Search results for: inoculum density
2758 Device Modelling and Analysis of Eco-friendly Inverted Solar Cell Structure Using Valency Ordered Inorganic Double Perovskite Material
Authors: Sindhu S Nair, Atul Thakur, Preeti Thakur, Trukhanov Alex
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Perovskite-based absorbing materials that are organic, inorganic, or hybrid have gained interest as an appealing candidate for the development of solar cell devices. Lead-based perovskites are among the most promising materials, but their application is plagued with toxicity and stability concerns. Most of the perovskite solar cell consists of conventional (n-i-p) structure with organic or inorganic charge transport materials. The commercial application of such device is limited due to higher J-V hysteresis and the need for high temperature during fabrication. This numerical analysis primarily directs to investigate the performance of various inorganic lead-free valency ordered double perovskite absorber materials and to develop an inverted perovskite solar cell device structure. Simulation efforts using SCAPS-1D was carried out with various organic and inorganic charge transport materials with absorber layer materials, and their performance has been evaluated for various factors of thickness, absorber thickness, absorber defect density, and interface defect density to achieve the optimized structure.Keywords: perovskite materials, solar cell, inverted solar cell, inorganic perovskite solar cell materials, cell efficiency
Procedia PDF Downloads 832757 Geological Structure Identification in Semilir Formation: An Correlated Geological and Geophysical (Very Low Frequency) Data for Zonation Disaster with Current Density Parameters and Geological Surface Information
Authors: E. M. Rifqi Wilda Pradana, Bagus Bayu Prabowo, Meida Riski Pujiyati, Efraim Maykhel Hagana Ginting, Virgiawan Arya Hangga Reksa
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The VLF (Very Low Frequency) method is an electromagnetic method that uses low frequencies between 10-30 KHz which results in a fairly deep penetration. In this study, the VLF method was used for zonation of disaster-prone areas by identifying geological structures in the form of faults. Data acquisition was carried out in Trimulyo Region, Jetis District, Bantul Regency, Special Region of Yogyakarta, Indonesia with 8 measurement paths. This study uses wave transmitters from Japan and Australia to obtain Tilt and Elipt values that can be used to create RAE (Rapat Arus Ekuivalen or Current Density) sections that can be used to identify areas that are easily crossed by electric current. This section will indicate the existence of a geological structure in the form of faults in the study area which is characterized by a high RAE value. In data processing of VLF method, it is obtained Tilt vs Elliptical graph and Moving Average (MA) Tilt vs Moving Average (MA) Elipt graph of each path that shows a fluctuating pattern and does not show any intersection at all. Data processing uses Matlab software and obtained areas with low RAE values that are 0%-6% which shows medium with low conductivity and high resistivity and can be interpreted as sandstone, claystone, and tuff lithology which is part of the Semilir Formation. Whereas a high RAE value of 10% -16% which shows a medium with high conductivity and low resistivity can be interpreted as a fault zone filled with fluid. The existence of the fault zone is strengthened by the discovery of a normal fault on the surface with strike N550W and dip 630E at coordinates X= 433256 and Y= 9127722 so that the activities of residents in the zone such as housing, mining activities and other activities can be avoided to reduce the risk of natural disasters.Keywords: current density, faults, very low frequency, zonation
Procedia PDF Downloads 1752756 Invalidation of the Start of Lunar Calendars Based on Sighting of Crescent: A Survey of 101 Years of Data between 1938 and 2038
Authors: Rafik Ouared
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The purpose of this paper is to invalidate decisions made by the Islamic conference led at Istanbul in 2016, which had defined two basic criteria to determine the start of the lunar month: (1)they are all based on the sighting of the crescent, be it observed or computed with modern methods, and (2) they've strongly recommended the adoption of the principle of 'unification of sighting', by which any occurrence of sighting anywhere would be applicable everywhere. To demonstrate the invalidation of those statements, a survey of 101 years of data, from 1938 to 2038, have been analyzed to compare the probability density function (PDF) of time difference between different types of fajr and new moon. Two groups of fajr have been considered: the 'natural fajr', which is the very first fajr following new moon, and the 'biased fajr', which is defined by human being inclusively of all chosen definitions. The parametric and non-parametric statistical comparisons between the different groups have shown the all the biased PDFs are significantly different from the unbiased (natural) PDF with probability value (p-value) less than 0.001. The significance level was fixed to 0.05. Conclusion: the on-going reference to sighting of crescent is inducing an significant bias in defining lunar calendar. Therefore, 'natural' calendar would be more applicable requiring a more contextualized revision of issue in fiqh.Keywords: biased fajr, lunar calendar, natural fajr, probability density function, sighting of crescent, time difference between fajr and new moon
Procedia PDF Downloads 2122755 Experimental Study of Vibration Isolators Made of Expanded Cork Agglomerate
Authors: S. Dias, A. Tadeu, J. Antonio, F. Pedro, C. Serra
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The goal of the present work is to experimentally evaluate the feasibility of using vibration isolators made of expanded cork agglomerate. Even though this material, also known as insulation cork board (ICB), has mainly been studied for thermal and acoustic insulation purposes, it has strong potential for use in vibration isolation. However, the adequate design of expanded cork blocks vibration isolators will depend on several factors, such as excitation frequency, static load conditions and intrinsic dynamic behavior of the material. In this study, transmissibility tests for different static and dynamic loading conditions were performed in order to characterize the material. Since the material’s physical properties can influence the vibro-isolation performance of the blocks (in terms of density and thickness), this study covered four mass density ranges and four block thicknesses. A total of 72 expanded cork agglomerate specimens were tested. The test apparatus comprises a vibration exciter connected to an excitation mass that holds the test specimen. The test specimens under characterization were loaded successively with steel plates in order to obtain results for different masses. An accelerometer was placed at the top of these masses and at the base of the excitation mass. The test was performed for a defined frequency range, and the amplitude registered by the accelerometers was recorded in time domain. For each of the signals (signal 1- vibration of the excitation mass, signal 2- vibration of the loading mass) a fast Fourier transform (FFT) was applied in order to obtain the frequency domain response. For each of the frequency domain signals, the maximum amplitude reached was registered. The ratio between the amplitude (acceleration) of signal 2 and the amplitude of signal 1, allows the calculation of the transmissibility for each frequency. Repeating this procedure allowed us to plot a transmissibility curve for a certain frequency range. A number of transmissibility experiments were performed to assess the influence of changing the mass density and thickness of the expanded cork blocks and the experimental conditions (static load and frequency of excitation). The experimental transmissibility tests performed in this study showed that expanded cork agglomerate blocks are a good option for mitigating vibrations. It was concluded that specimens with lower mass density and larger thickness lead to better performance, with higher vibration isolation and a larger range of isolated frequencies. In conclusion, the study of the performance of expanded cork agglomerate blocks presented herein will allow for a more efficient application of expanded cork vibration isolators. This is particularly relevant since this material is a more sustainable alternative to other commonly used non-environmentally friendly products, such as rubber.Keywords: expanded cork agglomerate, insulation cork board, transmissibility tests, sustainable materials, vibration isolators
Procedia PDF Downloads 3322754 Roadway Infrastructure and Bus Safety
Authors: Richard J. Hanowski, Rebecca L. Hammond
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Very few studies have been conducted to investigate safety issues associated with motorcoach/bus operations. The current study investigates the impact that roadway infrastructure, including locality, roadway grade, traffic flow and traffic density, have on bus safety. A naturalistic driving study was conducted in the U.S.A that involved 43 motorcoaches. Two fleets participated in the study and over 600,000 miles of naturalistic driving data were collected. Sixty-five bus drivers participated in this study; 48 male and 17 female. The average age of the drivers was 49 years. A sophisticated data acquisition system (DAS) was installed on each of the 43 motorcoaches and a variety of kinematic and video data were continuously recorded. The data were analyzed by identifying safety critical events (SCEs), which included crashes, near-crashes, crash-relevant conflicts, and unintentional lane deviations. Additionally, baseline (normative driving) segments were also identified and analyzed for comparison to the SCEs. This presentation highlights the need for bus safety research and the methods used in this data collection effort. With respect to elements of roadway infrastructure, this study highlights the methods used to assess locality, roadway grade, traffic flow, and traffic density. Locality was determined by manual review of the recorded video for each event and baseline and was characterized in terms of open country, residential, business/industrial, church, playground, school, urban, airport, interstate, and other. Roadway grade was similarly determined through video review and characterized in terms of level, grade up, grade down, hillcrest, and dip. The video was also used to make a determination of the traffic flow and traffic density at the time of the event or baseline segment. For traffic flow, video was used to assess which of the following best characterized the event or baseline: not divided (2-way traffic), not divided (center 2-way left turn lane), divided (median or barrier), one-way traffic, or no lanes. In terms of traffic density, level-of-service categories were used: A1, A2, B, C, D, E, and F. Highlighted in this abstract are only a few of the many roadway elements that were coded in this study. Other elements included lighting levels, weather conditions, roadway surface conditions, relation to junction, and roadway alignment. Note that a key component of this study was to assess the impact that driver distraction and fatigue have on bus operations. In this regard, once the roadway elements had been coded, the primary research questions that were addressed were (i) “What environmental condition are associated with driver choice of engagement in tasks?”, and (ii) “what are the odds of being in a SCE while engaging in tasks while encountering these conditions?”. The study may be of interest to researchers and traffic engineers that are interested in the relationship between roadway infrastructure elements and safety events in motorcoach bus operations.Keywords: bus safety, motorcoach, naturalistic driving, roadway infrastructure
Procedia PDF Downloads 1802753 Discriminating Between Energy Drinks and Sports Drinks Based on Their Chemical Properties Using Chemometric Methods
Authors: Robert Cazar, Nathaly Maza
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Energy drinks and sports drinks are quite popular among young adults and teenagers worldwide. Some concerns regarding their health effects – particularly those of the energy drinks - have been raised based on scientific findings. Differentiating between these two types of drinks by means of their chemical properties seems to be an instructive task. Chemometrics provides the most appropriate strategy to do so. In this study, a discrimination analysis of the energy and sports drinks has been carried out applying chemometric methods. A set of eleven samples of available commercial brands of drinks – seven energy drinks and four sports drinks – were collected. Each sample was characterized by eight chemical variables (carbohydrates, energy, sugar, sodium, pH, degrees Brix, density, and citric acid). The data set was standardized and examined by exploratory chemometric techniques such as clustering and principal component analysis. As a preliminary step, a variable selection was carried out by inspecting the variable correlation matrix. It was detected that some variables are redundant, so they can be safely removed, leaving only five variables that are sufficient for this analysis. They are sugar, sodium, pH, density, and citric acid. Then, a hierarchical clustering `employing the average – linkage criterion and using the Euclidian distance metrics was performed. It perfectly separates the two types of drinks since the resultant dendogram, cut at the 25% similarity level, assorts the samples in two well defined groups, one of them containing the energy drinks and the other one the sports drinks. Further assurance of the complete discrimination is provided by the principal component analysis. The projection of the data set on the first two principal components – which retain the 71% of the data information – permits to visualize the distribution of the samples in the two groups identified in the clustering stage. Since the first principal component is the discriminating one, the inspection of its loadings consents to characterize such groups. The energy drinks group possesses medium to high values of density, citric acid, and sugar. The sports drinks group, on the other hand, exhibits low values of those variables. In conclusion, the application of chemometric methods on a data set that features some chemical properties of a number of energy and sports drinks provides an accurate, dependable way to discriminate between these two types of beverages.Keywords: chemometrics, clustering, energy drinks, principal component analysis, sports drinks
Procedia PDF Downloads 1082752 Improving Carbon Fiber Structural Battery Performance with Polymer Interface
Authors: Kathleen Moyer, Nora Ait Boucherbil, Murtaza Zohair, Janna Eaves-Rathert, Cary Pint
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This study demonstrates the significance of interface engineering in the field of structural energy by being the first case where the performance of the system with the structural battery is greater than the performance of the same system with a battery separate from the system. The benefits of improving the interface in the structural battery were tested by creating carbon fiber composite batteries (and independent graphite electrodes and lithium iron phosphate electrodes) with and without an improved interface. Mechanical data on the structural batteries were collected using tensile tests and electrochemical data was collected using scanning electron microscopy equipment. The full-cell lithium-ion structural batteries had capacity retention of over 80% exceeding 100 cycles with an average energy density of 52 W h kg−1 and a maximum energy density of 58 W h kg−1. Most scientific developments in the field of structural energy have been done with supercapacitors. Most scientific developments with structural batteries have been done where batteries are simply incorporated into the structural element. That method has limited advantages and can create mechanical disadvantages. This study aims to show that a large improvement in structure energy research can be made by improving the interface between the structural device and the battery.Keywords: composite materials, electrochemical performance, mechanical properties, polymer interface, structural batteries
Procedia PDF Downloads 1092751 Biogas Production from Zebra Manure and Winery Waste Co-Digestion
Authors: Wicleffe Musingarimi
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Currently, the rising energy demand as a result of an increase in the world’s population and the sustainable use of abundant natural resources are key issues facing many developed and developing countries including South Africa. Most of the energy to meet this growing demand comes from fossil fuel. Use of fossil fuels has led to environmental problems such air pollution, climate change, and acid rain. In addition, fossil fuels are facing continual depletion, which has led to the rise in oil prices, leading to the global economies melt down. Hence development of alternative clean and renewable energy source is a global priority. Renewable biomass from forest products, agricultural crops, and residues, as well as animal and municipal waste are promising alternatives. South Africa is one of the leading wine producers in the world; leading to a lot of winery waste (ww) being produced which can be used in anaerobic digestion (AD) to produce biogas. Biogas was produced from batch anaerobic digestion of zebra manure (zm) and batch anaerobic co-digestion of winery waste (ww) and zebra manure through water displacement. The batch digester with slurry of winery waste and zebra manure in the weight ratio of 1:2 was operated in a 1L container at 37°C for 30days. Co-digestion of winery waste and zebra manure produced higher amount of biogas as compared to zebra manure alone and winery waste alone. No biogas was produced by batch anaerobic digestion of winery waste alone. Chemical analysis of C/N ratio and total solids (TS) of zebra manure was 21.89 and 25.2 respectively. These values of C/N ratio and TS were quite high compared to values of other studied manures. Zebra manure also revealed unusually high concentration of Fe reaching 3600pm compared to other studies of manure. PCR with communal DNA of the digestate gave a positive hit for the presence of archaea species using standard archea primers; suggesting the presence of methanogens. Methanogens are key microbes in the production of biogas. Therefore, this study demonstrated the potential of zebra manure as an inoculum in the production of biogas.Keywords: anaerobic digestion, biogas, co-digestion, methanogens
Procedia PDF Downloads 2272750 Microwave-Assisted Torrefaction of Teakwood Biomass Residues: The Effect of Power Level and Fluid Flows
Authors: Lukas Kano Mangalla, Raden Rinova Sisworo, Luther Pagiling
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Torrefaction is an emerging thermo-chemical treatment process that aims to improve the quality of biomass fuels. This study focused on upgrading the waste teakwood through microwave torrefaction processes and investigating the key operating parameters to improve energy density for the quality of biochar production. The experiments were carried out in a 250 mL reactor placed in a microwave cavity on two different media, inert and non-inert. The microwave was operated at a frequency of 2.45GHz with power level variations of 540W, 720W, and 900W, respectively. During torrefaction processes, the nitrogen gas flows into the reactor at a rate of 0.125 mL/min, and the air flows naturally. The temperature inside the reactor was observed every 0.5 minutes for 20 minutes using a K-Type thermocouple. Changes in the mass and the properties of the torrefied products were analyzed to predict the correlation between calorific value, mass yield, and level power of the microwave. The results showed that with the increase in the operating power of microwave torrefaction, the calorific value and energy density of the product increased significantly, while mass and energy yield tended to decrease. Air can be a great potential media for substituting the expensive nitrogen to perform the microwave torrefaction for teakwood biomass.Keywords: torrefaction, microwave heating, energy enhancement, mass and energy yield
Procedia PDF Downloads 922749 Effect of Halloysite on Heavy Metals Fate during Solid Waste Pyrolysis: A Combinatorial Experimental/Computational Study
Authors: Tengfei He, Mengjie Zhang, Baosheng Jin
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In this study, the low-cost halloysite (Hal) was utilized for the first time to enhance the solid-phase enrichment and stability of heavy metals (HMs) during solid waste pyrolysis through experimental and theoretical methods, and compared with kaolinite (Kao). Experimental results demonstrated that Hal was superior to Kao in improving the solid-phase enrichment of HMs. Adding Hal reduced the proportion of HMs in the unstable fraction (F1+F2), consequently lowering the environmental risk of biochar and the extractable state of HMs. Through Grand canonical Monte Carlo and Density Functional Theory (DFT) simulations, the adsorption amounts and adsorption mechanisms of Cd/Pb compound on Hal/Kao surfaces were analyzed. The adsorption amounts of HMs by Hal were significantly higher than Kao and decreased with increasing temperature, and the difference in adsorption performance caused by structural bending was negligible. The DFT results indicated that Cd/Pb monomers were stabilized by establishing covalent bonds with OH or reactive O atoms on the Al-(0 0 1) surface, whereas the covalent bonds with ionic bonding properties formed between Cl atoms and unsaturated Al atoms played a crucial role in stabilizing HM chlorides. This study highlights the potential of Hal in stabilizing HMs during pyrolysis without requiring any modifications.Keywords: heavy metals, halloysite, density functional theory, grand canonical Monte Carlo
Procedia PDF Downloads 722748 The Cut-Off Value of TG/HDL Ratio of High Pericardial Adipose Tissue
Authors: Nam-Seok Joo, Da-Eun Jung, Beom-Hee Choi
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Background and Objectives: Recently, the triglyceride/high-density lipoprotine cholesterol (TG/HDL) ratio and pericardial adipose tissue (PAT) has gained attention as an indicator related to metabolic syndrome (MS). To date, there has been no research on the relationship between TG/HDL and PAT, we aimed to investigate the association between the TG/HDL and PAT. Methods: In this cross-sectional study, we investigated 627 patients who underwent coronary multidetector computed tomography and metabolic parameters. We divided subjects into two groups according to the cut-off PAT volume associated with MS, which is 142.2 cm³, and we compared metabolic parameters between those groups. We divided the TG/HDL ratio into tertiles according to Log(TG/HDL) and compared PAT-related parameters by analysis of variance. Finally, we applied logistic regression analysis to obtain the odds ratio of high PAT (PAT volume≥142.2 cm³) in each tertile, and we performed receiver operating characteristic (ROC) analysis to get the cut-off of TG/HDL ratio according to high PAT. Results: The mean TG/ HDL ratio of the high PAT volume group was 3.6, and TG/ HDL ratio had a strong positive correlation with various metabolic parameters. In addition, in the Log (TG/HDL) tertile groups, the higher tertile had more metabolic derangements, including PAT, and showed higher odds ratios of having high PAT (OR=4.10 in the second tertile group and OR=5.06 in their third tertile group, respectively) after age, sex, smoking adjustments. TG/HDL ratio according to the having increased PAT by ROC curve showed 1.918 (p < 0.001). Conclusion: TG/HDL ratio and high PAT volume have a significant positive correlation, and higher TG/HDL ratio showed high PAT. The cut-off value of the TG/HDL ratio was 1.918 to have a high PAT.Keywords: triglyceride, high-density lipoprotein, pericardial adipose tissue, cut-off value
Procedia PDF Downloads 152747 Hydrogen Embrittlement Properties of the Hot Stamped Carbon Steels
Authors: Mitsuhiro Okayasu, Lele Yang, Koji Shimotsu
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The effects of microstructural characteristics on the mechanical and hydrogen embrittlement properties of 1,800MPa grade hot stamping carbon steel were investigated experimentally. The tensile strength increased with increasing the hot stamping temperature until around 921°C, but that decreased with increasing the temperature in more than 921°C due to the increment of the size of lath martensite and prior austenite. With the hot stamping process, internal strain was slightly created in the sample, which led to the slight increment of the hardness value although no clear change of the microstructural formation was detected. Severity of hydrogen embrittlement was investigated using the hot stamped carbon steels after the immersion in a hydrogen gas, and that was directly attributed to the infiltration of the hydrogen into their grain boundaries. The high strength carbon steel with tiny lath martensite microstructure could make severe hydrogen brittleness as the hydrogen was strongly penetrated in the grain boundaries in the hydrogen gas for a month. Because of weak embrittlement for the as-received carbon (ferrite and pearlite), hydrogen embrittlement is caused by the high internal strain and high dislocation density. The hydrogen embrittlement for carbon steel is attributed to amount of the hydrogen immersed in-between grain boundaries, which is caused by the dislocation density and internal strain.Keywords: hydrogen embrittlement, hot stamping process, carbon steel, mechanical property
Procedia PDF Downloads 2012746 A Numerical Study on Electrophoresis of a Soft Particle with Charged Core Coated with Polyelectrolyte Layer
Authors: Partha Sarathi Majee, S. Bhattacharyya
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Migration of a core-shell soft particle under the influence of an external electric field in an electrolyte solution is studied numerically. The soft particle is coated with a positively charged polyelectrolyte layer (PEL) and the rigid core is having a uniform surface charge density. The Darcy-Brinkman extended Navier-Stokes equations are solved for the motion of the ionized fluid, the non-linear Nernst-Planck equations for the ion transport and the Poisson equation for the electric potential. A pressure correction based iterative algorithm is adopted for numerical computations. The effects of convection on double layer polarization (DLP) and diffusion dominated counter ions penetration are investigated for a wide range of Debye layer thickness, PEL fixed surface charge density, and permeability of the PEL. Our results show that when the Debye layer is in order of the particle size, the DLP effect is significant and produces a reduction in electrophoretic mobility. However, the double layer polarization effect is negligible for a thin Debye layer or low permeable cases. The point of zero mobility and the existence of mobility reversal depending on the electrolyte concentration are also presented.Keywords: debye length, double layer polarization, electrophoresis, mobility reversal, soft particle
Procedia PDF Downloads 3452745 An Investigation on Fresh and Hardened Properties of Concrete While Using Polyethylene Terephthalate (PET) as Aggregate
Authors: Md. Jahidul Islam, A. K. M. Rakinul Islam, M. Salamah Meherier
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This study investigates the suitability of using plastic, such as polyethylene terephthalate (PET), as a partial replacement of natural coarse and fine aggregates (for example, brick chips and natural sand) to produce lightweight concrete for load bearing structural members. The plastic coarse aggregate (PCA) and plastic fine aggregate (PFA) were produced from melted polyethylene terephthalate (PET) bottles. Tests were conducted using three different water–cement (w/c) ratios, such as 0.42, 0.48, and 0.57, where PCA and PFA were used as 50% replacement of coarse and fine aggregate respectively. Fresh and hardened properties of concrete have been compared for natural aggregate concrete (NAC), PCA concrete (PCC) and PFA concrete (PFC). The compressive strength of concrete at 28 days varied with the water–cement ratio for both the PCC and PFC. Between PCC and PFC, PFA concrete showed the highest compressive strength (23.7 MPa) at 0.42 w/c ratio and also the lowest compressive strength (13.7 MPa) at 0.57 w/c ratio. Significant reduction in concrete density was mostly observed for PCC samples, ranging between 1977–1924 kg/m³. With the increase in water–cement ratio PCC achieved higher workability compare to both NAC and PFC. It was found that both the PCA and PFA contained concrete achieved the required compressive strength to be used for structural purpose as partial replacement of the natural aggregate; but to obtain the desired lower density as lightweight concrete the PCA is most suited.Keywords: polyethylene terephthalate, plastic aggregate, concrete, fresh and hardened properties
Procedia PDF Downloads 4402744 Comparison of Different Activators Impact on the Alkali-Activated Aluminium-Silicate Composites
Authors: Laura Dembovska, Ina Pundiene, Diana Bajare
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Alkali-activated aluminium-silicate composites (AASC) can be used in the production of innovative materials with a wide range of properties and applications. AASC are associated with low CO₂ emissions; in the production process, it is possible to use industrial by-products and waste, thereby minimizing the use of a non-renewable natural resource. This study deals with the preparation of heat-resistant porous AASC based on chamotte for high-temperature applications up to 1200°C. Different fillers, aluminium scrap recycling waste as pores forming agent and alkali activation with 6M sodium hydroxide (NaOH) and potassium hydroxide (KOH) solution were used. Sodium hydroxide (NaOH) is widely used for the synthesis of AASC compared to potassium hydroxide (KOH), but comparison of using different activator for geopolymer synthesis is not well established. Changes in chemical composition of AASC during heating were identified and quantitatively analyzed by using DTA, dimension changes during the heating process were determined by using HTOM, pore microstructure was examined by SEM, and mineralogical composition of AASC was determined by XRD. Lightweight porous AASC activated with NaOH have been obtained with density in range from 600 to 880 kg/m³ and compressive strength from 0.8 to 2.7 MPa, but for AAM activated with KOH density was in range from 750 to 850 kg/m³ and compressive strength from 0.7 to 2.1 MPa.Keywords: alkali activation, alkali activated materials, elevated temperature application, heat resistance
Procedia PDF Downloads 1782743 Two-Dimensional Transition Metal Dichalcogenides for Photodetection and Biosensing
Authors: Mariam Badmus, Bothina Manasreh
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Transition metal dichalcogenides (TMDs) have gained significant attention as two-dimensional (2D) materials due to their intrinsic band gaps and unique properties, which make them ideal candidates for electronic and photonic applications. Unlike graphene, which lacks a band gap, TMDs (MX₂, where M is a transition metal and X is a chalcogen such as sulfur, selenium, or tellurium) exhibit semiconductor behavior and can be exfoliated into monolayers, enhancing their properties. The properties of these materials are investigated using density functional theory, a quantum mechanical computational method to solve Schrodinger equation for many body problems to calculate electron density of the atoms involved on which the energy and properties of a system depend. They show promise for use in photodetectors, biosensors, memory devices, and other technologies in communications, health, and energy sectors. In particular, metallic TMDs, which lack an intrinsic band gap, benefit from doping with transition metals, this improves their electronic and optical properties. Doping monolayer TMDs yields more significant improvements than doping bulk materials. Notably, doping with metals such as vanadium enhances the magnetization of TMDs, expanding their potential applications in spintronics. This work highlights the effects of doping on TMDs and explores strategies for optimizing their performance for advanced technological applications.Keywords: concentration, doping, magnetization, monolayer
Procedia PDF Downloads 112742 The Effects of Exercise Training on LDL Mediated Blood Flow in Coronary Artery Disease: A Systematic Review
Authors: Aziza Barnawi
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Background: Regular exercise reduces risk factors associated with cardiovascular diseases. Over the past decade, exercise interventions have been introduced to reduce the risk of and prevent coronary artery disease (CAD). Elevated low-density lipoproteins (LDL) contribute to the formation of atherosclerosis, its manifestations on the endothelial narrow the coronary artery and affect the endothelial function. Therefore, flow-mediated dilation (FMD) technique is used to assess the function. The results of previous studies have been inconsistent and difficult to interpret across different types of exercise programs. The relationship between exercise therapy and lipid levels has been extensively studied, and it is known to improve the lipid profile and endothelial function. However, the effectiveness of exercise in altering LDL levels and improving blood flow is controversial. Objective: This review aims to explore the evidence and quantify the impact of exercise training on LDL levels and vascular function by FMD. Methods: Electronic databases were searched PubMed, Google Scholar, Web of Science, the Cochrane Library, and EBSCO using the keywords: “low and/or moderate aerobic training”, “blood flow”, “atherosclerosis”, “LDL mediated blood flow”, “Cardiac Rehabilitation”, “low-density lipoproteins”, “flow-mediated dilation”, “endothelial function”, “brachial artery flow-mediated dilation”, “oxidized low-density lipoproteins” and “coronary artery disease”. The studies were conducted for 6 weeks or more and influenced LDL levels and/or FMD. Studies with different intensity training and endurance training in healthy or CAD individuals were included. Results: Twenty-one randomized controlled trials (RCTs) (14 FMD and 7 LDL studies) with 776 participants (605 exercise participants and 171 control participants) met eligibility criteria and were included in the systematic review. Endurance training resulted in a greater reduction in LDL levels and their subfractions and a better FMD response. Overall, the training groups showed improved physical fitness status compared with the control groups. Participants whose exercise duration was ≥150 minutes /week had significant improvement in FMD and LDL levels compared with those with <150 minutes/week.Conclusion: In conclusion, although the relationship between physical training, LDL levels, and blood flow in CAD is complex and multifaceted, there are promising results for controlling primary and secondary prevention of CAD by exercise. Exercise training, including resistance, aerobic, and interval training, is positively correlated with improved FMD. However, the small body of evidence for LDL studies (resistance and interval training) did not prove to be significantly associated with improved blood flow. Increasing evidence suggests that exercise training is a promising adjunctive therapy to improve cardiovascular health, potentially improving blood flow and contributing to the overall management of CAD.Keywords: exercise training, low density lipoprotein, flow mediated dilation, coronary artery disease
Procedia PDF Downloads 722741 Modeling and Optimization of a Microfluidic Electrochemical Cell for the Electro-Reduction of CO₂ to CH₃OH
Authors: Barzin Rajabloo, Martin Desilets
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First, an electrochemical model for the reduction of CO₂ into CH₃OH is developed in which mass and charge transfer, reactions at the surface of the electrodes and fluid flow of the electrolyte are considered. This mathematical model is developed in COMSOL Multiphysics® where both secondary and tertiary current distribution interfaces are coupled to consider concentrations and potentials inside different parts of the cell. Constant reaction rates are assumed as the fitted parameters to minimize the error between experimental data and modeling results. The model is validated through a comparison with experimental data in terms of faradaic efficiency for production of CH₃OH, the current density in different applied cathode potentials as well as current density in different electrolyte flow rates. The comparison between model outputs and experimental measurements shows a good agreement. The model indicates the higher hydrogen evolution in comparison with CH₃OH production as well as mass transfer limitation caused by CO₂ concentration, which are consistent with findings in the literature. After validating the model, in the second part of the study, some design parameters of the cell, such as cathode geometry and catholyte/anolyte channel widths, are modified to reach better performance and higher faradaic efficiency of methanol production.Keywords: carbon dioxide, electrochemical reduction, methanol, modeling
Procedia PDF Downloads 1092740 The Effects of Electron Trapping by Electron-Ecoustic Waves Excited with Electron Beam
Authors: Abid Ali Abid
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One-dimensional (1-D) particle-in-cell (PIC) electrostatic simulations are carried out to investigate the electrostatic waves, whose constituents are hot, cold and beam electrons in the background of motionless positive ions. In fact, the electrostatic modes excited are electron acoustic waves, beam driven waves as well as Langmuir waves. It is assessed that the relevant plasma parameters, for example, hot electron temperature, beam electron drift speed, and the electron beam density significantly modify the electrostatics wave's profiles. In the nonlinear stage, the wave-particle interaction becomes more evident and the waves have obtained its saturation level. Consequently, electrons become trapped in the waves and trapping vortices are clearly formed. Because of this trapping vortices and mixing of the electrons in phase space, finally, lead to electrons thermalization. It is observed that for the high-density value of the beam-electron, the solitary waves having a bipolar form of the electric field. These solitons are the nonlinear Brenstein-Greene and Kruskal wave mode that attributes the trapping of electrons potential well of phase-space hole. These examinations revealed that electrostatic waves have been exited in beam-plasma model and producing waves having broad-frequency ranges, which may clarify the broadband electrostatic noise (BEN) spectrum studied in the auroral zone.Keywords: electron acoustic waves, trapping of cold electron, Langmuir waves, particle-in cell simulation
Procedia PDF Downloads 2062739 Thermodynamic Performance Tests for 3D Printed Steel Slag Powder Concrete Walls
Authors: Li Guoyou, Zhang Tao, Ji Wenzhan, Huo Liang, Lin Xiqiang, Zhang Nan
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The three dimensional (3D) printing technology has undergone rapid development in the last few years and it is possible to print engineering structures. 3D printing buildings use wastes from constructions, industries and mine tailings as “ink”, and mix it with property improved materials, such as cement, fiber etc. This paper presents a study of the Thermodynamic performance of 3D printed walls using cement and steel slag powder. Analyses the thermal simulation regarding 3D printed walls and solid brick wall by the way of the hot-box methods and the infrared technology, and the results were contrasted with theoretical calculation. The results show that the excellent thermodynamic performance of 3D printed concrete wall made it suitable as the partial materials for self-thermal insulation walls in residential buildings. The thermodynamic performance of 3D printed concrete walls depended on the density of materials, distribution of holes, and the filling materials. Decreasing the density of materials, increasing the number of holes or replacing the filling materials with foamed concrete could improve its thermodynamic performance significantly. The average of heat transfer coefficient and thermal inertia index of 3D printed steel slag powder concrete wall all better than the traditional solid brick wall with a thickness of 240mm.Keywords: concrete, 3D printed walls, thermodynamic performance, steel slag powder
Procedia PDF Downloads 1832738 Evolution of Nettlespurge Oil Mud for Drilling Mud System: A Comparative Study of Diesel Oil and Nettlespurge Oil as Oil-Based Drilling Mud
Authors: Harsh Agarwal, Pratikkumar Patel, Maharshi Pathak
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Recently the low prices of Crude oil and increase in strict environmental regulations limit limits the use of diesel based muds as these muds are relatively costlier and toxic, as a result disposal of cuttings into the eco-system is a major issue faced by the drilling industries. To overcome these issues faced by the Oil Industry, an attempt has been made to develop oil-in-water emulsion mud system using nettlespurge oil. Nettlespurge oil could be easily available and its cost is around ₹30/litre which is about half the price of diesel in India. Oil-based mud (OBM) was formulated with Nettlespurge oil extracted from Nettlespurge seeds using the Soxhlet extraction method. The formulated nettlespurge oil mud properties were analysed with diesel oil mud properties. The compared properties were rheological properties, yield point and gel strength, and mud density and filtration loss properties, fluid loss and filter cake. The mud density measurement showed that nettlespurge OBM was slightly higher than diesel OBM with mud density values of 9.175 lb/gal and 8.5 lb/gal, respectively, at barite content of 70 g. Thus it has a higher lubricating property. Additionally, the filtration loss test results showed that nettlespurge mud fluid loss volumes, oil was 11 ml, compared to diesel oil mud volume of 15 ml. The filtration loss test indicated that the nettlespurge oil mud with filter cake thickness of 2.2 mm had a cake characteristic of thin and squashy while the diesel oil mud resulted in filter cake thickness of 2.7 mm with cake characteristic of tenacious, rubbery and resilient. The filtration loss test results showed that nettlespurge oil mud fluid loss volumes was much less than the diesel based oil mud. The filtration loss test indicated that the nettlespurge oil mud filter cake thickness less than the diesel oil mud filter cake thickness. So Low formation damage and the emulsion stability effect was analysed with this experiment. The nettlespurge oil-in-water mud system had lower coefficient of friction than the diesel oil based mud system. All the rheological properties have shown better results relative to the diesel based oil mud. Therefore, with all the above mentioned factors and with the data of the conducted experiment we could conclude that the Nettlespurge oil based mud is economically and well as eco-logically much more feasible than the worn out and shabby diesel-based oil mud in the Drilling Industry.Keywords: economical feasible, ecological feasible, emulsion stability, nettle spurge oil, rheological properties, soxhlet extraction method
Procedia PDF Downloads 2032737 Silver Nanoparticles Synthesized in Plant Extract Against Acute Hepatopancreatic Necrosis of Shrimp: Estimated By Multiple Models
Authors: Luz del Carmen Rubí Félix Peña, Jose Adan Felix-Ortiz, Ely Sara Lopez-Alvarez, Wenceslao Valenzuela-Quiñonez
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On a global scale, Mexico is the sixth largest producer of farmed white shrimp (Penaeus vannamei). The activity suffered significant economic losses due to acute hepatopancreatic necrosis (AHPND) caused by a strain of Vibrio parahaemolyticus. For control, the first option is the application of antibiotics in food, causing changes in the environment and bacterial communities, which has produced greater virulence and resistance of pathogenic bacteria. An alternative treatment is silver nanoparticles (AgNPs) generated by green synthesis, which have shown an antibacterial capacity by destroying the cell membrane or denaturing the cell. However, the doses at which these are effective are still unknown. The aim is to calculate the minimum inhibitory concentration (MIC) using the Gompertz, Richard, and Logistic model of biosynthesized AgNPs against a strain of V. parahaemolyticus. Through the testing of different formulations of AgNPs synthesized from Euphorbia prostrate (Ep) extracts against V. parahaemolyticus causing AHPND in white shrimp. Aqueous and ethanol extracts were obtained, and the concentration of phenols and flavonoids was quantified. In the antibiograms, AgNPs were formulated in ethanol extracts of Ep (20 and 30%). The inhibition halo at well dilution test were 18±1.7 and 17.67±2.1 mm against V. parahaemolyticus. A broth microdilution was performed with the inhibitory agents (aqueous and ethanolic extracts and AgNPs) and 20 μL of the inoculum of V. parahaemolyticus. The MIC for AgNPs was 6.2-9.3 μg/mL and for ethanol extract of 49-73 mg/mL. The Akaike index (AIC) was used to choose the Gompertz model for ethanol extracts of Ep as the best data descriptor (AIC=204.8, 10%; 45.5, 20%, and 204.8, 30%). The Richards model was at AgNPs ethanol extract with AIC=-9.3 (10%), -17.5 (20 and 30%). The MIC calculated for EP extracts with the modified Gompertz model were 20 mg/mL (10% and 20% extract) and 40 mg/mL at 30%, while Richard was winner for AgNPs-synthesized it was 5 μg/mL (10% and 20%) and 8 μg/mL (30%). The solver tool Excel was used for the calculations of the models and inhibition curves against V.parahaemolyticus.Keywords: green synthesis, euphorbia prostata, phenols, flavonoids, bactericide
Procedia PDF Downloads 1062736 Anaerobic Digestion Batch Study of Taxonomic Variations in Microbial Communities during Adaptation of Consortium to Different Lignocellulosic Substrates Using Targeted Sequencing
Authors: Priyanka Dargode, Suhas Gore, Manju Sharma, Arvind Lali
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Anaerobic digestion has been widely used for production of methane from different biowastes. However, the complexity of microbial communities involved in the process is poorly understood. The performance of biogas production process concerning the process productivity is closely coupled to its microbial community structure and syntrophic interactions amongst the community members. The present study aims at understanding taxonomic variations occurring in any starter inoculum when acclimatised to different lignocellulosic biomass (LBM) feedstocks relating to time of digestion. The work underlines use of high throughput Next Generation Sequencing (NGS) for validating the changes in taxonomic patterns of microbial communities. Biomethane Potential (BMP) batches were set up with different pretreated and non-pretreated LBM residues using the same microbial consortium and samples were withdrawn for studying the changes in microbial community in terms of its structure and predominance with respect to changes in metabolic profile of the process. DNA of samples withdrawn at different time intervals with reference to performance changes of the digestion process, was extracted followed by its 16S rRNA amplicon sequencing analysis using Illumina Platform. Biomethane potential and substrate consumption was monitored using Gas Chromatography(GC) and reduction in COD (Chemical Oxygen Demand) respectively. Taxonomic analysis by QIIME server data revealed that microbial community structure changes with different substrates as well as at different time intervals. It was observed that biomethane potential of each substrate was relatively similar but, the time required for substrate utilization and its conversion to biomethane was different for different substrates. This could be attributed to the nature of substrate and consequently the discrepancy between the dominance of microbial communities with regards to different substrate and at different phases of anaerobic digestion process. Knowledge of microbial communities involved would allow a rational substrate specific consortium design which will help to reduce consortium adaptation period and enhance the substrate utilisation resulting in improved efficacy of biogas process.Keywords: amplicon sequencing, biomethane potential, community predominance, taxonomic analysis
Procedia PDF Downloads 5322735 Breast Cancer Risk Factors: A Big Data Analysis of Black and White Women in the USA
Authors: Tejasvi Parupudi, Mochen Li, Lakshya Mittal, Ignacio G. Camarillo, Raji Sundararajan
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With breast cancer becoming a global pandemic, it is very important to assess a woman’s risk profile accurately in a timely manner. Providing an estimate of the risk of developing breast cancer to a woman gives her an opportunity to consider options to decrease this risk. Women at low risk may be suggested yearly screenings whereas women with a high risk of developing breast cancer would be candidates for aggressive surveillance. Fortunately, there is a set of risk factors that are used to predict the probability of a woman being diagnosed with breast cancer in the future. Studying risk factors and understanding how they correlate to cancer is important for early diagnosis, prevention and reducing mortality rates. The effect of crucial risk factors among black and white women was compared in this study. The various risk factors analyzed include breast density, age, cancer in a first-degree relative, menopausal status, body mass index (BMI) and prior breast cancer diagnosis, etc. Breast density, age at first full-term birth and BMI were utilized in this study as important risk factors for the comparison of incidence rates between women of black and white races in the USA. Understanding the differences could lead to the development of solutions to reduce disparity in mortality rates among black women by improving overall access to care.Keywords: big data, breast cancer, risk factors, incidence rates, mortality, race
Procedia PDF Downloads 2752734 Soil Properties and Yam Performance as Influenced by Poultry Manure and Tillage on an Alfisol in Southwestern Nigeria
Authors: E. O. Adeleye
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Field experiments were conducted to investigate the effect of soil tillage techniques and poultry manure application on the soil properties and yam (Dioscorea rotundata) performance in Ondo, southwestern Nigeria for two farming seasons. Five soil tillage techniques, namely ploughing (P), ploughing plus harrowing (PH), manual ridging (MR), manual heaping (MH) and zero-tillage (ZT) each combined with and without poultry manure at the rate of 10 tha-1 were investigated. Data were obtained on soil properties, nutrient uptake, growth and yield of yam. Soil moisture content, bulk density, total porosity and post harvest soil chemical characteristics were significantly (p>0.05) influenced by soil tillage-manure treatments. Addition of poultry manure to the tillage techniques in the study increased soil total porosity, soil moisture content and reduced soil bulk density. Poultry manure improved soil organic matter, total nitrogen, available phosphorous, exchangeable Ca, k, leaf nutrients content of yam, yam growth and tuber yield relative to tillage techniques plots without poultry manure application. It is concluded that the possible deleterious effect of tillage on soil properties, growth and yield of yam on an alfisol in southwestern Nigeria can be reduced by combining tillage with poultry manure.Keywords: poultry manure, tillage, soil chemical properties, yield
Procedia PDF Downloads 4462733 Risk of Cardiovascular Diseases: Evaluation of Serum Lipid Profiles in Urban and Rural Population of Sindh
Authors: Mohsin Ali Baloch, Saira Baloch
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Objective: The aim of this study was to evaluate the levels of serum lipid profiles in Urban and Rural Population of Sindh, to indicate the existing risk of cardiovascular diseases. Material and Methods: Study was conducted at Liaquat University of Medical & Health Sciences, in the cities of Jamshoro and Hyderabad of Sindh. Blood samples from 300 healthy individuals were collected in fasting condition, out them 100 were from rural population, 100 were urban while 100 were used as control group. The biochemistry of these samples was obtained by the analysis of total Cholesterol, high density lipoprotein Cholesterol (HDL), low-density lipoprotein Cholesterol (LDL) and Triglycerides using kit method on Analyzer Clinical Chemistry. Results and Conclusion: Serum levels of total cholesterol, Triglycerides, and LDL cholesterol were significantly raised in the rural and urban males, whereas HDL cholesterol was decreased as compared to the Healthy controls that indicated significant risk of CVD. Urban population was with more risk of CVD and male gender in both groups was at more risk. The worst lipid profile in gender wise distribution was observed in male gender of urban population with highest Total Cholesterol/HDL Ratio while female gender also shown moderate risk of CVD with highest LDL/HDL Ratio.Keywords: cardiovascular diseases, lipid profiles, urban and rural population, LDL/HDL Ratio
Procedia PDF Downloads 4082732 The Reproducibility and Repeatability of Modified Likelihood Ratio for Forensics Handwriting Examination
Authors: O. Abiodun Adeyinka, B. Adeyemo Adesesan
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The forensic use of handwriting depends on the analysis, comparison, and evaluation decisions made by forensic document examiners. When using biometric technology in forensic applications, it is necessary to compute Likelihood Ratio (LR) for quantifying strength of evidence under two competing hypotheses, namely the prosecution and the defense hypotheses wherein a set of assumptions and methods for a given data set will be made. It is therefore important to know how repeatable and reproducible our estimated LR is. This paper evaluated the accuracy and reproducibility of examiners' decisions. Confidence interval for the estimated LR were presented so as not get an incorrect estimate that will be used to deliver wrong judgment in the court of Law. The estimate of LR is fundamentally a Bayesian concept and we used two LR estimators, namely Logistic Regression (LoR) and Kernel Density Estimator (KDE) for this paper. The repeatability evaluation was carried out by retesting the initial experiment after an interval of six months to observe whether examiners would repeat their decisions for the estimated LR. The experimental results, which are based on handwriting dataset, show that LR has different confidence intervals which therefore implies that LR cannot be estimated with the same certainty everywhere. Though the LoR performed better than the KDE when tested using the same dataset, the two LR estimators investigated showed a consistent region in which LR value can be estimated confidently. These two findings advance our understanding of LR when used in computing the strength of evidence in handwriting using forensics.Keywords: confidence interval, handwriting, kernel density estimator, KDE, logistic regression LoR, repeatability, reproducibility
Procedia PDF Downloads 1242731 Development and Validation of a Coronary Heart Disease Risk Score in Indian Type 2 Diabetes Mellitus Patients
Authors: Faiz N. K. Yusufi, Aquil Ahmed, Jamal Ahmad
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Diabetes in India is growing at an alarming rate and the complications caused by it need to be controlled. Coronary heart disease (CHD) is one of the complications that will be discussed for prediction in this study. India has the second most number of diabetes patients in the world. To the best of our knowledge, there is no CHD risk score for Indian type 2 diabetes patients. Any form of CHD has been taken as the event of interest. A sample of 750 was determined and randomly collected from the Rajiv Gandhi Centre for Diabetes and Endocrinology, J.N.M.C., A.M.U., Aligarh, India. Collected variables include patients data such as sex, age, height, weight, body mass index (BMI), blood sugar fasting (BSF), post prandial sugar (PP), glycosylated haemoglobin (HbA1c), diastolic blood pressure (DBP), systolic blood pressure (SBP), smoking, alcohol habits, total cholesterol (TC), triglycerides (TG), high density lipoprotein (HDL), low density lipoprotein (LDL), very low density lipoprotein (VLDL), physical activity, duration of diabetes, diet control, history of antihypertensive drug treatment, family history of diabetes, waist circumference, hip circumference, medications, central obesity and history of CHD. Predictive risk scores of CHD events are designed by cox proportional hazard regression. Model calibration and discrimination is assessed from Hosmer Lemeshow and area under receiver operating characteristic (ROC) curve. Overfitting and underfitting of the model is checked by applying regularization techniques and best method is selected between ridge, lasso and elastic net regression. Youden’s index is used to choose the optimal cut off point from the scores. Five year probability of CHD is predicted by both survival function and Markov chain two state model and the better technique is concluded. The risk scores for CHD developed can be calculated by doctors and patients for self-control of diabetes. Furthermore, the five-year probabilities can be implemented as well to forecast and maintain the condition of patients.Keywords: coronary heart disease, cox proportional hazard regression, ROC curve, type 2 diabetes Mellitus
Procedia PDF Downloads 2192730 Association of Neck Circumference as an Indicator of Upper Body Obesity with Cardio-Metabolic Risk Factors among First Degree Relatives of Diabetes Patients
Authors: Hadi Abdollahi, Bijan Iraj, Maryam Mirpourian, Behzad Shariatifar
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Background: The aim of the present study was to determine the relationship between neck circumferences (NC), as an indicator of upper body obesity, with anthropometric and cardio-metabolic factors among the first degree relatives of diabetes patients. Materials and Methods: This cross-sectional study was performed on first degree relatives of diabetes patients (n = 213). Weight, height, waist circumference (WC), hip circumference (HC), systolic blood pressure (SBP), diastolic blood pressure (DBP) and NC were measured. Laboratory data included oral glucose tolerance test (OGTT) results, high density lipoprotein (HDL), low density lipoprotein, triglyceride (TG) and total cholesterol. Results: There was no difference in NC among different results of OGTT in men or women. Factors including weight, body mass index (BMI), WC and HC were strongly associated with NC in both genders (r = 0.420-0.711). NC was weakly associated with SBP in women (r = 0.195) and moderately with DBP in men (r = 0.314). Regarding lipid profile, HDL and TG were associated with NC only in women (r = −0.268-0.325). Conclusions: NC has a significant correlation with gender and anthropometric variables, including BMI, weight and waist and HCs in both men and women, but it does not differ significantly in patients with different status in OGTT.Keywords: body mass index, cardiovascular, diabetes, neck circumference, obesity
Procedia PDF Downloads 752729 Ab Initio Study of Co2ZrGe and Co2NbB Full Heusler Compounds
Authors: A. Abada, S. Hiadsi, T. Ouahrani, B. Amrani, K. Amara
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Using the first-principles full-potential linearized augmented plane wave plus local orbital (FP-LAPW+lo) method based on density functional theory (DFT), we have investigated the electronic structure and magnetism of some Co2- based full Heusler alloys, namely Co2ZrGe and Co2NbB. The calculations show that these compounds are to be half-metallic ferromagnets (HMFs) with a total magnetic moment of 2.000 µB per formula unit, well consistent with the Slater-Pauling rule. Our calculations show indirect band gaps of 0.58 eV and 0.47 eV in the minority spin channel of density of states (DOS) for Co2ZrGe and Co2NbB, respectively. Analysis of the DOS and magnetic moments indicates that their magnetism is mainly related to the d-d hybridization between the Co and Zr (or Nb) atoms. The half metallicity is found to be robust against volume changes and the two alloys kept a 100% of spin polarization at the Fermi level. In addition, an atom inside molecule AIM formalism and an electron localization function ELF were also adopted to study the bonding properties of these compounds, building a bridge between their electronic and bonding behavior. As they have a good crystallographic compatibility with the lattice of semiconductors used industrially and negative calculated cohesive energies with considerable absolute values these two alloys could be promising magnetic materials in the spintronics field.Keywords: half-metallic ferromagnets, full Heusler alloys, magnetic properties, electronic properties
Procedia PDF Downloads 413