Search results for: water consumption prediction
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 13356

Search results for: water consumption prediction

1806 Environmental Health Risk Assessment of Hospital Wastewater in Enugu Urban, Nigeria

Authors: C. T. Eze, I. N. E. Onwurah

Abstract:

An important hydrogeologic problem in areas of high faults formations is high environmental health hazard occasioned by microbial and heavy metals contamination of ground waters. Consequently, we examined the microbial load and heavy metals concentration of hospital wastewater discharged into the environment at Park Lane General Hospital Enugu Urban, Nigeria. The microbial counts, characteristics and frequency of occurrences of the isolated microorganisms were determined by cultural, morphological and biochemical characteristics using established procedure while the varying concentrations of the identified heavy metals were determined using the spectrophotometric method. The microbiological analyses showed a mean total aerobic bacteria counts from 13.7 ± 0.65 × 107 to 22.8 ± 1.14 ×1010 CFU/ml, mean total anaerobic bacteria counts from 6.0 ± 1.6 × 103 to 1.7 ± 0.41 ×104 CFU/ml and mean total fungal counts from 0 ± 0 to 2.3 ± 0.16 × 105 CFU/ml. The isolated micro-organisms which included both pathogenic and non-pathogenic organisms were Staphylococcus aureus, Escherichia coli, Pseudomonas aeruginosa, Salmonella typhi, Bacillus subtilis, Proteus vulgaris, Klesbsiella pneumonia and bacteriodes sp. The only fungal isolate was Candida albican. The heavy metals identified in the leachate were Arsenic, Cadmium, Lead, Mercury and Chromium and their concentrations ranged from 0.003 ± 0.00082 to 0.14 ± 0.0082 mg/l. These values were above WHO permissible limits while others fall within the limits. Therefore, hospital waste water can pose the environmental health risk when not properly treated before discharge, especially in geologic formations with high fault formations.

Keywords: bacterial isolates, fungal isolates, heavy metals, hospital wastewater, microbial counts

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1805 The State and Poverty Reduction Strategy in Nigeria: An Assessement

Authors: Musa Ogah Ari

Abstract:

Poverty has engaged the attention of the global community. Both the rich and poor countries are concerned about its prevalence and impacts. This phenomenon is more pervasive among developing countries with the greater challenges manifesting among African countries. In Nigeria people live with very low income, and so decent three-square meals, clothes, shelter and other basic necessities are very difficult to come by for most of the population. Qualitative health facilities are seriously lacking to over 160 million population in the state. Equally lacking are educational and social infrastructures that can be available to the people at affordable rates. Roads linking the interior parts of the state are generally in deplorable conditions, particularly in the rainy season. Safe drinking water is hard to come by as the state is not properly placed and equipped to function in full capacity to serve the interest of the people. The challenges of poverty is definitely enormous for both the national and state governments consequently, debilitating scourge of poverty. As the ruling elites in Nigeria claim to reduce the rising profile of poverty through series of policies and programmes, food production, promotion and funding of co-operatives for agriculture, improvement of infrastructures at the rural areas to guaranteeing employment through skill acquisition, assistance of rural women to break away from poverty and the provision of small scale credit facilities to poor members of the public were abysmally low. It is observed that the poverty alleviation programmes and policies failed because they were by nature, character and implementation pro-elites and anti-masses. None of the programmes or policies engaged the rural poor either in terms of formulation or implementation.

Keywords: the state, poverty, government policies, strategies, social amenities, corruption

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1804 Effects of the Tomato Pomace Oil Extract on Physical and Antioxidant Properties of Gelatin Films

Authors: N. Jirukkakul, J. Sodtipinta

Abstract:

Tomatoes are widely consumed as fresh and processed products through the manufacturing industry. Therefore, tomato pomace is generated as a by-product accounting for about 5-13% of the whole tomato. Antioxidants still remain in tomato pomace and extraction of tomato oil may useful in edible film production. The edible film solution was prepared by mixing gelatin (2, 4 and 6%) with the distilled water and heating at 40oC for 30 min. Effect of tomato pomace oil was evaluated at 0, 0.5 and 1%. Film solution was poured in plate and dried overnight at 40oC before determining the physical properties, which are tensile strength, moisture content, color, solubility, and swelling power. The results showed that an increase gelatin concentration caused increasing of tensile strength, moisture content, solubility and swelling power. The edible film with tomato pomace oil extract appeared as the rough film with oil droplet dispersion. The addition of tomato pomace oil extract caused an increase in lightness, redness and yellowness, while tensile strength, moisture content, and solubility were decreased. Film with tomato pomace oil extract at 0.5 and 1% exhibited antioxidant properties but those properties were not significantly different (p<0.05) between film incorporated with tomato pomace oil extract 0.5 and 1%. The suitable condition for film production in this study, 4% of gelatin and 0.5% of tomato pomace oil extract, was selected for protecting oxidation of palm oil. At 15 days of the storage period, the palm oil which covered by gelatin film with tomato pomace oil extract had 22.45 milliequivalents/kg of peroxide value (PV), while, the palm oil which covered by polypropylene film and control had 24.79 and 26.67 milliequivalents/kg, respectively. Therefore, incorporation of tomato pomace oil extract in gelatin film was able to protect the oxidation of food products with high fat content.

Keywords: antioxidant, gelatin films, physical properties, tomato oil extract

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1803 Experimental Study of Flow Characteristics for a Cylinder with Respect to Attached Flexible Strip Body of Various Reynolds Number

Authors: S. Teksin, S. Yayla

Abstract:

The aim of the present study was to investigate details of flow structure in downstream of a circular cylinder base mounted on a flat surface in a rectangular duct with the dimensions of 8000 x 1000 x 750 mm in deep water flow for the Reynolds number 2500, 5000 and 7500. A flexible strip was attached to behind the cylinder and compared the bare body. Also, it was analyzed that how boundary layer affects the structure of flow around the cylinder. Diameter of the cylinder was 60 mm and the length of the flexible splitter plate which had a certain modulus of elasticity was 150 mm (L/D=2.5). Time-averaged velocity vectors, vortex contours, streamwise and transverse velocity components were investigated via Particle Image Velocimetry (PIV). Velocity vectors and vortex contours were displayed through the sections in which boundary layer effect was not present. On the other hand, streamwise and transverse velocity components were monitored for both cases, i.e. with and without boundary layer effect. Experiment results showed that the vortex formation occured in a larger area for L/D=2.5 and the point where the vortex was maximum from the base of the cylinder was shifted. Streamwise and transverse velocity component contours were symmetrical with reference to the center of the cylinder for all cases. All Froud numbers based on the Reynolds numbers were quite smaller than 1. The flow characteristics of velocity component values of attached circular cylinder arrangement decreased approximately twenty five percent comparing to bare cylinder case.

Keywords: partical image velocimetry, elastic plate, cylinder, flow structure

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1802 Management of Urban Wastewater in the City of Maradi (Niger): The Case of Domestic Wastewater

Authors: Saidou Hassidou, Laminou Ary Mahaman Moustapha

Abstract:

Uncontrolled urbanization of African cities, plus the lack of municipal waste management services in these cities, generate landscapes become places of multiple and varied interactions between health and environment. In this sense, under strong urban growth in a context of sub-equipment sanitation, the city of Maradi doesn’t escape to this situation which results in the spread of pollution (release of unpleasant odors, proliferation of mosquitoes) and many diseases posing multiple health problems. Our study focuses only on liquid waste especially domestic wastewater. To study the different domestic wastewater management options in the town of Maradi, a survey was conducted among 340 households in 17 districts. We note in most cases a crucial of waste management infrastructure (drainage and wastewater treatment) at the city. Thus, only the individual sanitation facilities are used. In the town of Maradi, in addition to the storm drains, there are, in old districts, ditches that discharge wastewater and unfortunately end up in rivers without treatment. Domestic wastewater total production is estimated at 86,761.28 m3 per day. This water is mostly from laundry activities, bathing, dishes, and is discharged in large part through the streets, by more than 60% of households. Also, pit emptying is performed at 39.11% by the vehicle Peugeot tank. The quality of service rendered by an actor is very important to encourage households to join. Existing autonomous sanitation facilities are poorly designed and poorly maintained. Fecal sludge is dumped in a hole near saturated latrines; this work is mainly done by manual scavengers or dumped in fields or on nearby vacant land concessions.

Keywords: management, urban wastewater, domestic wastewater, Maradi, Niger

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1801 Optimization of Municipal Solid Waste Management in Peshawar Using Mathematical Modelling and GIS with Focus on Incineration

Authors: Usman Jilani, Ibad Khurram, Irshad Hussain

Abstract:

Environmentally sustainable waste management is a challenging task as it involves multiple and diverse economic, environmental, technical and regulatory issues. Municipal Solid Waste Management (MSWM) is more challenging in developing countries like Pakistan due to lack of awareness, technology and human resources, insufficient funding, inefficient collection and transport mechanism resulting in the lack of a comprehensive waste management system. This work presents an overview of current MSWM practices in Peshawar, the provincial capital of Khyber Pakhtunkhwa, Pakistan and proposes a better and sustainable integrated solid waste management system with incineration (Waste to Energy) option. The diverted waste would otherwise generate revenue; minimize land fill requirement and negative impact on the environment. The proposed optimized solution utilizing scientific techniques (like mathematical modeling, optimization algorithms and GIS) as decision support tools enhances the technical & institutional efficiency leading towards a more sustainable waste management system through incorporating: - Improved collection mechanisms through optimized transportation / routing and, - Resource recovery through incineration and selection of most feasible sites for transfer stations, landfills and incineration plant. These proposed methods shift the linear waste management system towards a cyclic system and can also be used as a decision support tool by the WSSP (Water and Sanitation Services Peshawar), agency responsible for the MSWM in Peshawar.

Keywords: municipal solid waste management, incineration, mathematical modeling, optimization, GIS, Peshawar

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1800 Evaluation of the Dry Compressive Strength of Refractory Bricks Developed from Local Kaolin

Authors: Olanrewaju Rotimi Bodede, Akinlabi Oyetunji

Abstract:

Modeling the dry compressive strength of sodium silicate bonded kaolin refractory bricks was studied. The materials used for this research work included refractory clay obtained from Ijero-Ekiti kaolin deposit on coordinates 7º 49´N and 5º 5´E, sodium silicate obtained from the open market in Lagos on coordinates 6°27′11″N 3°23′45″E all in the South Western part of Nigeria. The mineralogical composition of the kaolin clay was determined using the Energy Dispersive X-Ray Fluorescence Spectrometer (ED-XRF). The clay samples were crushed and sieved using the laboratory pulveriser, ball mill and sieve shaker respectively to obtain 100 μm diameter particles. Manual pipe extruder of dimension 30 mm diameter by 43.30 mm height was used to prepare the samples with varying percentage volume of sodium silicate 5 %, 7.5 % 10 %, 12.5 %, 15 %, 17.5 %, 20% and 22.5 % while kaolin and water were kept at 50 % and 5 % respectively for the comprehensive test. The samples were left to dry in the open laboratory atmosphere for 24 hours to remove moisture. The samples were then were fired in an electrically powered muffle furnace. Firing was done at the following temperatures; 700ºC, 750ºC, 800ºC, 850ºC, 900ºC, 950ºC, 1000ºC and 1100ºC. Compressive strength test was carried out on the dried samples using a Testometric Universal Testing Machine (TUTM) equipped with a computer and printer, optimum compression of 4.41 kN/mm2 was obtained at 12.5 % sodium silicate; the experimental results were modeled with MATLAB and Origin packages using polynomial regression equations that predicted the estimated values for dry compressive strength and later validated with Pearson’s rank correlation coefficient, thereby obtaining a very high positive correlation value of 0.97.

Keywords: dry compressive strength, kaolin, modeling, sodium silicate

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1799 Creating Risk Maps on the Spatiotemporal Occurrence of Agricultural Insecticides in Sub-Saharan Africa

Authors: Chantal Hendriks, Harry Gibson, Anna Trett, Penny Hancock, Catherine Moyes

Abstract:

The use of modern inputs for crop protection, such as insecticides, is strongly underestimated in Sub-Saharan Africa. Several studies measured toxic concentrations of insecticides in fruits, vegetables and fish that were cultivated in Sub-Saharan Africa. The use of agricultural insecticides has impact on human and environmental health, but it also has the potential to impact on insecticide resistance in malaria transmitting mosquitos. To analyse associations between historic use of agricultural insecticides and the distribution of insecticide resistance through space and time, the use and environmental fate of agricultural insecticides needs to be mapped through the same time period. However, data on the use and environmental fate of agricultural insecticides in Africa are limited and therefore risk maps on the spatiotemporal occurrence of agricultural insecticides are created using environmental data. Environmental data on crop density and crop type were used to select the areas that most likely receive insecticides. These areas were verified by a literature review and expert knowledge. Pesticide fate models were compared to select most dominant processes that are involved in the environmental fate of insecticides and that can be mapped at a continental scale. The selected processes include: surface runoff, erosion, infiltration, volatilization and the storing and filtering capacity of soils. The processes indicate the risk for insecticide accumulation in soil, water, sediment and air. A compilation of all available data for traces of insecticides in the environment was used to validate the maps. The risk maps can result in space and time specific measures that reduce the risk of insecticide exposure to non-target organisms.

Keywords: crop protection, pesticide fate, tropics, insecticide resistance

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1798 Hybrid-Nanoengineering™: A New Platform for Nanomedicine

Authors: Mewa Singh

Abstract:

Nanomedicine, a fusion of nanotechnology and medicine, is an emerging technology ideally suited to the targeted therapies. Nanoparticles overcome the low selectivity of anti-cancer drugs toward the tumor as compared to normal tissue and hence result-in less severe side-effects. Our new technology, HYBRID-NANOENGINEERING™, uses a new molecule (MR007) in the creation of nanoparticles that not only helps in nanonizing the medicine but also provides synergy to the medicine. The simplified manufacturing process will result in reduced manufacturing costs. Treatment is made more convenient because hybrid nanomedicines can be produced in oral, injectable or transdermal formulations. The manufacturing process uses no protein, oil or detergents. The particle size is below 180 nm with a narrow distribution of size. Importantly, these properties confer great stability of the structure. The formulation does not aggregate in plasma and is stable over a wide range of pH. The final hybrid formulation is stable for at least 18 months as a powder. More than 97 drugs, including paclitaxel, docetaxel, tamoxifen, doxorubicinm prednisone, and artemisinin have been nanonized in water soluble formulations. Preclinical studies on cell cultures of tumors show promising results. Our HYBRID-NANOENGINEERING™ platform enables the design and development of hybrid nano-pharmaceuticals that combine efficacy with tolerability, giving patients hope for both extended overall survival and improved quality of life. This study would discuss or present this new discovery of HYBRID-NANOENGINEERING™ which targets drug delivery, synergistic, and potentiating effects, and barriers of drug delivery and advanced drug delivery systems.

Keywords: nano-medicine, nano-particles, drug delivery system, pharmaceuticals

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1797 Impacts and Management of Oil Spill Pollution along the Chabahar Bay by ESI Mapping, Iran

Authors: M. Sanjarani, A. Danehkar, A. Mashincheyan, A. H. Javid, S. M. R. Fatemi

Abstract:

The oil spill in marine water has direct impact on coastal resources and community. Environmental Sensitivity Index (ESI) map is the first step to assess the potential impact of an oil spill and minimize the damage of coastal resources. In order to create Environmental Sensitivity Maps for the Chabahar bay (Iran), information has been collected in three different layers (Shoreline Classification, Biological and Human- uses resources) by means of field observations and measurements of beach morphology, personal interviews with professionals of different areas and the collection of bibliographic information. In this paper an attempt made to prepare an ESI map for sensitivity to oil spills of Chabahar bay coast. The Chabahar bay is subjected to high threaten to oil spill because of port, dense mangrove forest,only coral spot in Oman Sea and many industrial activities. Mapping the coastal resources, shoreline and coastal structures was carried out using Satellite images and GIS technology. The coastal features classified into three major categories as: Shoreline Classification, Biological and Human uses resources. The important resources classified into mangrove, Exposed tidal flats, sandy beach, etc. The sensitivity of shore was ranked as low to high (1 = low sensitivity,10 = high sensitivity) based on geomorphology of Chabahar bay coast using NOAA standards (sensitivity to oil, ease of clean up, etc). Eight ESI types were found in the area namely; ESI 1A, 1C, 3A, 6B, 7, 8B,9A and 10D. Therefore, in the study area, 50% were defined as High sensitivity, less than 1% as Medium, and 49% as low sensitivity areas. The ESI maps are useful to the oil spill responders, coastal managers and contingency planners. The overall ESI mapping product can provide a valuable management tool not only for oil spill response but for better integrated coastal zone management.

Keywords: ESI, oil spill, GIS, Chabahar Bay, Iran

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1796 Driving Forces of Net Carbon Emissions in a Tropical Dry Forest, Oaxaca, México

Authors: Rogelio Omar Corona-Núñez, Alma Mendoza-Ponce

Abstract:

The Tropical Dry Forest not only is one of the most important tropical ecosystems in terms of area, but also it is one of the most degraded ecosystems. However, little is known about the degradation impacts on carbon stocks, therefore in carbon emissions. There are different studies which explain its deforestation dynamics, but there is still a lack of understanding of how they correlate to carbon losses. Recently different authors have built current biomass maps for the tropics and Mexico. However, it is not clear how well they predict at the local scale, and how they can be used to estimate carbon emissions. This study quantifies the forest net carbon losses by comparing the potential carbon stocks and the different current biomass maps in the Southern Pacific coast in Oaxaca, Mexico. The results show important differences in the current biomass estimates with not a clear agreement. However, by the aggregation of the information, it is possible to infer the general patterns of biomass distribution and it can identify the driving forces of the carbon emissions. This study estimated that currently ~44% of the potential carbon stock estimated for the region is still present. A total of 6,764 GgC has been emitted due to deforestation and degradation of the forest at a rate of above ground biomass loss of 66.4 Mg ha-1. Which, ~62% of the total carbon emissions can be regarded as being due to forest degradation. Most of carbon losses were identified in places suitable for agriculture, close to rural areas and to roads while the lowest losses were accounted in places with high water stress and within the boundaries of the National Protected Area. Moreover, places not suitable for agriculture, but close to the coast showed carbon losses as a result of urban settlements.

Keywords: above ground biomass, deforestation, degradation, driving forces, tropical deciduous forest

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1795 Effect of Season on Semen Production of Nubian and Saanen Bucks in Sudan

Authors: E. A. Babiker, S. A. Makawi

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The influence of the season (autumn, winter, and summer) on semen production in Nubian and Saanen bucks was studied. Seven mature bucks (4 Nubian and 3 Saanen) were used in this study to prepare semen samples which were collected with an artificial vagina. The samples were extended in Tris-egg yolk-glycerol-glucose extender, frozen, and stored in liquid nitrogen at –196 0C for 48 hours. Straws were thawed in water at –37 0C for 15 seconds before sperm evaluation (post-thaw sperm motility). There was a significant seasonal variation in both semen quantity (volume, concentration, and the total number of spermatozoa per ejaculate) and quality (percentage of sperm motility, percentage of post-thaw sperm motility, and dead spermatozoa). Greater ejaculate volumes were observed during summer and autumn in comparison to winter. Higher values of sperms concentration were observed during autumn, while the lowest sperm concentration values were observed during summer. Higher values of sperm motility were observed during autumn in comparison to summer. Lower values of dead spermatozoa were recorded during autumn, while the highest percentages of dead spermatozoa were observed during summer for the two breeds of bucks. The influence of season on post-thaw sperm motility was significant. Semen frozen during autumn and winter had the highest values, while during summer, lower mean values were observed. The best semen was produced during autumn and winter, while during summer, poor semen quality was recorded.

Keywords: season, Nubian, Saanen, semen production, Sudan

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1794 Methodology to Assess the Circularity of Industrial Processes

Authors: Bruna F. Oliveira, Teresa I. Gonçalves, Marcelo M. Sousa, Sandra M. Pimenta, Octávio F. Ramalho, José B. Cruz, Flávia V. Barbosa

Abstract:

The EU Circular Economy action plan, launched in 2020, is one of the major initiatives to promote the transition into a more sustainable industry. The circular economy is a popular concept used by many companies nowadays. Some industries are better forwarded to this reality than others, and the tannery industry is a sector that needs more attention due to its strong environmental impact caused by its dimension, intensive resources consumption, lack of recyclability, and second use of its products, as well as the industrial effluents generated by the manufacturing processes. For these reasons, the zero-waste goal and the European objectives are further being achieved. In this context, a need arises to provide an effective methodology that allows to determine the level of circularity of tannery companies. Regarding the complexity of the circular economy concept, few factories have a specialist in sustainability to assess the company’s circularity or have the ability to implement circular strategies that could benefit the manufacturing processes. Although there are several methodologies to assess circularity in specific industrial sectors, there is not an easy go-to methodology applied in factories aiming for cleaner production. Therefore, a straightforward methodology to assess the level of circularity, in this case of a tannery industry, is presented and discussed in this work, allowing any company to measure the impact of its activities. The methodology developed consists in calculating the Overall Circular Index (OCI) by evaluating the circularity of four key areas -energy, material, economy and social- in a specific factory. The index is a value between 0 and 1, where 0 means a linear economy, and 1 is a complete circular economy. Each key area has a sub-index, obtained through key performance indicators (KPIs) regarding each theme, and the OCI reflects the average of the four sub-indexes. Some fieldwork in the appointed company was required in order to obtain all the necessary data. By having separate sub-indexes, one can observe which areas are more linear than others. Thus, it is possible to work on the most critical areas by implementing strategies to increase the OCI. After these strategies are implemented, the OCI is recalculated to check the improvements made and any other changes in the remaining sub-indexes. As such, the methodology in discussion works through continuous improvement, constantly reevaluating and improving the circularity of the factory. The methodology is also flexible enough to be implemented in any industrial sector by adapting the KPIs. This methodology was implemented in a selected Portuguese small and medium-sized enterprises (SME) tannery industry and proved to be a relevant tool to measure the circularity level of the factory. It was witnessed that it is easier for non-specialists to evaluate circularity and identify possible solutions to increase its value, as well as learn how one action can impact their environment. In the end, energetic and environmental inefficiencies were identified and corrected, increasing the sustainability and circularity of the company. Through this work, important contributions were provided, helping the Portuguese SMEs to achieve the European and UN 2030 sustainable goals.

Keywords: circular economy, circularity index, sustainability, tannery industry, zero-waste

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1793 Gene Expression Meta-Analysis of Potential Shared and Unique Pathways Between Autoimmune Diseases Under anti-TNFα Therapy

Authors: Charalabos Antonatos, Mariza Panoutsopoulou, Georgios K. Georgakilas, Evangelos Evangelou, Yiannis Vasilopoulos

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The extended tissue damage and severe clinical outcomes of autoimmune diseases, accompanied by the high annual costs to the overall health care system, highlight the need for an efficient therapy. Increasing knowledge over the pathophysiology of specific chronic inflammatory diseases, namely Psoriasis (PsO), Inflammatory Bowel Diseases (IBD) consisting of Crohn’s disease (CD) and Ulcerative colitis (UC), and Rheumatoid Arthritis (RA), has provided insights into the underlying mechanisms that lead to the maintenance of the inflammation, such as Tumor Necrosis Factor alpha (TNF-α). Hence, the anti-TNFα biological agents pose as an ideal therapeutic approach. Despite the efficacy of anti-TNFα agents, several clinical trials have shown that 20-40% of patients do not respond to treatment. Nowadays, high-throughput technologies have been recruited in order to elucidate the complex interactions in multifactorial phenotypes, with the most ubiquitous ones referring to transcriptome quantification analyses. In this context, a random effects meta-analysis of available gene expression cDNA microarray datasets was performed between responders and non-responders to anti-TNFα therapy in patients with IBD, PsO, and RA. Publicly available datasets were systematically searched from inception to 10th of November 2020 and selected for further analysis if they assessed the response to anti-TNFα therapy with clinical score indexes from inflamed biopsies. Specifically, 4 IBD (79 responders/72 non-responders), 3 PsO (40 responders/11 non-responders) and 2 RA (16 responders/6 non-responders) datasetswere selected. After the separate pre-processing of each dataset, 4 separate meta-analyses were conducted; three disease-specific and a single combined meta-analysis on the disease-specific results. The MetaVolcano R package (v.1.8.0) was utilized for a random-effects meta-analysis through theRestricted Maximum Likelihood (RELM) method. The top 1% of the most consistently perturbed genes in the included datasets was highlighted through the TopConfects approach while maintaining a 5% False Discovery Rate (FDR). Genes were considered as Differentialy Expressed (DEGs) as those with P ≤ 0.05, |log2(FC)| ≥ log2(1.25) and perturbed in at least 75% of the included datasets. Over-representation analysis was performed using Gene Ontology and Reactome Pathways for both up- and down-regulated genes in all 4 performed meta-analyses. Protein-Protein interaction networks were also incorporated in the subsequentanalyses with STRING v11.5 and Cytoscape v3.9. Disease-specific meta-analyses detected multiple distinct pro-inflammatory and immune-related down-regulated genes for each disease, such asNFKBIA, IL36, and IRAK1, respectively. Pathway analyses revealed unique and shared pathways between each disease, such as Neutrophil Degranulation and Signaling by Interleukins. The combined meta-analysis unveiled 436 DEGs, 86 out of which were up- and 350 down-regulated, confirming the aforementioned shared pathways and genes, as well as uncovering genes that participate in anti-inflammatory pathways, namely IL-10 signaling. The identification of key biological pathways and regulatory elements is imperative for the accurate prediction of the patient’s response to biological drugs. Meta-analysis of such gene expression data could aid the challenging approach to unravel the complex interactions implicated in the response to anti-TNFα therapy in patients with PsO, IBD, and RA, as well as distinguish gene clusters and pathways that are altered through this heterogeneous phenotype.

Keywords: anti-TNFα, autoimmune, meta-analysis, microarrays

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1792 Effect of Ocimum americanum Water Extract on Antioxidant System in Rat

Authors: Pornrut Rabintossaporn, Suphaket Saenthaweesuk, Amornnat Thuppia, Nuntiya Somparn

Abstract:

Several dietary and herbal plants have been shown to possess cytoprotective and antioxidant effects with various mechanisms of action. The aim of this study was to determine the antioxidant effects and its mechanism of aqueous leaves extract of Ocimum americanum (OA), commonly known as American basil or 'hoary basil', in rat. The extract was screened for its phytochemical contents and antioxidant activity in vitro. Moreover, the extract was studied in rats to evaluate its effects in vivo. Rats were orally administered with the extract at the dose of 100, 200 and 400 mg/kg for 28 days. Phytochemical screening of plant extracts revealed the presence of alkaloid, cardiac glycosides, tannin and steroid compounds. The extract contained phenolic compounds 36.91 ± 0.66 mg of gallic acid equivalents per gram OA extract. The free radical scavenging activity assessed by DPPH assay gave IC50 of 41.27 ± 1.86 µg/mL, which is relatively lower than that of BHT with IC50 of 12.34 ± 1.14µg/mL. In the animals, the extract was well tolerated by the animals throughout the 28 days of study as shown by normal serum levels AST, ALP, ALT, BUN and Cr as well as normal histology of liver and pancreatic and kidney tissue. The protein expression of antioxidant enzymes, γ-glutamylcysteine ligase (γ-GCL) in liver was significantly increased compared with normal control. Consistent with the induction of γ-GCL protein expression significantly reduction of serum oxidative stress marker malondialdehyde (MDA) was found in rat treated with OA extract compared with control. Taken together, this study provides evidence that Ocimum americanum exhibits direct antioxidant properties and can induce cytoprotective enzyme in vivo.

Keywords: antioxidant, γ-glutamylcysteine ligase, MDA, Ocimum americanum

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1791 Fast Robust Switching Control Scheme for PWR-Type Nuclear Power Plants

Authors: Piyush V. Surjagade, Jiamei Deng, Paul Doney, S. R. Shimjith, A. John Arul

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In sophisticated and complex systems such as nuclear power plants, maintaining the system's stability in the presence of uncertainties and disturbances and obtaining a fast dynamic response are the most challenging problems. Thus, to ensure the satisfactory and safe operation of nuclear power plants, this work proposes a new fast, robust optimal switching control strategy for pressurized water reactor-type nuclear power plants. The proposed control strategy guarantees a substantial degree of robustness, fast dynamic response over the entire operational envelope, and optimal performance during the nominal operation of the plant. To improve the robustness, obtain a fast dynamic response, and make the system optimal, a bank of controllers is designed. Various controllers, like a baseline proportional-integral-derivative controller, an optimal linear quadratic Gaussian controller, and a robust adaptive L1 controller, are designed to perform distinct tasks in a specific situation. At any instant of time, the most suitable controller from the bank of controllers is selected using the switching logic unit that designates the controller by monitoring the health of the nuclear power plant or transients. The proposed switching control strategy optimizes the overall performance and increases operational safety and efficiency. Simulation studies have been performed considering various uncertainties and disturbances that demonstrate the applicability and effectiveness of the proposed switching control strategy over some conventional control techniques.

Keywords: switching control, robust control, optimal control, nuclear power control

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1790 Design and Modeling of Light Duty Trencher

Authors: Yegetaneh T. Dejenu, Delesa Kejela, Abdulak Alemu

Abstract:

From the earliest time of humankind, the trenches were used for water to flow along and for soldiers to hide in during enemy attacks. Now a day due to civilization, the needs of the human being become endless, and the living condition becomes sophisticated. The unbalance between the needs and resource obligates them to find the way to manage this condition. The attempt to use the scares resource in very efficient and effective way makes the trench an endeavor practice in the world in all countries. A trencher is a construction equipment used to dig trenches, especially for laying pipes or cables, installing drainage, irrigation, installing fencing, and in preparation for trench warfare. It is a machine used to make a ditch by cutting the soil ground and effectively used in agricultural irrigation. The most common types of trencher are wheel trencher, chain trencher, micro trencher, portable trencher. In Ethiopia people have been trenching the ditch for many purposes and the tools they are using are Pickaxe, Shovel and some are using Micro Excavators. The adverse effect of using traditional equipment is, time and energy consuming, less productive, difficult and more man power is required. Hence it is necessary to design and produce low price, and simple machine to narrow this gap. Our objective is to design and model a light duty trencher that is used for trenching the ground or soil for making ditch and used for agricultural, ground cabling, ground piping, and drainage system. The designed machine trenches, maximum of 1-meter depth, 30 cm width, and the required length. The working mechanism is fully hydraulic, and the engine with 12.7 hp will provide suitable power for the pump that delivers 23 l/min at 1500 rpm to drive hydraulic motors and actuators.

Keywords: hydraulics, modelling, trenching, ditch

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1789 A New Model to Perform Preliminary Evaluations of Complex Systems for the Production of Energy for Buildings: Case Study

Authors: Roberto de Lieto Vollaro, Emanuele de Lieto Vollaro, Gianluca Coltrinari

Abstract:

The building sector is responsible, in many industrialized countries, for about 40% of the total energy requirements, so it seems necessary to devote some efforts in this area in order to achieve a significant reduction of energy consumption and of greenhouse gases emissions. The paper presents a study aiming at providing a design methodology able to identify the best configuration of the system building/plant, from a technical, economic and environmentally point of view. Normally, the classical approach involves a building's energy loads analysis under steady state conditions, and subsequent selection of measures aimed at improving the energy performance, based on previous experience made by architects and engineers in the design team. Instead, the proposed approach uses a sequence of two well known scientifically validated calculation methods (TRNSYS and RETScreen), that allow quite a detailed feasibility analysis. To assess the validity of the calculation model, an existing, historical building in Central Italy, that will be the object of restoration and preservative redevelopment, was selected as a case-study. The building is made of a basement and three floors, with a total floor area of about 3,000 square meters. The first step has been the determination of the heating and cooling energy loads of the building in a dynamic regime by means of TRNSYS, which allows to simulate the real energy needs of the building in function of its use. Traditional methodologies, based as they are on steady-state conditions, cannot faithfully reproduce the effects of varying climatic conditions and of inertial properties of the structure. With TRNSYS it is possible to obtain quite accurate and reliable results, that allow to identify effective combinations building-HVAC system. The second step has consisted of using output data obtained with TRNSYS as input to the calculation model RETScreen, which enables to compare different system configurations from the energy, environmental and financial point of view, with an analysis of investment, and operation and maintenance costs, so allowing to determine the economic benefit of possible interventions. The classical methodology often leads to the choice of conventional plant systems, while RETScreen provides a financial-economic assessment for innovative energy systems and low environmental impact. Computational analysis can help in the design phase, particularly in the case of complex structures with centralized plant systems, by comparing the data returned by the calculation model RETScreen for different design options. For example, the analysis performed on the building, taken as a case study, found that the most suitable plant solution, taking into account technical, economic and environmental aspects, is the one based on a CCHP system (Combined Cooling, Heating, and Power) using an internal combustion engine.

Keywords: energy, system, building, cooling, electrical

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1788 Multilocal Youth and the Berlin Digital Industry: Productive Leisure as a Key Factor in European Migration

Authors: Stefano Pelaggi

Abstract:

The research is focused on youth labor and mobility in Berlin. Mobility has become a common denominator in our daily lives but it does not primarily move according to monetary incentives. Labor, knowledge and leisure overlap on this point as cities are trying to attract people who could participate in production of the innovations while the new migrants are experiencing the lifestyle of the host cities. The research will present the project of empirical study focused on Italian workers in the digital industry in Berlin, trying to underline the connection between pleasure, leisure with the choice of life abroad. Berlin has become the epicenter of the European Internet start-up scene, but people suitable to work for digital industries are not moving in Berlin to make a career, most of them are attracted to the city for different reasons. This point makes a clear exception to traditional migration flows, which are always originated from a specific search of employment opportunities or strong ties, usually families, in a place that could guarantee success in finding a job. Even the skilled migration has always been originated from a specific need, finding the right path for a successful professional life. In a society where the lack of free time in our calendar seems to be something to be ashamed, the actors of youth mobility incorporate some categories of experiential tourism within their own life path. Professional aspirations, lifestyle choices of the protagonists of youth mobility are geared towards meeting the desires and aspirations that define leisure. While most of creative work places, in particular digital industries, uses the category of fun as a primary element of corporate policy, virtually extending the time to work for the whole day; more and more people around the world are deciding their path in life, career choices on the basis of indicators linked to the realization of the self, which may include factors like a warm climate, cultural environment. All indicators that are usually eradicated from the hegemonic approach to labor. The interpretative framework commonly used seems to be mostly focused on a dualism between Florida's theories and those who highlight the absence of conflict in his studies. While the flexibility of the new creative industries is minimizing leisure, incorporating elements of leisure itself in work activities, more people choose their own path of life by placing great importance to basic needs, through a gaze on pleasure that is only partially driven by consumption. The multi localism is the co-existence of different identities and cultures that do not conflict because they reject the bind on territory. Local loses its strength of opposition to global, with an attenuation of the whole concept of citizenship, territory and even integration. A similar perspective could be useful to search a new approach to all the studies dedicated to the gentrification process, while studying the new migrations flow.

Keywords: brain drain, digital industry, leisure and gentrification, multi localism

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1787 The Influence of Cellulose Nanocrystal (CNC) on the Mechanical Properties and Workability of Oil Well Cement

Authors: Mohammad Reza Dousti, Yaman Boluk, Vivek Bindiganavile

Abstract:

Well cementing is one of the most crucial and important steps in any well completion. Oil well cement paste is employed to fill the annulus between the casing string and the well bore. However, since the cementing process takes place at the end of the drilling process, a satisfying and acceptable job may not be performed. During the cementing process, the cement paste must be pumped in the annulus, therefore concerns arise both in the workability and the flowability associated with the paste. On the other hand, the cement paste around the casing must demonstrate the adequate compressive strength in order to provide a suitable mechanical support for the casing and desirably prevent collapse of the formation. In this experimental study, the influence of cellulose nanocrystal particles on the workability, flowability and also mechanical properties of oil well cement paste has been investigated. The cementitious paste developed in this research is composed of water, class G oil well cement, bentonite and cellulose nanocrystals (CNC). Bentonite is used as a cross contamination component. Two method of testing were considered to understand the flow behavior of the samples: (1) a mini slump test and (2) a conventional flow table test were utilized to study the flowability of the cementitious paste under gravity and also under applied load (number of blows for the flow table test). Furthermore, the mechanical properties of hardened oil well cement paste dosed with CNC were assessed by performing a compression test on cylindrical specimens. Based on the findings in this study, the addition of CNC led to developing a more viscous cement paste with a reduced spread diameter. Also, by introducing a very small dosage of CNC particles (as an additive), a significant increase in the compressive strength of the oil well cement paste was observed.

Keywords: cellulose nanocrystal, cement workability, mechanical properties, oil well cement

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1786 Bio-Surfactant Production and Its Application in Microbial EOR

Authors: A. Rajesh Kanna, G. Suresh Kumar, Sathyanaryana N. Gummadi

Abstract:

There are various sources of energies available worldwide and among them, crude oil plays a vital role. Oil recovery is achieved using conventional primary and secondary recovery methods. In-order to recover the remaining residual oil, technologies like Enhanced Oil Recovery (EOR) are utilized which is also known as tertiary recovery. Among EOR, Microbial enhanced oil recovery (MEOR) is a technique which enables the improvement of oil recovery by injection of bio-surfactant produced by microorganisms. Bio-surfactant can retrieve unrecoverable oil from the cap rock which is held by high capillary force. Bio-surfactant is a surface active agent which can reduce the interfacial tension and reduce viscosity of oil and thereby oil can be recovered to the surface as the mobility of the oil is increased. Research in this area has shown promising results besides the method is echo-friendly and cost effective compared with other EOR techniques. In our research, on laboratory scale we produced bio-surfactant using the strain Pseudomonas putida (MTCC 2467) and injected into designed simple sand packed column which resembles actual petroleum reservoir. The experiment was conducted in order to determine the efficiency of produced bio-surfactant in oil recovery. The column was made of plastic material with 10 cm in length. The diameter was 2.5 cm. The column was packed with fine sand material. Sand was saturated with brine initially followed by oil saturation. Water flooding followed by bio-surfactant injection was done to determine the amount of oil recovered. Further, the injection of bio-surfactant volume was varied and checked how effectively oil recovery can be achieved. A comparative study was also done by injecting Triton X 100 which is one of the chemical surfactant. Since, bio-surfactant reduced surface and interfacial tension oil can be easily recovered from the porous sand packed column.

Keywords: bio-surfactant, bacteria, interfacial tension, sand column

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1785 Performance Comparison of Microcontroller-Based Optimum Controller for Fruit Drying System

Authors: Umar Salisu

Abstract:

This research presents the development of a hot air tomatoes drying system. To provide a more efficient and continuous temperature control, microcontroller-based optimal controller was developed. The system is based on a power control principle to achieve smooth power variations depending on a feedback temperature signal of the process. An LM35 temperature sensor and LM399 differential comparator were used to measure the temperature. The mathematical model of the system was developed and the optimal controller was designed and simulated and compared with the PID controller transient response. A controlled environment suitable for fruit drying is developed within a closed chamber and is a three step process. First, the infrared light is used internally to preheated the fruit to speedily remove the water content inside the fruit for fast drying. Second, hot air of a specified temperature is blown inside the chamber to maintain the humidity below a specified level and exhaust the humid air of the chamber. Third, the microcontroller disconnects the power to the chamber after the moisture content of the fruits is removed to minimal. Experiments were conducted with 1kg of fresh tomatoes at three different temperatures (40, 50 and 60 °C) at constant relative humidity of 30%RH. The results obtained indicate that the system is significantly reducing the drying time without affecting the quality of the fruits. In the context of temperature control, the results obtained showed that the response of the optimal controller has zero overshoot whereas the PID controller response overshoots to about 30% of the set-point. Another performance metric used is the rising time; the optimal controller rose without any delay while the PID controller delayed for more than 50s. It can be argued that the optimal controller performance is preferable than that of the PID controller since it does not overshoot and it starts in good time.

Keywords: drying, microcontroller, optimum controller, PID controller

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1784 Magnetohydrodynamic Flow of Viscoelastic Nanofluid and Heat Transfer over a Stretching Surface with Non-Uniform Heat Source/Sink and Non-Linear Radiation

Authors: Md. S. Ansari, S. S. Motsa

Abstract:

In this paper, an analysis has been made on the flow of non-Newtonian viscoelastic nanofluid over a linearly stretching sheet under the influence of uniform magnetic field. Heat transfer characteristics is analyzed taking into the effect of nonlinear radiation and non-uniform heat source/sink. Transport equations contain the simultaneous effects of Brownian motion and thermophoretic diffusion of nanoparticles. The relevant partial differential equations are non-dimensionalized and transformed into ordinary differential equations by using appropriate similarity transformations. The transformed, highly nonlinear, ordinary differential equations are solved by spectral local linearisation method. The numerical convergence, error and stability analysis of iteration schemes are presented. The effects of different controlling parameters, namely, radiation, space and temperature-dependent heat source/sink, Brownian motion, thermophoresis, viscoelastic, Lewis number and the magnetic force parameter on the flow field, heat transfer characteristics and nanoparticles concentration are examined. The present investigation has many industrial and engineering applications in the fields of coatings and suspensions, cooling of metallic plates, oils and grease, paper production, coal water or coal–oil slurries, heat exchangers’ technology, and materials’ processing and exploiting.

Keywords: magnetic field, nonlinear radiation, non-uniform heat source/sink, similar solution, spectral local linearisation method, Rosseland diffusion approximation

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1783 Failure of Agriculture Soil following the Passage of Tractors

Authors: Anis Eloud, Sayed Chehaibi

Abstract:

Compaction of agricultural soils as a result of the passage of heavy machinery on the fields is a problem that affects many agronomists and farmers since it results in a loss of yield of most crops. To remedy this, and raise the overall future of the food security challenge, we must study and understand the process of soil degradation. The present review is devoted to understanding the effect of repeated passages on agricultural land. The experiments were performed on a plot of the area of the ESIER, characterized by a clay texture in order to quantify the soil compaction caused by the wheels of the tractor during repeated passages on agricultural land. The test tractor CASE type puissance 110 hp and 5470 kg total mass of 3500 kg including the two rear axles and 1970 kg on the front axle. The state of soil compaction has been characterized by measuring its resistance to penetration by means of a penetrometer and direct manual reading, the density and permeability of the soil. Soil moisture was taken jointly. The measurements are made in the initial state before passing the tractor and after each pass varies from 1 to 7 on the track wheel inflated to 1.5 bar for the rear wheel and broke water to the level of valve and 4 bar for the front wheels. The passages are spaced to the average of one week. The results show that the passage of wheels on a farm tilled soil leads to compaction and the latter increases with the number of passages, especially for the upper 15 cm depth horizons. The first passage is characterized by the greatest effect. However, the effect of other passages do not follow a definite law for the complex behavior of granular media and the history of labor and the constraints it suffers from its formation.

Keywords: wheel traffic, tractor, soil compaction, wheel

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1782 High Titer Cellulosic Ethanol Production Achieved by Fed-Batch Prehydrolysis Simultaneous Enzymatic Saccharification and Fermentation of Sulfite Pretreated Softwood

Authors: Chengyu Dong, Shao-Yuan Leu

Abstract:

Cellulosic ethanol production from lignocellulosic biomass can reduce our reliance on fossil fuel, mitigate climate change, and stimulate rural economic development. The relative low ethanol production (60 g/L) limits the economic viable of lignocellulose-based biorefinery. The ethanol production can be increased up to 80 g/L by removing nearly all the non-cellulosic materials, while the capital of the pretreatment process increased significantly. In this study, a fed-batch prehydrolysis simultaneously saccharification and fermentation process (PSSF) was designed to converse the sulfite pretreated softwood (~30% residual lignin) to high concentrations of ethanol (80 g/L). The liquefaction time of hydrolysis process was shortened down to 24 h by employing the fed-batch strategy. Washing out the spent liquor with water could eliminate the inhibition of the pretreatment spent liquor. However, the ethanol yield of lignocellulose was reduced as the fermentable sugars were also lost during the process. Fed-batch prehydrolyzing the while slurry (i.e. liquid plus solid fraction) pretreated softwood for 24 h followed by simultaneously saccharification and fermentation process at 28 °C can generate 80 g/L ethanol production. Fed-batch strategy is very effectively to eliminate the “solid effect” of the high gravity saccharification, so concentrating the cellulose to nearly 90% by the pretreatment process is not a necessary step to get high ethanol production. Detoxification of the pretreatment spent liquor caused the loss of sugar and reduced the ethanol yield consequently. The tolerance of yeast to inhibitors was better at 28 °C, therefore, reducing the temperature of the following fermentation process is a simple and valid method to produce high ethanol production.

Keywords: cellulosic ethanol, sulfite pretreatment, Fed batch PSSF, temperature

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1781 Anti-Allergic Activities of Smilax Glabra Rhizome Extracts and Its Isolated Compounds

Authors: Arunporn Itharat, Kamonmas Srikwan, Srisopa Ruangnoo, Pakakrong Thongdeeying

Abstract:

Background: The rhizomes of Smilax glabra (SG) has long been used in Traditional Chinese and Thai herbal medicine to treat a variety of infectious diseases and immunological disorders. Objective: To investigate the in vitro anti-allergic activities of crude extracts and pure isolated flavonoid compounds from SG by determination of inhibitory effects on antigen-induced release of β-hexosaminidase from RBL-2H3 cells. Methods: The in vitro inhibitory effects of crude aqueous and organic extracts on beta-hexosaminidase release in RBL-2H3 cells were evaluated as an in vitro indication of possible anti-allergic activity in vivo. Bioassay-guided fractionation of extracts was used to isolate flavonoid compounds from the ethanolic extracts. Results: The 95% and 50% ethanolic extracts of SG showed remarkably high anti-allergic activity, with IC50 values of 5.74 ± 2.44 and 23.54 ± 4.75 μg/ml, much higher activity than that for Ketotifen (IC50 58.90 μM). The water extract had negligible activity (IC50 > 100 μg/ml). The two isolated flavonols, Engeletin and Astilbin, showed weak anti-allergic activity, IC50 values 97.46 ± 2.04 and > 100 μg/ml, respectively. Conclusions: The 95% and 50% ethanolic extracts of SG showed strong anti-allergic activity but two flavonol constituents did not show any significant anti-allergic activity. These findings suggest that a combination of effects of various phytochemicals in crude extracts used in traditional medicine are responsible for the purported anti-allergic activity of SG herbal preparations. The plethora of constituents in crude extracts, as yet unidentified, are likely to be acting synergistically to account for the strong observed anti-allergic in vitro activity.

Keywords: Smilax glabra, anti-allergic activity, RBL-2H3 cells, flavonoid compounds

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1780 Land-Use Suitability Analysis for Merauke Agriculture Estates

Authors: Sidharta Sahirman, Ardiansyah, Muhammad Rifan, Edy-Melmambessy

Abstract:

Merauke district in Papua, Indonesia has a strategic position and natural potential for the development of agricultural industry. The development of agriculture in this region is being accelerated as part of Indonesian Government’s declaration announcing Merauke as one of future national food barns. Therefore, land-use suitability analysis for Merauke need to be performed. As a result, the mapping for future agriculture-based industries can be done optimally. In this research, a case study is carried out in Semangga sub district. The objective of this study is to determine the suitability of Merauke land for some food crops. A modified agro-ecological zoning is applied to reach the objective. In this research, land cover based on satellite imagery is combined with soil, water and climate survey results to come up with preliminary zoning. Considering the special characteristics of Merauke community, the agricultural zoning maps resulted based on those inputs will be combined with socio-economic information and culture to determine the final zoning map for agricultural industry in Merauke. Examples of culture are customary rights of local residents and the rights of local people and their own local food patterns. This paper presents the results of first year of the two-year research project funded by The Indonesian Government through MP3EI schema. It shares the findings of land cover studies, the distribution of soil physical and chemical parameters, as well as suitability analysis of Semangga sub-district for five different food plants.

Keywords: agriculture, agro-ecological, Merauke, zoning

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1779 Monitoring Urban Green Space Cover Change Using GIS and Remote Sensing in Two Rapidly Urbanizing Cities, Debre Berhan and Debre Markos, Ethiopia

Authors: Alemaw Kefale, Aramde Fetene, Hayal Desta

Abstract:

Monitoring the amount of green space in urban areas is important for ensuring sustainable development and proper management. The study analyzed changes in urban green space coverage over the past 20 years in two rapidly urbanizing cities in Ethiopia, Debre Berhan and Debre Markos, using GIS and remote sensing. The researchers used Landsat 5 and 8 data with a spatial resolution of 30 m to determine different land use and land cover classes, including urban green spaces, barren and croplands, built-up areas, and water bodies. The classification accuracy ranged between 90% and 91.4%, with a Kappa Statistic of 0.85 to 0.88. The results showed that both cities experienced significant decreases in vegetation cover in their urban cores between 2000 and 2020, with radical changes observed from green spaces and croplands to built-up areas. In Debre Berhan, barren and croplands decreased by 32.96%, while built-up and green spaces increased by 357.9% and 37.4%, respectively, in 2020. In Debre Markos, built-up areas increased by 224.2%, while green spaces and barren and croplands decreased by 41% and 5.71%, respectively. The spatial structure of cities and planning policies were noticed as the major factors for big green cover change. Thus it has an implication for other rapidly urbanized cities in Africa and Asia. Overall, rapid urbanization threatens green spaces and agricultural areas, highlighting the need for ecological-based spatial planning in rapidly urbanizing cities.

Keywords: green space coverage, GIS and remote sensing, Landsat, LULC, Ethiopia

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1778 Membrane Permeability of Middle Molecules: A Computational Chemistry Approach

Authors: Sundaram Arulmozhiraja, Kanade Shimizu, Yuta Yamamoto, Satoshi Ichikawa, Maenaka Katsumi, Hiroaki Tokiwa

Abstract:

Drug discovery is shifting from small molecule based drugs targeting local active site to middle molecules (MM) targeting large, flat, and groove-shaped binding sites, for example, protein-protein interface because at least half of all targets assumed to be involved in human disease have been classified as “difficult to drug” with traditional small molecules. Hence, MMs such as peptides, natural products, glycans, nucleic acids with various high potent bioactivities become important targets for drug discovery programs in the recent years as they could be used for ‘undruggable” intracellular targets. Cell membrane permeability is one of the key properties of pharmacodynamically active MM drug compounds and so evaluating this property for the potential MMs is crucial. Computational prediction for cell membrane permeability of molecules is very challenging; however, recent advancement in the molecular dynamics simulations help to solve this issue partially. It is expected that MMs with high membrane permeability will enable drug discovery research to expand its borders towards intracellular targets. Further to understand the chemistry behind the permeability of MMs, it is necessary to investigate their conformational changes during the permeation through membrane and for that their interactions with the membrane field should be studied reliably because these interactions involve various non-bonding interactions such as hydrogen bonding, -stacking, charge-transfer, polarization dispersion, and non-classical weak hydrogen bonding. Therefore, parameters-based classical mechanics calculations are hardly sufficient to investigate these interactions rather, quantum mechanical (QM) calculations are essential. Fragment molecular orbital (FMO) method could be used for such purpose as it performs ab initio QM calculations by dividing the system into fragments. The present work is aimed to study the cell permeability of middle molecules using molecular dynamics simulations and FMO-QM calculations. For this purpose, a natural compound syringolin and its analogues were considered in this study. Molecular simulations were performed using NAMD and Gromacs programs with CHARMM force field. FMO calculations were performed using the PAICS program at the correlated Resolution-of-Identity second-order Moller Plesset (RI-MP2) level with the cc-pVDZ basis set. The simulations clearly show that while syringolin could not permeate the membrane, its selected analogues go through the medium in nano second scale. These correlates well with the existing experimental evidences that these syringolin analogues are membrane-permeable compounds. Further analyses indicate that intramolecular -stacking interactions in the syringolin analogues influenced their permeability positively. These intramolecular interactions reduce the polarity of these analogues so that they could permeate the lipophilic cell membrane. Conclusively, the cell membrane permeability of various middle molecules with potent bioactivities is efficiently studied using molecular dynamics simulations. Insight of this behavior is thoroughly investigated using FMO-QM calculations. Results obtained in the present study indicate that non-bonding intramolecular interactions such as hydrogen-bonding and -stacking along with the conformational flexibility of MMs are essential for amicable membrane permeation. These results are interesting and are nice example for this theoretical calculation approach that could be used to study the permeability of other middle molecules. This work was supported by Japan Agency for Medical Research and Development (AMED) under Grant Number 18ae0101047.

Keywords: fragment molecular orbital theory, membrane permeability, middle molecules, molecular dynamics simulation

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1777 Comprehensive Validation of High-Performance Liquid Chromatography-Diode Array Detection (HPLC-DAD) for Quantitative Assessment of Caffeic Acid in Phenolic Extracts from Olive Mill Wastewater

Authors: Layla El Gaini, Majdouline Belaqziz, Meriem Outaki, Mariam Minhaj

Abstract:

In this study, it introduce and validate a high-performance liquid chromatography method with diode-array detection (HPLC-DAD) specifically designed for the accurate quantification of caffeic acid in phenolic extracts obtained from olive mill wastewater. The separation process of caffeic acid was effectively achieved through the use of an Acclaim Polar Advantage column (5µm, 250x4.6mm). A meticulous multi-step gradient mobile phase was employed, comprising water acidified with phosphoric acid (pH 2.3) and acetonitrile, to ensure optimal separation. The diode-array detection was adeptly conducted within the UV–VIS spectrum, spanning a range of 200–800 nm, which facilitated precise analytical results. The method underwent comprehensive validation, addressing several essential analytical parameters, including specificity, repeatability, linearity, as well as the limits of detection and quantification, alongside measurement uncertainty. The generated linear standard curves displayed high correlation coefficients, underscoring the method's efficacy and consistency. This validated approach is not only robust but also demonstrates exceptional reliability for the focused analysis of caffeic acid within the intricate matrices of wastewater, thus offering significant potential for applications in environmental and analytical chemistry.

Keywords: high-performance liquid chromatography (HPLC-DAD), caffeic acid analysis, olive mill wastewater phenolics, analytical method validation

Procedia PDF Downloads 68