Search results for: variable density

Authors: Kgolagano Mpejane

Abstract:

The study applies a New Institutional Economics (NIE) analytical framework to trade in developing economies by assessing the impacts of institutional quality and institutional quality distance on agricultural trade using a panel data of 15 Southern African Development Community (SADC) countries from the years 1991-2010. The issue of institutions on agricultural trade has not been accorded the necessary attention in the literature, particularly in developing economies. Therefore, the paper empirically tests the gravity model of international trade by measuring the impact of political, economic and legal institutions on intra SADC agricultural trade. The gravity model is noted for its exploratory power and strong theoretical foundation. However, the model has statistical shortcomings in dealing with zero trade values and heteroscedasticity residuals leading to biased results. Therefore, this study employs a two stage Heckman selection model with a Probit equation to estimate the influence of institutions on agricultural trade. The selection stages include the inverse Mills ratio to account for the variable bias of the gravity model. The Heckman model accounts for zero trade values and is robust in the presence of heteroscedasticity. The empirical results of the study support the NIE theory premise that institutions matter in trade. The results demonstrate that institutions determine bilateral agricultural trade on different margins with political institutions having positive and significant influence on bilateral agricultural trade flows within the SADC region. Legal and economic institutions have significant and negative effects on SADC trade. Furthermore, the results of this study confirm that institutional quality distance influences agricultural trade. Legal and political institutional distance have a positive and significant influence on bilateral agricultural trade while the influence of economic, institutional quality is negative and insignificant. The results imply that nontrade barriers, in the form of institutional quality and institutional quality distance, are significant factors limiting intra SADC agricultural trade. Therefore, gains from intra SADC agricultural trade can be attained through the improvement of institutions within the region.

Keywords: agricultural trade, institutions, gravity model, SADC

Procedia PDF Downloads 133

Authors: H. H. Lee, D. Y. Kim, S. W. Lee, J. H. Kim, J. H. Kim, W. Z. Oh, S. J. Choi

Abstract:

In recent years, carbon nanotubes (CNTs) have been widely employed as a sorbent for the removal of various metal ions from water due to their unique properties such as large surface area, light mass density, high porous and hollow structure, and strong interaction between the pollutant molecules and CNTs. To apply CNTs to the sorption of Cs+ from aqueous solutions, they must first be functionalized to increase their hydrophilicity and therefore, enhance their applicability to the sorption of polar and relatively low-molecular-weight species. The objective of this study is to investigate the preparation of magnetically separable multi-walled carbon nanotubes (MWCNTs-m) as a sorbents for the removal of Cs+ from aqueous solutions. The MWCNTs-m was prepared using pristine MWCNTs and iron precursor Fe(acac)3. For the selective removal of Cs+ from aqueous solutions, the MWCNTs-m was functionalized with zinc hexacyanoferrate (MWCNTs-m-ZnFC). The physicochemical properties of the synthesized sorbents were characterized with various techniques, including transmission electron microscopy (TEM), specific surface area analysis, Fourier transform-infrared (FT-IR) spectroscopy, and vibrating-sample magnetometer. The MWCNTs-m-ZnFC was found to be easily separated from aqueous solutions by using magnetic field. The MWCNTs-m-ZnFC exhibited a high capacity for sorbing Cs+ from aqueous solutions because of their strong affinity for Cs+ and specific surface area. The sorption ability of the MWCNTs-m-ZnFC for Cs+ was maintained even in the presence of co-existing ions (Na+). Considering these results, the CNT-m-ZnFCs have great potential for use as an effective sorbent for the selective removal of radioactive Cs+ ions from aqueous solutions.

Keywords: multi-walled carbon nanotubes, magnetic materials, cesium, zinc hexacyanoferrate, sorption

Procedia PDF Downloads 306

Authors: Chien-Song Chyang

Abstract:

For a fluidized-bed combustion system, excess air ratio (EAR) and superficial velocity are major operating parameters affecting combustion behaviors, and these 2 factors are dependent variables since both fluidizing gas and combustion-supporting agent are air. EAR will change when superficial velocity alters, so that the effect of superficial velocity and/or EAR on combustion behaviors cannot be examined under a specific condition. When stage combustion is executed, one can discuss the effect of EAR under a certain specific superficial velocity, but the flow rate of secondary air and EAR are dependent. In order to investigate the effect of excess air ratio on the combustion behavior of a fluidized combustion system, the flue gas recirculation was adapted by the author in 2007. We can maintain a fixed flow rate of primary gas or secondary gas and change excess oxygen as an independent variable by adjusting the recirculated flue gas appropriately. In another word, we can investigate the effect of excess oxygen on the combustion behavior at a certain primary gas flow, or at a certain hydrodynamics conditions. This technique can be used at a lower turndown ratio to maintain the residual oxygen in the flue gas at a certain value. All the experiments were conducted in a pilot scale fluidized bed combustor. The fluidized bed combustor can be divided into four parts, i.e., windbox, distributor, combustion chamber, and freeboard. The combustion chamber with a cross-section of 0.8 m × 0.4 m was constructed of 6 mm carbon steel lined with 150 mm refractory to reduce heat loss. Above the combustion chamber, the freeboard is 0.64 m in inner diameter. A total of 27 tuyeres with orifices of 5 and 3 mm inside diameters mounted on a 6 mm stainless-steel plate were used as the gas distributor with an open-area-ratio of 0.52%. The Primary gas and secondary gas were fixed at 3 Nm3/min and 1 Nm3/min respectively. The bed temperature was controlled by three heat transfer tubes inserted into the bubbling bed zone. The experimental data shows that bed temperature, CO and NO emissions increase with the stoichiometric oxygen of the primary gas. NO emissions decrease with the stoichiometric oxygen of the primary. Compared with part of primary air substituted with nitrogen, a lower NO emission can be obtained while flue gas recirculation applies as part of primary air.

Keywords: fluidized bed combustion, flue gas circulation, NO emission, recycle

Procedia PDF Downloads 167

Authors: Davie G. Dave, Prisca H. Mugabe, Tonderai Mutibvu

Abstract:

Globally, HWCs are on the rise. Such is the case with urban areas in Zimbabwe, yet little has been documented about it. This study was done to provide insights into the occurrence of human-wildlife conflicts in urban areas. The study was carried out in Harare, Bindura, Masvingo, Beitbridge, and Chiredzi to determine the cause, nature, extent, and frequency of occurrence of HWC, to determine the key wildlife species involved in conflicts and management practices done to combat wildlife conflicts in these areas. Several sampling techniques encompassing multi-stage sampling, stratified random, purposive, and simple random sampling were employed for placing residential areas into three strata according to population density, selecting residential areas, and selecting actual participants. Data were collected through a semi-structured questionnaire and key informant interviews. The results revealed that property destruction and crop damage were the most prevalent conflicts. Of the 15 animals that were cited, snakes, baboons, and monkeys were associated with the most conflicts. The occurrence of HWCs was mainly attributed to the increase in both animal and human populations. To curtail these HWCs, the local people mainly used non-lethal methods, whilst lethal methods were used by authorities for some of the reported cases. The majority of the conflicts were seasonal and less severe. There were growing concerns by respondents on the issues of wildlife conflicts, especially in those areas that had primates, such as Warren Park in Harare and Limpopo View in Beitbridge. There are HWCs hotspots in urban areas, and to ameliorate this, suggestions are that there is a need for a multi-action approach that includes general awareness campaigns on HWCs and land use planning that involves the creation of green spaces to ease wildlife management.

Keywords: human-wildlife conflicts, mitigation measures, residential areas, types of conflicts, urban areas

Procedia PDF Downloads 44

Authors: Vigen Barkhudaryan

Abstract:

The influence of external effects (γ-, UV–radiations, high temperature) in presence of air oxygen on structural transformations of low-density polyethylene (LDPE) have been investigated dependent on the polymers’ thickness, the intensity and the dose of external actions. The methods of viscosimetry, light scattering, turbidimetry and gelation measuring were used for this purpose. The comparison of influence of external effects on LDPE shows, that the destruction and cross-linking processes of macromolecules proceed simultaneously with all kinds of external effects. A remarkable growth of average molecular mass of LDPE along with the irradiation doses and heat treatment exposure growth was established. It was linear for the mass average molecular mass and at the initial doses is mainly the result of the increase of the macromolecular branching. As a result, the macromolecular hydrodynamic volumes have been changed, and therefore the dependence of viscosity average molecular mass on the doses was going through the minimum at initial doses. A significant change of molecular mass, sizes and shape of macromolecules of LDPE occurs under the influence of external effects. The influence is limited only by diffusion of oxygen during -irradiation and heat treatment. At UV–irradiation the influence is limited both by diffusion of oxygen and penetration of radiation. Consequently, the molecular transformations are deeper and evident in case of -irradiation, as soon as the polymer is transformed in a whole volume. It was also established, that the mechanism of molecular transformations in polymers from the surface layer distinctly differs from those of the sample deeper layer. A comparison of the results of these investigations allows us to conclude, that the mechanisms of influence of investigated external effects on polyethylene are similar.

Keywords: cross-linking, destruction, high temperature, LDPE, γ-radiations, UV-radiations

Procedia PDF Downloads 299

Authors: Sreeparna Majee, G. C. Shit

Abstract:

A study on targeted drug delivery is carried out in an unsteady flow of blood infused with magnetic NPs (nanoparticles) with an aim to understand the flow pattern and nanoparticle aggregation in a diseased arterial segment having stenosis. The magnetic NPs are supervised by the magnetic field which is significant for therapeutic treatment of arterial diseases, tumor and cancer cells and removing blood clots. Coupled thermal energy have also been analyzed by considering dissipation of energy because of the application of the magnetic field and the viscosity of blood. Simulation technique used to solve the mathematical model is vorticity-stream function formulations in the diseased artery. An elevation in SLP (Specific loss power) is noted in the aortic bloodstream when the agglomeration of nanoparticles is higher. This phenomenon has potential application in the treatment of hyperthermia. The study focuses on the lowering of WSS (Wall Shear Stress) with increasing particle concentration at the downstream of the stenosis which depicts the vigorous flow circulation zone. These low shear stress regions prolong the residing time of the nanoparticles carrying drugs which soaks up the LDL (Low Density Lipoprotein) deposition. Moreover, an increase in NP concentration enhances the Nusselt number which marks the increase of heat transfer from the arterial wall to the surrounding tissues to destroy tumor and cancer cells without affecting the healthy cells. The results have a significant influence in the study of medicine, to treat arterial diseases such as atherosclerosis without the need for surgery which can minimize the expenditures on cardiovascular treatments.

Keywords: magnetic nanoparticles, blood flow, atherosclerosis, hyperthermia

Procedia PDF Downloads 117

Authors: Diego Cruz, Helbert Arevalo, Diana Vernot

Abstract:

In 2013, the Food and Agriculture Organization of the United Nations (FAO) said that insect production for food and feed could become an economic opportunity for rural women in developing countries. However, since then, just a few initiatives worldwide had tried to implement this kind of project in zones of tropical countries without previous experience in cricket production and insect human consumption, such as Colombia. In this project, ArthroFood company and the University of La Sabana join efforts to make a holistic multi-perspective analysis from biological, economic, culinary, and social sides of the Gryllodes sigillatus production by rural women of the municipality of La Mesa, Cundinamarca, Colombia. From a biological and economic perspective, G. sigillatus production in a 60m2 greenhouse was evaluated considering the effect of rearing density and substrates on final weight and length, developing time, survival rate, and proximate composition. Additionally, the production cost and labor hours were recorded for five months. On the other hand, from a socio- economic side, the intention of the rural women to implement cricket farms or micro-entrepreneurship around insect production was evaluated after developing ethnographies and empowerment, entrepreneurship, and cricket production workshops. Finally, the results of the elaboration of culinary recipes with cricket powder incorporating cultural aspects of the context of La Mesa, Cundinamarca, will be presented. This project represents Colombia's first attempt to create a social business model of cricket production involving rural women, academies, the private sector, and local authorities.

Keywords: cricket production, developing country, edible insects, entrepreneurship, insect culinary recipes

Procedia PDF Downloads 85

Authors: R. Lhissou , A. El Harti , K. Chokmani, E. Bachaoui, A. El Ghmari

Abstract:

Soil salinity is a serious environmental hazard in many countries around the world especially the arid and semi-arid countries like Morocco. Salinization causes negative effects on the ground; it affects agricultural production, infrastructure, water resources and biodiversity. Remote sensing can provide soil salinity information for large areas, and in a relatively short time. In addition, remote sensing is not limited by extremes in terrain or hazardous condition. Contrariwise, experimental methods for monitoring soil salinity by direct measurements in situ are very demanding of time and resources, and also very limited in spatial coverage. In the irrigated perimeter of Tadla plain in central Morocco, the increased use of saline groundwater and surface water, coupled with agricultural intensification leads to the deterioration of soil quality especially by salinization. In this study, we assessed several spectral indices of soil salinity cited in the literature using Landsat TM satellite images and field measurements of electrical conductivity (EC). Three Landsat TM satellite images were taken during 3 months in the dry season (September, October and November 2011). Based on field measurement data of EC collected in three field campaigns over the three dates simultaneously with acquisition dates of Landsat TM satellite images, a two assessment techniques are used to validate a soil salinity spectral indices. Firstly, the spectral indices are validated locally by pixel. The second validation technique is made using a window of size 3x3 pixels. The results of the study indicated that the second technique provides getting a more accurate validation and the assessment has shown its limits when it comes to assess across the pixel. In addition, the EC values measured from field have a good correlation with some spectral indices derived from Landsat TM data and the best results show an r² of 0.88, 0.79 and 0.65 for Salinity Index (SI) in the three dates respectively. The results have shown the usefulness of spectral indices as an auxiliary variable in the spatial estimation and mapping salinity in irrigated land.

Keywords: remote sensing, spectral indices, soil salinity, irrigated land

Procedia PDF Downloads 368

Authors: Aschenaki Zerihun Kea, Bernt Lindtjorn, Achamyelesh Gebretsadik, Sven Gudmund Hinderaker

Abstract:

Introduction: Maternal mortality studies conducted at the national level do not provide the information needed for planning and monitoring health programs at lower administrative levels. The aim of this study was to measure maternal mortality, identify risk factors and district-level variations in Sidama National Regional State, southern Ethiopia. Methods: A cross sectional population-based survey was carried out in households where women reported pregnancy and birth outcomes in the past five years. The study was conducted in the Sidama National Regional State, southern Ethiopia, from July 2019 to May 2020. Multi-stage cluster sampling technique was employed. The outcome variable of the study was maternal mortality. Complex sample logistic regression analysis was applied to assess variables independently associated with maternal mortality. Results: We registered 10602 live births (LB) and 48 maternal deaths, yielding an overall maternal mortality ratio (MMR) of 419; 95% CI: 260-577 per 100,000 LB. Aroresa district had the highest MMR with 1142 (95% CI: 693-1591) per 100,000 LB. Leading causes of death were haemorrhage 21 (41%) and eclampsia 10 (27%). Thirty (59%) mothers died during labour, or within 24 hours after delivery, 25 (47%) died at home and 17 (38%) at a health facility. Mothers who did not have formal education had a higher risk of maternal death (AOR: 4.4; 95% CI: 1.7 – 11.0). The risk of maternal death was higher in districts with a low midwife-to-population ratio (AOR: 2.9; 95% CI: 1.0-8.9). Conclusion: The high maternal mortality with district-level variations in Sidama Region highlights the importance of improving obstetric care and employing targeted interventions in areas with high mortality rates. Due attention should be given to improving access to female education. Additional midwives have to be trained and deployed to improve maternal health services and consequently save the lives of mothers.

Keywords: maternal mortality variation, maternal death, Sidama, Ethiopia

Procedia PDF Downloads 48

Authors: Gashaw Abebaw

Abstract:

Concrete usage in Ethiopia is expanding at a faster rate than before. Cement is the most important and costly ingredient in this respect. The construction industry is currently challenged by cement scarcity and stock market inflation. Scholars' trays, on the other hand, will use natural pozzolan material to substitute cement. Apart from that, Metakaolin has pozzolanic characteristics. According to the industrial mineral occurrence map, Ethiopia kaolin may be found in abundance. Some of them include Debretabor, so it is good to utilize Metakaolin as cement replacement material. In this study, the capability of Ethiopian Metakaolin as a partial substitute for cement in C-25 concrete production with 0%, 5%, 10%, 15%, and 20% replacement of PPC by MA with 0.49 percent water to cement ratio is investigated. The study examines; the chemical properties of MA, Physical properties of cement paste, workability, compressive strength, water absorption, density and sulfate attack of concrete was investigated. The chemical composition of Metakaolin was examined and the summation of SiO₂, AlO₃, and FeO₃ is 86.25% and the ash was classified class N pozzolan. The normal consistency percent of water increases as the MA replacement amount increase and both initial and final setting time rang increase as the MA replacement amount increase. On the 28th day, the compressive strength of concrete with MA replacement of 5%, 10%, and 15% exceeds the goal mean strength (33.5Mpa) with compressive strength enhancements of 2.23 %, 4.05 %, and 2.23 %, respectively. Similarly, on the 56th day, 5 %, 10%, and 15% replacement enhance concrete strength by 2.06 %, 3.06 %, and 1.2 %, respectively. The MA mixed concrete has improved significantly in terms of water absorption and sulphate attack, with a 15% replacement level. MA content Metakaolin could possibly replace cement up to 15%, according to the studies. The study's findings will help to offset cement price increases while also boosting house affordability without significantly degrading.

Keywords: metakaolin, compressive strength, sulphate attack, water absorption, N pozzolan

Procedia PDF Downloads 98

Authors: Mirko Ante, Şeniz Sörgel, Andreas Bund

Abstract:

Li-S- (Lithium-Sulfur-) battery systems provide very high specific gravimetric energy (2600 Wh/kg) and volumetric energy density (2800Wh/l). Hence, Li-S batteries are one of the key technologies for both the upcoming electromobility and stationary applications. Furthermore, the Li-S battery system is potentially cheap and environmentally benign. However, the technical implementation suffers from cycling stability, low charge and discharge rates and incomplete understanding of the complex polysulfide reaction mechanism. The aim of this work is to develop an effective electrocatalyst for the polysulfide reactions so that the electrode kinetics of the sulfur half-cell will be improved. Accordingly, the overvoltage will be decreased, and the efficiency of the cell will be increased. An enhanced electroactive surface additionally improves the charge and discharge rates. To reach this goal, functionalized electrocatalytic coatings are investigated to accelerate the kinetics of the polysulfide reactions. In order to determine a suitable electrocatalyst, apparent exchange current densities of a variety of materials (Ni, Co, Pt, Cr, Al, Cu, ITO, stainless steel) have been evaluated in a polysulfide containing electrolyte by potentiodynamic measurements and a Butler-Volmer fit including diffusion limitation. The samples have been examined by Scanning Electron Microscopy (SEM) after the potentiodynamic measurements. Up to now, our work shows that cobalt is a promising material with good electrocatalytic properties for the polysulfide reactions and good chemical stability in the system. Furthermore, an electrodeposition from a modified Watt’s nickel electrolyte with a sulfur source seems to provide an autocatalytic effect, but the electrocatalytic behavior decreases after several cycles of the current-potential-curve.

Keywords: electrocatalyst, energy storage, lithium sulfur battery, sulfur electrode materials

Procedia PDF Downloads 344

Authors: Shadia Al-Bahlani, Ruqaya Al-Rashdi, Shadia Al-Sinawi, Maya Al-Bahri

Abstract:

Background: Breast cancer is the most common cancer in women worldwide. Triple-negative breast cancer (TNBC) is an aggressive type of breast cancer, which is defined by the absence of Estrogen (ER), Progesterone (PR) and Human epidermal growth factor (Her-2) receptors. The calpain system plays an important role in many cellular processes including apoptosis, necrosis, cell signaling and proliferation. The role of clapins in pathogenesis and tumor progression has been studied in certain cancer types; however, its definite role is not yet established in breast cancer especially in the TNBC subtype. Objectives: This study aims to measure calpain-1 expression and correlate this measurement with the proliferating/apoptotic index as well with the prognostic factors in TNBC patients’ tissue. Materials and Methods: Thirty nine paraffin blocks from patients diagnosed with TNBC were used to measure the expression of calpain-1 and Ki-67 (proliferating marker) proteins using immunohistochemistry. Apoptosis was assessed morphological and biochemically using conventional Haematoxylin and Eosin (H&E) staining method and terminal deoxynucleotidyl transferase-mediate dUTP nick and labeling (TUNEL) assay respectively. Data was statistically analyzed using Pearson X2 test of association. Results: Calpain-1 content was visualized in the nucleus of the TNBC cells and its expression varied from low to high among the patients tissue. Calpain expression showed no significant correlation with the proliferating/apoptotic index as well with the clinicopathological variables. Apoptotic counts quantified by H&E staining showed significant association with the apoptotic TUNEL assay, validating both approaches. Conclusion: Although calpain-1 expression showed no significant association with the clinical outcome, its variable level of expression might indicate a hidden role in breast cancer tissue. Larger number of samples and different mode of assessments are needed to fully investigate such role. Exploring the involvement of calpain-1 in cancer progression might help in considering it as a biomarker of breast cancer.

Keywords: breast cancer, calpain, apoptosis, prognosis

Procedia PDF Downloads 424

Authors: David Guillermo Piedrahita Marquez, Hector Suarez Mahecha, Jairo Humberto Lopez

Abstract:

The propolis are substances obtained from the beehive have an action against pathogens, prooxidant substances and free radicals because of its polyphenols content, this has motivated the use of these compounds in the food and pharmaceutical industries. However, due to their organoleptic properties and their ability to react with other compounds, their application has been limited; therefore, the objective of this research was to propose a mechanism to protect propolis and mitigate side effects granted by its components. To achieve the stated purpose ethanolic extracts of propolis (EEP) from three samples from Santander were obtained and their antioxidant and antimicrobial activity were evaluated in order to choose the extract with the biggest potential. Subsequently mixtures of the extract with maltodextrin were prepared by spray drying varying concentration and temperature, finally the yield, the physicochemical, and antioxidant properties of the products were measured. It was concluded that Socorro propolis was the best for the production of microencapsulated due to their activity against pathogenic strains, for its large percentage of DPPH radical inactivation and for its high phenolic content. In spray drying, the concentration of bioactive had a greater impact than temperature and the conditions set allowed a good performance and the production of particles with high antioxidant potential and little chance of proliferation of microorganisms. Also, it was concluded that the best conditions that allowed us to obtain the best particles were obtained after drying a mixture 1:2 ( EEP: Maltodextrin), besides the concentration is the most important variable in the spray drying process, at the end we obtained particles of different sizes and shape and the uniformity of the surface depend on the temperature. After watching the previously mentioned microparticles by scanning electron microscopy (SEM) it was concluded that most of the particles produced during the spray dry process had a spherical shape and presented agglomerations due to the moisture content of the ethanolic extracts of propolis (EEP), the morphology of the microparticles contributed to the stability of the final product and reduce the loss of total phenolic content.

Keywords: spray drying, propolis, maltodextrin, encapsulation, scanning electron microscopy

Procedia PDF Downloads 272

Authors: Shanorfizah Mohd Safar, Shaizatulaqma Kamalul Ariffin

Abstract:

Internationalization of halal small and medium-sized enterprises (SMEs) is necessary for SMEs to become more involved in regional trade and business cooperation. By internationalization, SMEs' profit can increase, and market expansion of SMEs is basic for rising economies of countries to contend all around in the halal industry globally. There are several modes of internationalization; exporting is one of the first steps for internationalization with less capital needed. The study examines the influential factors of export performance amongst halal SMEs in Malaysia. Specifically, this study examines the positive and significant relationships amongst human capital, managerial capability, Halal Assurance Management System (HAMS), digital transformation, government support, and networking capability on halal SMEs' export performance toward SMEs' competitive advantage. In addition, this study will examine innovation capabilities as a moderator in the relationship between independence variables and competitive advantage. Competitive advantage is the most compelling perspective that drives the export performance of halal SMEs in Malaysia. A quantitative method will be used: an online questionnaire survey distributed through emails and face-to-face toward selected halal-certificated SMEs registered in JAKIM, MATRADE website and SME Corp Malaysia website. Nevertheless, whether the halal SMEs practice global business, they will still be the potential respondents. The data were examined and obtained using the statistical software Smart PLS. The analysis used is reliability, correlation, and regression analysis to meet the research objectives. This study contributes significantly to the theory by integrating Resource Based View (RBV) theory, Technology–Organization–Environment (TOE) framework and Networking theory. In addition, this research extends the RBV by extending a variable, the Halal Assurance Management System. This study also examines a moderating role of innovation capabilities in the framework and competitive advantage as a mediator. This research aims to analyze the factors that will impact the internationalization of halal SMEs.

Keywords: internationalization, halal SMEs, competitive advantage, export performance

Procedia PDF Downloads 52

Authors: Xinxin Ma, Guangze Tang, Shuxin Yang, Jinguang He, Fan Zhang, Peiling Sun, Ming Liu, Minyu Sun, Liqin Wang

Abstract:

As a traditional surface hardening technique, shot peening is widely used in industry. By using shot peening, a residual compressive stress is formed in the surface which is beneficial for improving the fatigue life of metal materials. At the same time, very fine grains and high density defects are generated in the surface layer which enhances the surface hardness, either. However, most of the processes are carried out at room temperature. For high strength steel, such as M50, the thickness of the strengthen layer is limited. In order to obtain a thick strengthen surface layer, elevated temperature shot peening was carried out in this work by using Φ1mm cast ion balls with a speed of 80m/s. Considering the tempering temperature of M50 steel is about 550 oC, the processing temperature was in the range from 300 to 500 oC. The effect of processing temperature and processing time of shot peening on distribution of residual stress and surface hardness was investigated. As we known, the working temperature of M50 steel can be as high as 315 oC. Because the defects formed by shot peening are unstable when the working temperature goes higher, it is worthy to understand what happens during the shot peening process, and what happens when the strengthen samples were kept at a certain temperature. In our work, the shot peening time was selected from 2 to 10 min. And after the strengthening process, the samples were annealed at various temperatures from 200 to 500 oC up to 60 h. The results show that the maximum residual compressive stress is near 900 MPa. Compared with room temperature shot peening, the strengthening depth of 500 oC shot peening sample is about 2 times deep. The surface hardness increased with the processing temperature, and the saturation peening time decreases. After annealing, the residual compressive stress decreases, however, for 500 oC peening sample, even annealing at 500 oC for 20 h, the residual compressive stress is still over 600 MPa. However, it is clean to see from SEM that the grain size of surface layers is still very small.

Keywords: shot peening, M50 steel, residual compressive stress, elevated temperature

Procedia PDF Downloads 429

Authors: Muhammad Saeed, Nazeer Ahmed, Mukhtar Alam, Fazli Subhan, Muhammad Adnan, Fazli Wahid, Hidayat Ullah, Rafiullah

Abstract:

The present experiment evaluated different synthetic insecticides against Jassid (Amrasca devastations) on pea crop at Agriculture Research Institute Tarnab, Peshawar Khyber Pakhtunkhwa. The field was prepared to cultivate okra crop in Randomized Complete Block (RCB) Design having six treatments with four replications. Plant to plant and row to row distance was kept at 15 cm and 30 cm, respectively. Pre and post spray data were recorded randomly from the top, middle and bottom leaves of five selected plants. Five synthetic insecticides, namely Confidor (Proponil), a neonicotinoid insecticide, Chlorpyrifos (chlorinated organophosphate (OP) insecticide), Lazer (dinitroaniline) (Pendimethaline), Imidacloprid (neonicotinoids insecticide) and Thiodan (Endosulfan, organochlorine insecticide), were used against infestation of aphids, pea pod borer, stem fly, leaf minor and pea weevil. Each synthetic insecticide showed significantly more effectiveness than control (untreated plots) but was non-significant among each other. The lowest population density was recorded in the plot treated with synthetic insecticide i.e. Confidor (0.6175 liter.ha-1) (4.24 aphids plant⁻¹) which is followed by Imidacloprid (0.6175 liter.ha⁻¹) (4.64 pea pod borer plant⁻¹), Thiodan (1.729 liter.ha⁻¹) (4.78 leaf minor plant⁻¹), Lazer (2.47 liter.ha-1) (4.91 pea weevil plant⁻¹), Chlorpyrifos (1.86 liter.ha⁻¹) (5.11 stem fly plant⁻¹), respectively while the highest population was recorded from the control plot. It is concluded from the data that the residual effect decreases with time after the application of spray, which may be less dangerous to the environment and human beings and can effectively manage this dread.

Keywords: okra crop, jassids, Confidor, imidacloprid, chlorpyrifos, laser, Thiodan

Procedia PDF Downloads 51

Authors: Seung-Min Yang, Seong-Han Park, Sang-Hoon Lee, Seung-Wan Yoo, Chan-Soo Kim, Nong-Moon Hwang

Abstract:

The theory of charged nanoparticles suggested that in many Chemical Vapour Depositions (CVD) processes, Charged Nanoparticles (CNPs) are generated in the gas-phase and become a building block of thin films and nanowires. Recently, the nanoparticle-based crystallization has become a big issue since the growth of nanorods or crystals by the building block of nanoparticles was directly observed by transmission electron microscopy observations in the liquid cell. In an effort to confirm charged gas-phase nuclei, that might be generated under conventional processing conditions of thin films and nanowires during CVD, we performed an in-situ measurement using differential mobility analyser and particle beam mass spectrometer. The size distribution and number density of CNPs were affected by process parameters such as precursor flow rate and working temperature. It was shown that many films and nanostructures, which have been believed to grow by individual atoms or molecules, actually grow by the building blocks of such charged nuclei. The electrostatic interaction between CNPs and the growing surface induces the self-assembly into films and nanowires. In addition, the charge-enhanced atomic diffusion makes CNPs liquid-like quasi solid. As a result, CNPs tend to land epitaxial on the growing surface, which results in the growth of single crystalline nanowires with a smooth surface.

Keywords: chemical vapour deposition, charged nanoparticle, electrostatic force, nanostructure evolution, differential mobility analyser, particle beam mass spectrometer

Procedia PDF Downloads 427

Authors: Modi M. Ahmed, Noor Al-Dousari, Ali M. Al-Dousari

Abstract:

Cornulaca aucheri is an annual herb consider as disturbance indicator currently visible and widely distributed in disturbed lands in Liyah area. Such area is suffered from severe land degradation due to multiple interacting factors such as, overgrazing, gravel and sand quarrying, military activities and natural process. The restoration program is applied after refilled quarries sites and levelled the surface irregularities in order to rehabilitate the natural vegetation and wildlife to its original shape. During the past 10 years of rehabilitation, noticeable greenery healthy cover of Cornulaca sp. are shown specially around artificial lake and playas. The existence of such species in high density it means that restoration program has succeeded and transit from bare ground state to Cornulaca and annual forb state. This state is lower state of Range State Transition Succession model, but it is better than bare soil. Cornulaca spp is native desert plant grows in arid conditions on sandy, stony ground, near oasis, on sand dunes and in sandy depressions. The sheep and goats are repulsive of it. Despite its spiny leaves, it provides good grazing for camels and is said to increase the milk supply produced by lactating females. It is about 80 cm tall and has stems that branched from the base with new faster greenery growth in the summer. It shows good environmental potential to be managed as natural types used for the restoration of degraded lands in desert areas.

Keywords: land degradation, range state transition succession model, rehabilitation, restoration program

Procedia PDF Downloads 336

Authors: Pranas Baltrėnas, Dainius Paliulis

Abstract:

Cyclones are widely used for separating particles from gas in energy production objects. Efficiency of normal centrifugal air cleaning devices ranges from 85 to 90%, but weakness of many cyclones is low collection efficiency of particles less than 10 μm in diameter. Many factors have impact on cyclone efficiency – humidity, temperature, gas (air) composition, airflow velocity and etc. Many scientists evaluated only effect of origin and size of PM on cyclone efficiency. Effect of gas (air) composition and temperature on cyclone efficiency still demands contributions. Complex experimental research on efficiency of cylindrical eight-channel system with adjustable half-rings for removing fine dispersive particles (< 20 μm) was carried out. The impact of gaseous smoke components on removal of wood ashes was analyzed. Gaseous components, present in the smoke mixture, with the dynamic viscosity lower than that of same temperature air, decrease the d50 value, simultaneously increasing the overall particulate matter removal efficiency in the cyclone, i.e. this effect is attributed to CO2 and CO, while O2 and NO have the opposite effect. Air temperature influences the d50 value, an increase in air temperature yields an increase in d50 value, i.e. the overall particulate matter removal efficiency declines, the reason for this being an increasing dynamic air viscosity. At 120 °C temperature the d50 value is approximately 11.8 % higher than at air temperature of 20 °C. With an increase in smoke (gas) temperature from 20 °C to 50 °C, the aerodynamic resistance in a 1-tier eight-channel cylindrical cyclone drops from 1605 to 1380 Pa, from 1660 to 1420 Pa in a 2-tier eight-channel cylindrical cyclone, from 1715 to 1450 Pa in a 3-tier eight-channel cylindrical cyclone. The reason for a decline in aerodynamic resistance is the declining gas density. The aim of the paper is to analyze the impact of gaseous smoke components on the eight–channel cyclone with tangential inlet.

Keywords: cyclone, adjustable half-rings, particulate matter, efficiency, gaseous compounds, smoke

Procedia PDF Downloads 271

Authors: Henrique Fernandes, Sofia Catalucci, Richard Leach, Kapil Sugand

Abstract:

Background: Holograms are 3D images formed by the interference of light beams from a laser or other coherent light source. Pepper’s ghost is a form of hologram conceptualised in the 18th century. This Holographic visualisation with metrology measuring techniques by displaying measurements taken in real-time in holographic form can assist in research and education. New structural designs such as the Plexiglass Stand and the Hologram Box can optimise the holographic experience. Method: The equipment used included: (i) Zeiss’s ATOS Core 300 optical coordinate measuring instrument that scanned real-world objects; (ii) Cloud Compare, open-source software used for point cloud processing; and (iii) Hologram Box, designed and manufactured during this research to provide the blackout environment needed to display 3D point clouds in real-time measurements in holographic format, in addition to a portability aspect to holograms. The equipment was tailored to realise the goal of displaying measurements in an innovative technique and to improve on conventional methods. Three test scans were completed before doing a holographic conversion. Results: The outcome was a precise recreation of the original object in the holographic form presented with dense point clouds and surface density features in a colour map. Conclusion: This work establishes a way to visualise data in a point cloud system. To our understanding, this is a work that has never been attempted. This achievement provides an advancement in holographic visualisation. The Hologram Box could be used as a feedback tool for measurement quality control and verification in future smart factories.

Keywords: holography, 3D scans, hologram box, metrology, point cloud

Procedia PDF Downloads 64

Authors: C. Malça, P. Gonçalves, N. Alves, A. Mateus

Abstract:

Regardless of the manufacturing process used, subtractive or additive, material, purpose and application, produced components are conventionally solid mass with more or less complex shape depending on the production technology selected. Aspects such as reducing the weight of components, associated with the low volume of material required and the almost non-existent material waste, speed and flexibility of production and, primarily, a high mechanical strength combined with high structural performance, are competitive advantages in any industrial sector, from automotive, molds, aviation, aerospace, construction, pharmaceuticals, medicine and more recently in human tissue engineering. Such features, properties and functionalities are attained in metal components produced using the additive technique of Rapid Prototyping from metal powders commonly known as Selective Laser Melting (SLM), with optimized internal topologies and varying densities. In order to produce components with high strength and high structural and functional performance, regardless of the type of application, three different internal topologies were developed and analyzed using numerical computational tools. The developed topologies were numerically submitted to mechanical compression and four point bending testing. Finite Element Analysis results demonstrate how different internal topologies can contribute to improve mechanical properties, even with a high degree of porosity relatively to fully dense components. Results are very promising not only from the point of view of mechanical resistance, but especially through the achievement of considerable variation in density without loss of structural and functional high performance.

Keywords: additive manufacturing, internal topologies, porosity, rapid prototyping, selective laser melting

Procedia PDF Downloads 315

Authors: Morteza Elsa, Amirhossein Moghanian

Abstract:

The major aim of this study was to evaluate the effect of CaO content on in vitro hydroxyapatite formation, MC3T3 cells cytotoxicity and proliferation as well as antibacterial efficiency of sol-gel derived SiO₂–CaO–P₂O₅ ternary system. For this purpose, first two grades of bioactive glass (BG); BG-58s (mol%: 60%SiO₂–36%CaO–4%P₂O₅) and BG-68s (mol%: 70%SiO₂–26%CaO–4%P₂O₅)) were synthesized by sol-gel method. Second, the effect of CaO content in their composition on in vitro bioactivity was investigated by soaking the BG-58s and BG-68s powders in simulated body fluid (SBF) for time periods up to 14 days and followed by characterization inductively coupled plasma atomic emission spectrometry (ICP-AES), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), and scanning electron microscopy (SEM) techniques. Additionally, live/dead staining, 3-(4,5dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT), and alkaline phosphatase (ALP) activity assays were conducted respectively, as qualitatively and quantitatively assess for cell viability, proliferation and differentiations of MC3T3 cells in presence of 58s and 68s BGs. Results showed that BG-58s with higher CaO content showed higher in vitro bioactivity with respect to BG-68s. Moreover, the dissolution rate was inversely proportional to oxygen density of the BG. Live/dead assay revealed that both 58s and 68s increased the mean number live cells which were in good accordance with MTT assay. Furthermore, BG-58s showed more potential antibacterial activity against methicillin-resistant Staphylococcus aureus (MRSA) bacteria. Taken together, BG-58s with enhanced MC3T3 cells proliferation and ALP activity, acceptable bioactivity and significant high antibacterial effect against MRSA bacteria is suggested as a suitable candidate in order to further functionalizing for delivery of therapeutic ions and growth factors in bone tissue engineering.

Keywords: antibacterial, bioactive glass, hydroxyapatite, proliferation, sol-gel processes

Procedia PDF Downloads 125

Authors: C. O. Igberi, M. U. Amadi

Abstract:

This research paper on the impact of import restriction on rice production in Nigeria is aimed at finding/proffering valid solutions to the age long problem of rice self-sufficiency, through a better understanding of policy measures used in the past, in this case, the effectiveness of rice import restriction of the early 90’s. It tries to answer the questions of; import restriction boosting domestic rice production and the macroeconomic determining factors of Gross Domestic Rice Product (GDRP). The research probe is investigated through literature and analytical frameworks, such that time series data on the GDRP, Gross Fixed Capital Formation (GFCF), average foreign rice producers’ prices(PPF), domestic producers’ prices (PPN) and the labour force (LABF) are collated for analysis (with an import restriction dummy variable, POL1). The research objectives/hypothesis are analysed using; Cointegration, Vector Error Correction Model (VECM), Impulse Response Function (IRF) and Granger Causality Test(GCT) methodologies. Results show that in the short-run error correction specification for GDRP, a percentage (1%) deviation away from the long-run equilibrium in a current quarter is only corrected by 0.14% in the subsequent quarter. Also, the rice import restriction policy had no significant effect on the GDRP at this time. Other findings show that the policy period has, in fact, had effects on the PPN and LABF. The choice variables used are valid macroeconomic factors that explain the GDRP of Nigeria, as adduced from the IRF and GCT, and in the long-run. Policy recommendations suggest that the import restriction is not disqualified as a veritable tool for improving domestic rice production, rather better enforcement procedures and strict adherence to the policy dictates is needed. Furthermore, accompanying policies which drive public and private capital investment and accumulation must be introduced. Also, employment rate and labour substitution in the agricultural sector should not be drastically changed, rather its welfare and efficiency be improved.

Keywords: import restriction, gross domestic rice production, cointegration, VECM, Granger causality, impulse response function

Procedia PDF Downloads 181

Authors: S. V. Boroznin, I. V. Zaporotskova, N. P. Polikarpova

Abstract:

Studing of nanotubes sorption properties is very important for researching. These processes for carbon and boron nanotubes described in the high number of papers. But the sorption properties of boron containing nanotubes, susch as BC3-nanotubes haven’t been studied sufficiently yet. In this paper we present the results of theoretical research into the mechanism of atomic surface adsorption on the two types of boron-carbon nanotubes (BCNTs) within the framework of an ionic-built covalent-cyclic cluster model and an appropriately modified MNDO quantum chemical scheme and DFT method using B3LYP functional with 6-31G basis. These methods are well-known and the results, obtained using them, were in good agreement with the experiment. Also we studied three position of atom location above the nanotube surface. These facts suggest us to use them for our research and quantum-chemical calculations. We studied the mechanism of sorption of Cl, O and F atoms on the external surface of single-walled BC3 arm-chair nanotubes. We defined the optimal geometry of the sorption complexes and obtained the values of the sorption energies. Analysis of the band structure suggests that the band gap is insensitive to adsorption process. The electron density is located near atoms of the surface of the tube. Also we compared our results with others, which have been obtained earlier for pure carbon and boron nanotubes. The most stable adsorption complex has been between boron-carbon nanotube and oxygen atom. So, it suggests us to make a research of oxygen molecule adsorption on the BC3 nanotube surface. We modeled five variants of molecule orientation above the nanotube surface. The most stable sorption complex has been defined between the oxygen molecule and nanotube when the oxygen molecule is located above the nanotube surface perpendicular to the axis of the tube.

Keywords: Boron-carbon nanotubes, nanostructures, nanolayers, quantum-chemical calculations, nanoengineering

Procedia PDF Downloads 290

Authors: Wen-Jay Lee, Kuo-Ning Chiang

Abstract:

The graphene binding with silicon substrate has apparently Schottky barriers property, which can be used in the application of solar cell and light source. Because graphene has only one atom layer, the atomistic structure of graphene binding with the silicon surface plays an important role to affect the properties of graphene. In this work, temperature effect on the morphology of graphene sheet attached on different crystal planes of silicon substrates are investigated by Molecular dynamics (MD) (LAMMPS, developed by Sandia National Laboratories). The results show that the covered graphene sheet would cause the structural deformation of the surface Si atoms of stubtrate. To achieve a stable state in the binding process, the surface Si atoms would adjust their position and fit the honeycomb structure of graphene after the graphene attaches to the Si surface. The height contour of graphene on different plane of silicon surfaces presents different pattern, leading the local residual stress at the interface. Due to the high density of dangling bond on the Si (111)7x7 surface, the surface of Si(111)7x7 is not matching with the graphene so well in contrast with Si(100)2x1and Si(111)2x1. Si(111)7x7 is found that only partial silicon adatoms are rearranged on surface after the attachment when the temperature is lower than 200K, As the temperature gradually increases, the deformation of surface structure becomes significant, as well as the residue stress. With increasing temperature till the 815K, the graphene sheet begins to destroy and mixes with the silicon atoms. For the Si(100)2x1 and Si(111)2x1, the silicon surface structure keep its structural arrangement with a higher temperature. With increasing temperature, the residual stress gradually decrease till a critical temperatures. When the temperature is higher than the critical temperature, the residual stress gradually increases and the structural deformation is found on the surface of the Si substrates.

Keywords: molecular dynamics, graphene, silicon, Schottky barriers, interface

Procedia PDF Downloads 301

Authors: Ibrahim Sengor, Sumeyye Cesur, Ilyas Kartal, Faik Nuzhet Oktar, Nazmi Ekren, Ahmet Talat Inan, Oguzhan Gunduz

Abstract:

In recent years, many researchers focused on nano-size fiber production. Nanofibers have been studied due to their different and superior physical, chemical and mechanical properties. Poly (lactic acid) (PLA), is a type of biodegradable thermoplastic polyester derived from renewable sources used in biomedical owing to its biocompatibility and biodegradability. In addition, zinc oxide is an antibacterial material and hazelnut shell powder is a filling material. In this study, nanofibers were obtained by adding of different ratio Zinc oxide, (ZnO) and hazelnut shell powder at different concentration into Poly (lactic acid) (PLA) by using electrospinning method which is the most common method to obtain nanofibers. After dissolving the granulated polylactic acids in % 1,% 2,% 3 and% 4 with chloroform solvent, they are homogenized by adding tween and hazelnut shell powder at different ratios and then by electrospinning, nanofibers are obtained. Scanning electron microscope (SEM), Fourier transform infrared spectroscopy (FTIR), Differential scanning calorimeter (DSC) and physical analysis such as density, electrical conductivity, surface tension, viscosity measurement and antimicrobial test were carried out after production process. The resulting structures of the nanofiber possess antimicrobial and antiseptic properties, which are attractive for biomedical applications. The resulting structures of the nanofiber possess antimicrobial, non toxic, self-cleaning and rigid properties, which are attractive for biomedical applications.

Keywords: electrospinning, hazelnut shell powder, nanofibers, poly (lactic acid), zinc oxide

Procedia PDF Downloads 142

Authors: Louise Jones, Rafael De Andrade Moral, John C. Stephens

Abstract:

Background: Minerals are an essential component of correct nutrition. Conserved hay/haylage is an important component of many horse's diets. Variations in the mineral content of conserved forage should be considered when assessing dietary intake. Objectives: This study describes the levels and differences in 15 commonly analysed minerals in conserved forage fed to horses in the United Kingdom (UK), Ireland (IRL), and France (FRA). Methods: Hay (FRA n=92, IRL n=168, UK n=152) and haylage samples (UK n=287, IRL n=49) were collected during 2017-2020. Mineral analysis was undertaken using inductively coupled plasma-mass spectrometry (ICP-MS). Statistical analysis was performed using beta regression, Gaussian, or gamma models, depending on the nature of the response variable. Results: There are significant differences in the mineral content of the UK, IRL, and FRA conserved forage samples. FRA hay samples had a significantly higher (p < 0.05) levels of Sulphur (0.16 ± 0.0051 %), Calcium (0.56 ± 0.0342%), Magnesium (0.16 ± 0.0069 mg/ kg DM), Iron (194 ± 23.0 mg/kg DM), Cobalt (0.21 ± 0.0244 mg/kg DM) and Copper (4.94 ± 0.196 mg/kg DM) content compared to hay from the other two countries. UK hay samples had significantly less (p < 0.05) Selenium (0.07 ± 0.0084 mg/kg DM), whilst IRL hay samples were significantly (p < 0.05) higher in Chloride (0.9 ± 0.026mg/kg DM) compared to hay from the other two countries. IRL haylage samples were significantly (p < 0.05) higher in Phosphorus (0.26 ± 0.0102 %), Sulphur (0.17 ± 0.0052 %), Chloride (1.01 ± 0.0519 %), Calcium (0.54 ± 0.0257 %), Selenium (0.17 ± 0.0322 mg/kg DM) and Molybdenum (1.47 ± 0.137 mg/kg DM) compared to haylage from the UK. Main Limitations: Forage samples were obtained from professional yards and may not be reflective of forages fed by most horse owners. Information regarding soil type, species of grass, fertiliser treatment, harvest, or storage conditions were not included in this study. Conclusions: At a DM intake of 2% body weight, conserved forage as sampled in this study will be insufficient to meet Zinc, Iodine, and Copper NRC maintenance requirements, and Se intake will also be insufficient for horses fed the UK conserved forage. Many horses receive hay/haylage as the main component of their diet; this study highlights the need to consider forage analysis when making dietary recommendations.

Keywords: conserved forage, hay, haylage, minerals

Procedia PDF Downloads 203

Authors: Stephanie Khater, Ali Chehade, Lamis Chalak

Abstract:

The progressive replacement of the Lebanese autochthonous grapevine cultivars during the last decade by the imported foreign varieties almost resulted in the genetic erosion of the local germplasm and the confusion with cultivars' names. Hence there is a need to characterize these local cultivars and to assess the possible existing variability at the cultivar level. This work was conducted in an attempt to evaluate the intra-varietal diversity within Lebanese traditional cultivars 'Aswad', 'Maghdoushe', 'Maryame', 'Merweh', 'Meksese' and 'Obeide'. A total of 50 accessions distributed over five main geographical areas in Lebanon were collected and submitted to both ampelographic description and ISSR DNA analysis. A set of 35 ampelographic descriptors previously established by the International Office of Vine and Wine and related to leaf, bunch, berry, and phenological stages, were examined. Variability was observed between accessions within cultivars for blade shape, density of prostrate and erect hairs, teeth shape, berry shape, size and color, cluster shape and size, and flesh juiciness. At the molecular level, nine ISSR (inter-simple sequence repeat) primers, previously developed for grapevine, were used in this study. These primers generated a total of 35 bands, of which 30 (85.7%) were polymorphic. Totally, 29 genetic profiles were differentiated, of which 9 revealed within 'Obeide', 6 for 'Maghdoushe', 5 for 'Merweh', 4 within 'Maryame', 3 for 'Aswad' and 2 within 'Meksese'. Findings of this study indicate the existence of several genotypes that form the basis of the main indigenous cultivars grown in Lebanon and which should be further considered in the establishment of new vineyards and selection programs.

Keywords: ampelography, autochthonous cultivars, ISSR markers, Lebanon, Vitis vinifera L.

Procedia PDF Downloads 122

Authors: Said Belaaouad

Abstract:

This study aimed to explore the quantitative structure-activity relationship (QSAR) of 1,2,4-Triazine-3(2H)-one derivative as a potential anticancer agent against breast cancer. The electronic descriptors were obtained using the Density Functional Theory (DFT) method, and a multiple linear regression techniques was employed to construct the QSAR model. The model exhibited favorable statistical parameters, including R2=0.849, R2adj=0.656, MSE=0.056, R2test=0.710, and Q2cv=0.542, indicating its reliability. Among the descriptors analyzed, absolute electronegativity (χ), total energy (TE), number of hydrogen bond donors (NHD), water solubility (LogS), and shape coefficient (I) were identified as influential factors. Furthermore, leveraging the validated QSAR model, new derivatives of 1,2,4-Triazine-3(2H)-one were designed, and their activity and pharmacokinetic properties were estimated. Subsequently, molecular docking (MD) and molecular dynamics (MD) simulations were employed to assess the binding affinity of the designed molecules. The Tubulin colchicine binding site, which plays a crucial role in cancer treatment, was chosen as the target protein. Through the simulation trajectory spanning 100 ns, the binding affinity was calculated using the MMPBSA script. As a result, fourteen novel Tubulin-colchicine inhibitors with promising pharmacokinetic characteristics were identified. Overall, this study provides valuable insights into the QSAR of 1,2,4-Triazine-3(2H)-one derivative as potential anticancer agent, along with the design of new compounds and their assessment through molecular docking and dynamics simulations targeting the Tubulin-colchicine binding site.

Keywords: QSAR, molecular docking, ADMET, 1, 2, 4-triazin-3(2H)-ones, breast cancer, anticancer, molecular dynamic simulations, MMPBSA calculation

Procedia PDF Downloads 68

Authors: Sea Hoon Lim

Abstract:

A superfluid is a fluid of bosons that flows without resistance. In order to be a superfluid, a substance’s particles must behave like bosons, yet remain mobile enough to be considered a superfluid. Bosons are low-temperature particles that can be in all energy states at the same time. If bosons were to be cooled down, then the particles will all try to be on the lowest energy state, which is called the Bose Einstein condensation. The temperature when bosons start to matter is when the temperature has reached its critical temperature. For example, when Helium reaches its critical temperature of 2.17K, the liquid density drops and becomes a superfluid with zero viscosity. However, most materials will solidify -and thus not remain fluids- at temperatures well above the temperature at which they would otherwise become a superfluid. Only a few substances currently known to man are capable of at once remaining a fluid and manifesting boson statistics. The most well-known of these is helium and its isotopes. Because hydrogen is lighter than helium, and thus expected to manifest Bose statistics at higher temperatures than helium, one might expect hydrogen to also be a superfluid. As of today, however, no one has yet been able to produce a bulk, hydrogen superfluid. The reason why hydrogen did not form a superfluid in the past is its intermolecular interactions. As a result, hydrogen molecules are much more likely to crystallize than their helium counterparts. The key to creating a hydrogen superfluid is therefore finding a way to reduce the effect of the interactions among hydrogen molecules, postponing the solidification to lower temperature. In this work, we attempt via computer simulation to produce bulk superfluid hydrogen through binary mixing. Binary mixture is a technique of mixing two pure substances in order to avoid crystallization and enhance super fluidity. Our mixture here is KALJ H2. We then sample the partition function using this Path Integral Monte Carlo (PIMC), which is well-suited for the equilibrium properties of low-temperature bosons and captures not only the statistics but also the dynamics of Hydrogen. Via this sampling, we will then produce a time evolution of the substance and see if it exhibits superfluid properties.

Keywords: superfluidity, hydrogen, binary mixture, physics

Procedia PDF Downloads 299