determine whether the lab-scale device eliminates microbial accumulation with AOP. This was also an important parameter since microbes can indirectly affect human health and machine hygiene. To do this, water samples were taken from treated and untreated conditions and then inoculated on general purpose agar to track down the total plate count. Analysis showed that AOP might be an option to treat household wastewater and lower microorganism growth.

Keywords: usage of household water, advanced oxidation process, water reuse, modelling

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30515 The Sub-Optimality of the Electricity Subsidy on Tube Wells in Balochistan (Pakistan): An Analysis Based on Socio-Cultural and Policy Distortions

Authors: Rameesha Javaid

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Agriculture is the backbone of the economy of the province of Balochistan which is known as the ‘fruit basket’ of Pakistan. Its climate zones comprising highlands and plateaus, dependent on rain water, are more suited for the production of deciduous fruit. The vagaries of weather and more so the persistent droughts prompted the government to announce flat rates of electricity bills per month irrespective of the size of the farm, quantum or water used and the category of crop group. That has, no doubt, resulted in increased cropping intensity, more production and employment but has enormously burdened the official exchequer which picks up the residual bills in certain percentages amongst the federal and provincial governments and the local electricity company. This study tests the desirability of continuing the subsidy in the present mode. Optimization of social welfare of farmers has been the focus of the study with emphasis on the contribution of positive externalities and distortions caused in terms of negative externalities. By using the optimization technique with due allowance for distortions, it has been established that the subsidy calls for limiting policy distortions as they cause sub-optimal utilization of the tube well subsidy and improved policy programming. The sensitivity analysis with changed rankings of contributing variables towards social welfare does not significantly change the result. Therefore it leads to the net findings and policy recommendations of significantly reducing the subsidy size, correcting and curtailing policy distortions and targeting the subsidy grant more towards small farmers to generate more welfare by saving a sizeable amount from the subsidy for investment in the wellbeing of the farmers in rural Balochistan.

Keywords: distortion, policy distortion, socio-cultural distortion, social welfare, subsidy

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30514 Optimizing Nitrogen Fertilizer Application in Rice Cultivation: A Decision Model for Top and Ear Dressing Dosages

Authors: Ya-Li Tsai

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Nitrogen is a vital element crucial for crop growth, significantly influencing crop yield. In rice cultivation, farmers often apply substantial nitrogen fertilizer to maximize yields. However, excessive nitrogen application increases the risk of lodging and pest infestation, leading to yield losses. Additionally, conventional flooded irrigation methods consume significant water resources, necessitating precise agricultural and intelligent water management systems. In this study, it leveraged physiological data and field images captured by unmanned aerial vehicles, considering fertilizer treatment and irrigation as key factors. Statistical models incorporating rice physiological data, yield, and vegetation indices from image data were developed. Missing physiological data were addressed using multiple imputation and regression methods, and regression models were established using principal component analysis and stepwise regression. Target nitrogen accumulation at key growth stages was identified to optimize fertilizer application, with the difference between actual and target nitrogen accumulation guiding recommendations for ear dressing dosage. Field experiments conducted in 2022 validated the recommended ear dressing dosage, demonstrating no significant difference in final yield compared to traditional fertilizer levels under alternate wetting and drying irrigation. These findings highlight the efficacy of applying recommended dosages based on fertilizer decision models, offering the potential for reduced fertilizer use while maintaining yield in rice cultivation.

Keywords: intelligent fertilizer management, nitrogen top and ear dressing fertilizer, rice, yield optimization

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30513 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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30512 Prediction of Saturated Hydraulic Conductivity Dynamics in an Iowan Agriculture Watershed

Authors: Mohamed Elhakeem, A. N. Thanos Papanicolaou, Christopher Wilson, Yi-Jia Chang

Abstract:

In this study, a physically-based, modelling framework was developed to predict saturated hydraulic conductivity (KSAT) dynamics in the Clear Creek Watershed (CCW), Iowa. The modelling framework integrated selected pedotransfer functions and watershed models with geospatial tools. A number of pedotransfer functions and agricultural watershed models were examined to select the appropriate models that represent the study site conditions. Models selection was based on statistical measures of the models’ errors compared to the KSAT field measurements conducted in the CCW under different soil, climate and land use conditions. The study has shown that the predictions of the combined pedotransfer function of Rosetta and the Water Erosion Prediction Project (WEPP) provided the best agreement to the measured KSAT values in the CCW compared to the other tested models. Therefore, Rosetta and WEPP were integrated with the Geographic Information System (GIS) tools for visualization of the data in forms of geospatial maps and prediction of KSAT variability in CCW due to the seasonal changes in climate and land use activities.

Keywords: saturated hydraulic conductivity, pedotransfer functions, watershed models, geospatial tools

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30511 Reuse of Refractory Brick Wastes (RBW) as a Supplementary Cementitious Materials in a High Performance Fiber-Reinforced Concrete

Authors: B. Safi, B. Amrane, M. Saidi

Abstract:

The main purpose of this study is to evaluate the reuse of refractory brick wastes (RBW) as a supplementary cementitious materials (by a total replacement of silica fume) to produce a high performance fiber-reinforced concrete (HPFRC). This work presents an experimental study on the formulation and physico-mechanical characterization of ultra high performance fiber reinforced concretes based on three types of refractory brick wastes. These have been retrieved from the manufacturing unit of float glass MFG (Mediterranean Float Glass) after their use in the oven basin (ie d. they are considered waste unit). Three compositions of concrete (HPFRC) were established based on three types of refractory brick wastes (finely crushed), with the dosage of each type of bricks is kept constant, similar the dosage of silica fume used for the control concrete. While all the other components and the water/binder ratio are maintained constant with the same quantity of the superplasticizer. The performance of HPFRC, were evaluated by determining the essential characteristics of fresh and hardened concrete.

Keywords: refractory bricks, concrete, fiber, fluidity, compressive strength, tensile strength

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30510 A Novel Cold Asphalt Concrete Mixture for Heavily Trafficked Binder Course

Authors: Anmar Dulaimi, Hassan Al Nageim, Felicite Ruddock, Linda Seton

Abstract:

Cold bituminous asphalt mixture (CBEM) provide a sustainable, cost effective and energy efficiency alternative to traditional hot mixtures. However, these mixtures have a comparatively low initial strength and as it is considered as evolutionary materials, mainly in the early life where the initial cohesion is low and builds up slowly. On the other hand, asphalt concrete is, by far, the most common mixtures in use as binder course and base in road pavement in the UK having a continuous grade offer a good aggregate interlock results in this material having very good load-spreading properties as well as a high resistance to permanent deformation. This study aims at developing a novel fast curing cold asphalt concrete binder course mixtures by using Ordinary Portland Cement (OPC) as a replacement to conventional mineral filler (0%-100%) while new by-product material (LJMU-A2) was used as a supplementary cementitious material. With this purpose, cold asphalt concrete binder course mixtures with cationic emulsions were studied by means of stiffness modulus whereas water sensitivity was approved by assessing the stiffness modulus ratio before and after sample conditioning. The results indicate that a substantial enhancement in the stiffness modulus and a considerable improvement of water sensitivity resistance by adding of LJMU-A2 to the cold asphalt mixtures as a supplementary cementitious material. Moreover, the addition of LJMU-A2 to those mixtures leads to stiffness modulus after 2- day curing comparable to those obtained with Portland cement after 7-day curing.

Keywords: cold mix asphalt, binder course, cement, stiffness modulus, water sensitivity

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30509 Main Chaos-Based Image Encryption Algorithm

Authors: Ibtissem Talbi

Abstract:

During the last decade, a variety of chaos-based cryptosystems have been investigated. Most of them are based on the structure of Fridrich, which is based on the traditional confusion-diffusion architecture proposed by Shannon. Compared with traditional cryptosystems (DES, 3DES, AES, etc.), the chaos-based cryptosystems are more flexible, more modular and easier to be implemented, which make them suitable for large scale-data encyption, such as images and videos. The heart of any chaos-based cryptosystem is the chaotic generator and so, a part of the efficiency (robustness, speed) of the system depends greatly on it. In this talk, we give an overview of the state of the art of chaos-based block ciphers and we describe some of our schemes already proposed. Also we will focus on the essential characteristics of the digital chaotic generator, The needed performance of a chaos-based block cipher in terms of security level and speed of calculus depends on the considered application. There is a compromise between the security and the speed of the calculation. The security of these block block ciphers will be analyzed.

Keywords: chaos-based cryptosystems, chaotic generator, security analysis, structure of Fridrich

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30508 Three Dimensional Dynamic Analysis of Water Storage Tanks Considering FSI Using FEM

Authors: S. Mahdi S. Kolbadi, Ramezan Ali Alvand, Afrasiab Mirzaei

Abstract:

In this study, to investigate and analyze the seismic behavior of concrete in open rectangular water storage tanks in two-dimensional and three-dimensional spaces, the Finite Element Method has been used. Through this method, dynamic responses can be investigated together in fluid storages system. Soil behavior has been simulated using tanks boundary conditions in linear form. In this research, in addition to flexibility of wall, the effects of fluid-structure interaction on seismic response of tanks have been investigated to account for the effects of flexible foundation in linear boundary conditions form, and a dynamic response of rectangular tanks in two-dimensional and three-dimensional spaces using finite element method has been provided. The boundary conditions of both rigid and flexible walls in two-dimensional finite element method have been considered to investigate the effect of wall flexibility on seismic response of fluid and storage system. Furthermore, three-dimensional model of fluid-structure interaction issue together with wall flexibility has been analyzed under the three components of earthquake. The obtained results show that two-dimensional model is also accurately near to the results of three-dimension as well as flexibility of foundation leads to absorb received energy and relative reduction of responses.

Keywords: dynamic behavior, flexible wall, fluid-structure interaction, water storage tank

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30507 High Aspect Ratio Micropillar Array Based Microfluidic Viscometer

Authors: Ahmet Erten, Adil Mustafa, Ayşenur Eser, Özlem Yalçın

Abstract:

We present a new viscometer based on a microfluidic chip with elastic high aspect ratio micropillar arrays. The displacement of pillar tips in flow direction can be used to analyze viscosity of liquid. In our work, Computational Fluid Dynamics (CFD) is used to analyze pillar displacement of various micropillar array configurations in flow direction at different viscosities. Following CFD optimization, micro-CNC based rapid prototyping is used to fabricate molds for microfluidic chips. Microfluidic chips are fabricated out of polydimethylsiloxane (PDMS) using soft lithography methods with molds machined out of aluminum. Tip displacements of micropillar array (300 µm in diameter and 1400 µm in height) in flow direction are recorded using a microscope mounted camera, and the displacements are analyzed using image processing with an algorithm written in MATLAB. Experiments are performed with water-glycerol solutions mixed at 4 different ratios to attain 1 cP, 5 cP, 10 cP and 15 cP viscosities at room temperature. The prepared solutions are injected into the microfluidic chips using a syringe pump at flow rates from 10-100 mL / hr and the displacement versus flow rate is plotted for different viscosities. A displacement of around 1.5 µm was observed for 15 cP solution at 60 mL / hr while only a 1 µm displacement was observed for 10 cP solution. The presented viscometer design optimization is still in progress for better sensitivity and accuracy. Our microfluidic viscometer platform has potential for tailor made microfluidic chips to enable real time observation and control of viscosity changes in biological or chemical reactions.

Keywords: Computational Fluid Dynamics (CFD), high aspect ratio, micropillar array, viscometer

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30506 Antimicrobial Nanocompositions Made of Amino Acid Based Biodegradable Polymers

Authors: Nino Kupatadze, Mzevinar Bedinashvili, Tamar Memanishvili, Manana Gurielidze, David Tugushi, Ramaz Katsarava

Abstract:

Bacteria easily colonize the surfaces of tissues, surgical devices (implants, orthopedics, catheters, etc.), and instruments causing surgical device related infections. Therefore, the battle against bacteria and the prevention of surgical devices from biofilm formation is one of the main challenges of biomedicine today. Our strategy to the solution of this problem consists in using antimicrobial polymeric coatings as effective “shields” to protect surfaces from bacteria’s colonization and biofilm formation. As one of the most promising approaches look be the use of antimicrobial bioerodible polymeric nanocomposites containing silver nanoparticles (AgNPs). We assume that the combination of an erodible polymer with a strong bactericide should put obstacles to bacteria to occupy the surface and to form biofilm. It has to be noted that this kind of nanocomposites are also promising as wound dressing materials to treat infected superficial wounds. Various synthetic and natural polymers were used for creating biocomposites containing AgNPs as both particles' stabilizers and matrices forming elastic films at surfaces. One of the most effective systems to fabricate AgNPs is an ethanol solution of polyvinylpyrrolidone(PVP) with dissolved AgNO3–ethanol serves as a AgNO3 reductant and PVP as AgNPs stabilizer (through the interaction of nanoparticles with nitrogen atom of the amide group). Though PVP is biocompatible and film-forming polymer, it is not a good candidate to design either "biofilm shield" or wound dressing material because of a high solubility in water – though the solubility of PVP provides the desirable release of AgNPs from the matrix, but the coating is easily washable away from the surfaces. More promising as matrices look water insoluble but bioerodible polymers that can provide the release of AgNPs and form long-lasting coatings at the surfaces. For creating bioerodible water-insoluble antimicrobial coatings containing AgNPs, we selected amino acid based biodegradable polymers(AABBPs)–poly(ester amide)s, poly(ester urea)s, their copolymers containing amide and related groups capable to stabilize AgNPs. Among a huge variety of AABBPs reported we selected the polymers soluble in ethanol. For preparing AgNPs containing nanocompositions AABBPs and AgNO3 were dissolved in ethanol and subjected to photochemical reduction using daylight-irradiation. The formation of AgNPs was observed visually by coloring the solutions in brownish-red. The obtained AgNPs were characterized by UV-spectroscopy, transmission electron microscopy(TEM), and dynamic light scattering(DLS). According to the UV and TEM data, the photochemical reduction resulted presumably in spherical AgNPs with rather high contribution of the particles below 10 nm that are known as responsible for the antimicrobial activity. DLS study showed that average size of nanoparticles formed after photo-reduction in ethanol solution ranged within 50 nm. The in vitro antimicrobial activity study of the new nanocomposite material is in progress now.

Keywords: nanocomposites, silver nanoparticles, polymer, biodegradable

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30505 Physical Properties of Nine Nigerian Staple Food Flours Related to Bulk Handling and Processing

Authors: Ogunsina Babatunde, Aregbesola Omotayo, Adebayo Adewale, Odunlami Johnson

Abstract:

The physical properties of nine Nigerian staple food flours related to bulk handling and processing were investigated following standard procedures. The results showed that the moisture content, bulk density, angle of repose, water absorption capacity, swelling index, dispersability, pH and wettability of the flours ranged from 9.95 to 11.98%, 0.44 to 0.66 g/cm3, 31.43 to 39.65o, 198.3 to 291.7 g of water/100 g of sample, 5.53 to 7.63, 60.3 to 73.8%, 4.43 to 6.70, and 11 to 150 s. The particle size analysis of the flour samples indicated significant differences (p<0.05). The least gelation concentration of the flour samples ranged from 6 to 14%. The colour of the flours fell between light and saturated, with the exception of cassava, millet and maize flours which appear dark and dull. The properties of food flours depend largely on the inherent property of the food material and may influence their functional behaviour as food materials.

Keywords: properties, flours, staple food, bulk handling

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30504 Monitoring the Pollution Status of the Goan Coast Using Genotoxicity Biomarkers in the Bivalve, Meretrix ovum

Authors: Avelyno D'Costa, S. K. Shyama, M. K. Praveen Kumar

Abstract:

The coast of Goa, India receives constant anthropogenic stress through its major rivers which carry mining rejects of iron and manganese ores from upstream mining sites and petroleum hydrocarbons from shipping and harbor-related activities which put the aquatic fauna such as bivalves at risk. The present study reports the pollution status of the Goan coast by the above xenobiotics employing genotoxicity studies. This is further supplemented by the quantification of total petroleum hydrocarbons (TPHs) and various trace metals (iron, manganese, copper, cadmium, and lead) in gills of the estuarine clam, Meretrix ovum as well as from the surrounding water and sediment, over a two-year sampling period, from January 2013 to December 2014. Bivalves were collected from a probable unpolluted site at Palolem and a probable polluted site at Vasco, based upon the anthropogenic activities at these sites. Genotoxicity was assessed in the gill cells using the comet assay and micronucleus test. The quantity of TPHs and trace metals present in gill tissue, water and sediments were analyzed using spectrofluorometry and atomic absorption spectrophotometry (AAS), respectively. The statistical significance of data was analyzed employing Student’s t-test. The relationship between DNA damage and pollutant concentrations was evaluated using multiple regression analysis. Significant DNA damage was observed in the bivalves collected from Vasco which is a region of high industrial activity. Concentrations of TPHs and trace metals (iron, manganese, and cadmium) were also found to be significantly high in gills of the bivalves collected from Vasco compared to those collected from Palolem. Further, the concentrations of these pollutants were also found to be significantly high in the water and sediments at Vasco compared to that of Palolem. This may be due to the lack of industrial activity at Palolem. A high positive correlation was observed between the pollutant levels and DNA damage in the bivalves collected from Vasco suggesting the genotoxic nature of these pollutants. Further, M. ovum can be used as a bioindicator species for monitoring the level of pollution of the estuarine/coastal regions by TPHs and trace metals.

Keywords: comet assay, metals, micronucleus test, total petroleum Hydrocarbons

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30503 Influence of Layer-by-Layer Coating Parameters on the Properties of Hybrid Membrane for Water Treatment

Authors: Jenny Radeva, Anke-Gundula Roth, Christian Goebbert, Robert Niestroj-Pahl, Lars Daehne, Axel Wolfram, Juergen WIese

Abstract:

The presented investigation studies the correlation between the process parameters of Layer-by-Layer (LbL) coatings and properties of the produced hybrid membranes for water treatment. The coating of alumina ceramic support membrane with polyelectrolyte multilayers on top results in hybrid membranes with increased fouling resistant behavior, high retention (up to 90%) of salt ions and various pharmaceuticals, selectivity to various organic molecules as known from LbL coated polyether sulfone membranes and the possibility of pH response control. Chosen polyelectrolytes were added to the support using the LbL-coating process. Parameters like the type of polyelectrolyte, ionic strength, and pH were varied in order to find the most suitable process conditions and to study how they influence the properties of the final product. The applied LbL-films was investigated in respect to its homogeneity and penetration depth. The analysis of the layer buildup was performed using fluorescence labeled polyelectrolyte molecules and Confocal Laser Scanning Microscopy as well as Scanning and Transmission Electron Microscopy. Furthermore, the influence of the coating parameters on the porosity, surface potential, retention, and permeability of the developed hybrid membranes were estimated. In conclusion, a comparison was drawn between the filtration performance of the uncoated alumina ceramic membrane and modified hybrid membranes.

Keywords: water treatment, membranes, ceramic membranes, hybrid membranes, layer-by-layer modification

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30502 Potassium Fertilization Improves Rice Yield in Aerobic Production System by Decreasing Panicle Sterility

Authors: Abdul Wakeel, Hafeez Ur Rehman, Muhammad Umair Mubarak

Abstract:

Rice is the second most important staple food in Pakistan after wheat. It is not only a healthy food for the people of all age groups but also a source of foreign exchange for Pakistan. Instead of bright history for Basmati rice production, we are suffering from multiple problems reducing yield and quality as well. Rice lodging and water shortage for an-aerobic rice production system is among major glitches of it. Due to water shortage an-aerobic rice production system has to be supplemented or replaced by aerobic rice system. Aerobic rice system has been adopted for production of non-basmati rice in many parts of the world. Also for basmati rice, significant efforts have been made for aerobic rice production, however still has to be improved for effective recommendations. Among two major issues for aerobic rice, weed elimination has been solved to great extent by introducing suitable herbicides, however, low yield production due weak grains and panicle sterility is still elusive. It has been reported that potassium (K) has significant role to decrease panicle sterility in cereals. Potassium deficiency is obvious for rice under aerobic rice production system due to lack of K gradient coming with irrigation water and lowered indigenous K release from soils. Therefore it was hypothesized that K application under aerobic rice production system may improve the rice yield by decreasing panicle sterility. Results from pot and field experiments confirm that application of K fertilizer significantly increased the rice grain yield due to decreased panicle sterility and improving grain health. The quality of rice was also improved by K fertilization.

Keywords: DSR, Basmati rice, aerobic, potassium

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30501 Isotope Effects on Inhibitors Binding to HIV Reverse Transcriptase

Authors: Agnieszka Krzemińska, Katarzyna Świderek, Vicente Molinier, Piotr Paneth

Abstract:

In order to understand in details the interactions between ligands and the enzyme isotope effects were studied between clinically used drugs that bind in the active site of Human Immunodeficiency Virus Reverse Transcriptase, HIV-1 RT, as well as triazole-based inhibitor that binds in the allosteric pocket of this enzyme. The magnitudes and origins of the resulting binding isotope effects were analyzed. Subsequently, binding isotope effect of the same triazole-based inhibitor bound in the active site were analyzed and compared. Together, these results show differences in binding origins in two sites of the enzyme and allow to analyze binding mode and place of newly synthesized inhibitors. Typical protocol is described below on the example of triazole ligand in the allosteric pocket. Triazole was docked into allosteric cavity of HIV-1 RT with Glide using extra-precision mode as implemented in Schroedinger software. The structure of HIV-1 RT was obtained from Protein Data Bank as structure of PDB ID 2RKI. The pKa for titratable amino acids was calculated using PROPKA software, and in order to neutralize the system 15 Cl- were added using tLEaP package implemented in AMBERTools ver.1.5. Also N-terminals and C-terminals were build using tLEaP. The system was placed in 144x160x144Å3 orthorhombic box of water molecules using NAMD program. Missing parameters for triazole were obtained at the AM1 level using Antechamber software implemented in AMBERTools. The energy minimizations were carried out by means of a conjugate gradient algorithm using NAMD. Then system was heated from 0 to 300 K with temperature increment 0.001 K. Subsequently 2 ns Langevin−Verlet (NVT) MM MD simulation with AMBER force field implemented in NAMD was carried out. Periodic Boundary Conditions and cut-offs for the nonbonding interactions, range radius from 14.5 to 16 Å, are used. After 2 ns relaxation 200 ps of QM/MM MD at 300 K were simulated. The triazole was treated quantum mechanically at the AM1 level, protein was described using AMBER and water molecules were described using TIP3P, as implemented in fDynamo library. Molecules 20 Å apart from the triazole were kept frozen, with cut-offs established on range radius from 14.5 to 16 Å. In order to describe interactions between triazole and RT free energy of binding using Free Energy Perturbation method was done. The change in frequencies from ligand in solution to ligand bounded in enzyme was used to calculate binding isotope effects.

Keywords: binding isotope effects, molecular dynamics, HIV, reverse transcriptase

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