Search results for: chemical graph

Authors: G. Ravi Kiran, G. Radhakrishnamacharya

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This paper investigates the effects of slip boundary condition and wall properties on the dispersion of a solute matter in peristaltic flow of an incompressible micropolar fluid through a porous medium. Long wavelength approximation, Taylor's limiting condition and dynamic boundary conditions at the flexible walls are used to obtain the average effective dispersion coefficient in the presence of combined homogeneous and heterogeneous chemical reactions. The effects of various pertinent parameters on the effective dispersion coefficient are discussed. It is observed that peristalsis enhances dispersion. It also increases with micropolar parameter, cross viscosity coefficient, Darcy number, slip parameter and wall parameters. Further, dispersion decreases with homogenous chemical reaction rate and heterogeneous chemical reaction rate.

Keywords: chemical reaction, dispersion, peristalsis, slip condition, wall properties

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Authors: Yisau Adelaja Odusote, Olakanmi Felix Akinto

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The associative tendency between like atoms in molten Cd-Ga and Cd-In alloy systems has been studied by using the Quasi-Chemical Approximation Model (QCAM). The concentration dependence of the microscopic functions (the concentration-concentration fluctuations in the long-wavelength limits, Scc(0), the chemical short-range order (CSRO) parameter α1 as well as the chemical diffusion) and the mixing properties as the free energy of mixing, GM, enthalpy of mixing and entropy of mixing of the two molten alloys have been determined. Thermodynamic properties of both systems deviate positively from Raoult's law, while the systems are characterized by positive interaction energy. The role of atomic size ratio on the alloying properties was discussed.

Keywords: homo-pairs, interchange energy, enthalpy, entropy, Cd-Ga, Cd-In

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Authors: Bandari Shanker, Alfunsa Prathiba

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The influence of viscous dissipation on MHD Casson 3-D fluid flow in two perpendicular directions past a linearly stretching sheet in the presence of a chemical reaction is explored in this work. For exceptional circumstances, self-similar solutions are obtained and compared to the given data. The enhancement in the values Ecert number the temperature boundary layer increases. Further, the current findings are observed to be in great accord with the existing data. In both directions, non - dimensional velocities and stress distribution are achieved. The relevant data are graphed and explained quantitatively in relation to changes in the Casson fluid parameter as well as other fluid flow parameters.

Keywords: viscous dissipation, 3-D Casson flow, chemical reaction, Ecert number

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Authors: M. Cortés, E. Vera, O. Rojas

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The research studies of the kinetics of the corrosion process that attacks concrete and occurs within sewerage systems agree on the amount of variables that interfere in the process. This study aims to check the impact of the pH levels of the corrosive environment and the concrete surface, the concentrations of chemical sulfuric acid, and in turn, measure the resistance of concrete to this attack under controlled laboratory conditions; it also aims to contribute to the development of further research related to the topic, in order to compare the impact of biogenic sulfuric acid and chemical sulfuric acid involvement on concrete structures, especially in scenarios such as sewerage systems.

Keywords: acid sulfuric, concrete, corrosion, biogenic

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Authors: S. B. Bansode, V. G. Wagh, R. S. Kapadnis, S. S. Kale, M. Pathan Habib

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Indium sulfide films have been deposited using chemical bath deposition onto glass and indium tin oxide coated glass substrates. The influences of different deposition parameters viz. substrate and pH have been studied. The films were characterized by different techniques with respect to their crystal structure, surface morphology and compositional property by means of X-ray diffraction, scanning electron microscopy, Energy dispersive spectroscopy and optical absorption. X-ray diffraction studies revealed that amorphous nature of the films. The scanning electron microscopy of as deposited indium sulfide film on ITO coated glass substrate shows random orientation of grains where as those on glass substrates show dumbbell shape. Optical absorption study revealed that band gap varies from 2.29 to 2.79 eV for the deposited film.

Keywords: chemical bath deposition, optical properties, structural property, Indium sulfide

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Authors: Mahfoud Benzerzour, Mouhamadou Amar, Nor-edine Abriak

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In this study, a sediment was used as a secondary raw material in cement substitution with prior treatment. The treatment adopted is a physical treatment involving grinding and separation to obtain different fractions, using a dry method (1 mm, 250µm, 120µm) and washing method (250µm and 120µm). They were subsequently heat treated at temperatures of 650°C, 750°C and 850°C for 1 hour and 3 hours, in order to enable chemical activation by decarbonation or by pozzolanic activation of the material. Different characterization techniques were performed. The determination of main physical and chemical characteristics was obtained through multiple tests: particle size distribution, specific density, the BET surface area, the initial setting time and hydration heat calorimetry Langavant. The chemical tests include: ATG analysis, X-ray diffractometry (XRD) and X-ray fluorescence (XRF) which were used to quantify the fractions, phases and chemical elements present. Compression tests were performed conforming NF EN 196-1 French standard, over terms of 7 days - 14 days - 28 days and 60 days on all formulated mortars: reference mortar based on 100% CEM I 52.5N binder and cement substituted mortars with 8% and 15% by treated sediment. This clearly evidenced contribution due to the chemical activity which was confirmed by calorimetry monitoring and strength investigation.

Keywords: sediment, characterization, grinding, heat treatment, substitution

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Authors: Ali Akrmi, Mohamed Beji, Ahmed Baklouti, Fatma Djouani, Philippe Lang, Mohamed M. Chehimi

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Poly(vinyl chloride) (PVC) is a highly versatile polymer with excellent balance of properties and numerous applications such as water pipes, packaging and polymer materials of importance in the biomedical sector. However, depending on the applications, it is necessary to modify PVC by mixing with a plasticizer; surface modification using plasma, surface grafting or flame treatment; or bulk chemical modification which affects the entire PVC chains at an extent that can be tuned by the polymer chemist. The targeted applications are improvement of chemical resistance, avoiding or limitation of migration of toxic plasticizers, improvement of antibacterial properties, or control of blood compatibility.

Keywords: poly(vinyl chloride), nucleophilic substitution, sulfonylcarbamates, XPS

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Authors: Min-Hwa Lim, Mi-Jeong Park, Ho-Young Jung

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Imidazolium-brominated polyphenylene oxide (Im-bPPO) is based on the functionalization of bromomethylated poly(2,6-dimethyl-1,4-phenylene oxide) (BPPO) using 1-Methylimdazole. For the purpose of long cycle life of vanadium redox battery (VRB), the chemical stability of Im-bPPO, sPPO (sulfonated 2,6-dimethyl-1,4-phenylene oxide) and Fumatech membranes were evaluated firstly in the 0.1M vanadium (V) solution dissolved in 3M sulfuric acid (H2SO4) for 72h, and UV analyses of the degradation products proved that ether bond in PPO backbone was vulnerable to be attacked by vanadium (V) ion. It was found that the membranes had slightly weight loss after soaking in 2 ml distilled water included in STS pressure vessel for 1 day at 200◦C. ATR-FT-IR data indicated before and after the degradation of the membranes. Further evaluation on the degradation mechanism of the menbranes were carried out in Fenton’s reagent solution for 72 h at 50 ◦C and analyses of the membranes before and after degradation confirmed the weight loss of the membranes. The Fumatech membranes exhibited better performance than AEM and CEM, but Nafion 212 still suffers chemical degradation.

Keywords: vanadium redox flow battery, ion exchange membrane, permeability, degradation, chemical stability

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Authors: Mohamed Mehdi Kadri

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The prediction of hot shale interval in Silurian formation in a well drilled vertically in Ahnet basin Is by logging Data (Resistivity, Gamma Ray, Sonic) with the calculation of total organic carbon (TOC) using ∆ log R Method. The aim of this paper is to present Physico-chemical Properties of Hot Shale using IR spectroscopy and gas chromatography-mass spectrometry analysis; this mixture of measurements, evaluation and characterization show that the hot shale interval located in the lower of Silurian, the molecules adsorbed at the surface of shale sheet are significantly different from petroleum hydrocarbons this result are also supported with gas-liquid chromatography showed that the study extract is a hydroxypropyl.

Keywords: physic-chemical analysis, reservoirs characterization, sweet window evaluation, Silurian shale, Ahnet basin

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Authors: N. K. A. M. Galvão, A. Godoy Jr., A. L. J. Pereira, G. V. Martins, R. S. Pessoa, H. S. Maciel, M. A. Fraga

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Silicon carbide (SiC) is a wide band-gap semiconductor material with very attractive properties, such as high breakdown voltage, chemical inertness, and high thermal and electrical stability, which makes it a promising candidate for several applications, including microelectromechanical systems (MEMS) and electronic devices. In MEMS manufacturing, the etching process is an important step. It has been proved that wet etching of SiC is not feasible due to its high bond strength and high chemical inertness. In view of this difficulty, the plasma etching technique has been applied with paramount success. However, in most of these studies, only the determination of the etching rate and/or morphological characterization of SiC, as well as the analysis of the reactive ions present in the plasma, are lowly explored. There is a lack of results in the literature on the chemical and structural properties of SiC after the etching process [4]. In this work, we investigated the etching process of sputtered amorphous SiC thin films on Si substrates in a reactive ion etching (RIE) system using sulfur hexafluoride (SF6) gas under different RF power. The results of the chemical and structural analyses of the etched films revealed that, for all conditions, a SiC crystallization occurred, in addition to fluoride contamination. In conclusion, we observed that SiC crystallization is a side effect promoted by structural, morphological and chemical changes caused by RIE SF6 etching process.

Keywords: plasma etching, plasma deposition, Silicon Carbide, microelectromechanical systems

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Authors: Nesrin Köken, Esin A. Güvel, Nilgün Kızılcan

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This work presents synthesis of α,ω-dithienyl terminated poly(ethylene glycol) (PEGTh) capable for further chain extension by either chemical or electrochemical polymerization. PEGTh was characterized by FTIR and 1H-NMR. Further, copolymerization of PEGTh and pyrrole (Py) was performed by chemical oxidative polymerization using ceric (IV) salt as an oxidant (PPy-PEGTh). PEG without end group modification was used directly to prepare copolymers with Py by Ce (IV) salt (PPy-PEG). Block copolymers with mole ratio of pyrrole to PEGTh (PEG) 50:1 and 10:1 were synthesized. The electrical conductivities of copolymers PPy-PEGTh and PPy-PEG were determined by four-point probe technique. Influence of the synthetic route and content of the insulating segment on conductivity and yield of the copolymers were investigated.

Keywords: chemical oxidative polymerization, conducting polymer, poly(ethylene glycol), polypyrrole

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Authors: Oscar F. Toro, Alexia Pardo Figueroa, Brigitte M. Larico

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The development of new processes in the textile industry entails designing methodologies to select adequate supplies that fit these new processes requirements. This paper presents a methodology to select chemicals that fulfill a new process technical specifications. The proposed methodology involves three major phases: (1) Data collection of chemical products, (2) Qualitative pre-selection and (3) Laboratory tests. We have applied this methodology to the selection of a binder which will form a protective film above the textile fibers and bond them. Our findings were that, there exist five possible products that can be used in our new process: Arkofil, Elvanol, Size plus A, Size plus AC and Starch. This new methodology has both qualitative and experimental variables, and can be used to select supplies for new textile processes.

Keywords: binder, chemical products, selection methodology, textile supplies, textile fiber

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Authors: Priyanka Lokhande, Ram P. Sawant, Ganesh Kakad, Avinash Kolhatkar

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In order to evaluate the influence of chemical processing on low-stress mechanical properties and fabric hand of worsted cloth, eight worsted suiting fabric samples of balance plain and twill weave were studied. The Kawabata KES-FB system has been used for the measurement of low-stress mechanical properties of before and after chemically processed worsted suiting fabrics. Primary hand values and Total Hand Values (THV) of before and after chemically processed worsted suiting fabrics were calculated using the KES-FB test data. Upon statistical analysis, it is observed that chemical processing has considerable influence on the low-stress mechanical properties and thereby on handle properties of worsted suiting fabrics. Improvement in the Total Hand Values (THV) after chemical processing is experienced in most of fabric samples.

Keywords: low stress mechanical properties, plain and twill weave, total hand value (THV), worsted suiting fabric

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Authors: Meng-Jou Chien, Jheng-Cheng Chen, Chang-Hsiung Tsai

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Let maxζG(m) denote the maximum number of edges in a subgraph of graph G induced by m nodes. The n-dimensional augmented cube, denoted as AQn, a variation of the hypercube, possesses some properties superior to those of the hypercube. We study the cases when G is the augmented cube AQn.

Keywords: interconnection network, augmented cube, induced subgraph, bisection width

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Authors: B. Bouktif, M. Gaidi, M. Benrabha

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Metal-nano particle-assisted chemical etching is an extraordinary developed wet etching method of producing uniform semiconductor nanostructure (nanowires) from the patterned metallic film on the crystalline silicon surface. The metal films facilitate the etching in HF and H2O2 solution and produce silicon nanowires (SiNWs). Creation of different SiNWs morphologies by changing the etching time and its effects on optical and optoelectronic properties was investigated. Combination effect of formed SiNWs and stain etching treatment in acid (HF/HNO3/H2O) solution on the surface morphology of Si wafers as well as on the optical and optoelectronic properties are presented in this paper.

Keywords: semiconductor nanostructure, chemical etching, optoelectronic property, silicon surface

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Authors: Mohammadreza Akbari, Pooya Soleimani Besheli, Reza khalili, Sara Akbari, Davood Domiri Ganji

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In this symposium, our aims are accuracy, capabilities and power at solving of the complicate non-linear differential at the reaction chemical in the catalyst reactor (heterogeneous reaction). Our purpose is to enhance the ability of solving the mentioned nonlinear differential equations at chemical engineering and similar issues with a simple and innovative approach which entitled ‘’Akbari-Ganji's Method’’ or ‘’AGM’’. In this paper we solve many examples of nonlinear differential equations of chemical reactions and its investigate. The chemical reactor with the energy changing (non-isotherm) in two reactors of mixed and plug are separately studied and the nonlinear differential equations obtained from the reaction behavior in these systems are solved by a new method. Practically, the reactions with the energy changing (heat or cold) have an important effect on designing and function of the reactors. This means that possibility of reaching the optimal conditions of operation for the maximum conversion depending on nonlinear nature of the reaction velocity toward temperature, results in the complexity of the operation in the reactor. In this case, the differential equation set which governs the reactors can be obtained simultaneous solution of mass equilibrium and energy and temperature changing at concentration.

Keywords: new method (AGM), nonlinear differential equation, tubular and mixed reactors, catalyst bed

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Authors: G. Disciglio, G. Gatta, A. Libutti, A. Tarantino, L. Frabboni, E. Tarantino

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Results of a field study carried out at Trinitapoli (Puglia region, southern Italy) on the irrigation of an artichoke crop with three types of water (secondary-treated wastewater, SW; tertiary-treated wastewater, TW; and freshwater, FW) are reported. Physical, chemical and microbiological analyses were performed on the irrigation water, and on soil and yield samples. The levels of most of the chemical parameters, such as electrical conductivity, total suspended solids, Na+, Ca2+, Mg+2, K+, sodium adsorption ratio, chemical oxygen demand, biological oxygen demand over 5 days, NO3 –N, total N, CO32, HCO3, phenols and chlorides of the applied irrigation water were significantly higher in SW compared to GW and TW. No differences were found for Mg2+, PO4-P, K+ only between SW and TW. Although the chemical parameters of the three irrigation water sources were different, few effects on the soil were observed. Even though monitoring of Escherichia coli showed high SW levels, which were above the limits allowed under Italian law (DM 152/2006), contamination of the soil and the marketable yield were never observed. Moreover, no Salmonella spp. were detected in these irrigation waters; consequently, they were absent in the plants. Finally, the data on the quantitative-qualitative parameters of the artichoke yield with the various treatments show no significant differences between the three irrigation water sources. Therefore, if adequately treated, municipal wastewater can be used for irrigation and represents a sound alternative to conventional water resources.

Keywords: artichoke, soil chemical characteristics, fecal indicators, treated municipal wastewater, water recycling

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Authors: Zerrin Erginkaya, Gözde Konuray

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Microbial degradation of foods is defined as a decrease of food safety due to microorganism activity. Organic acids, sulfur dioxide, sulfide, nitrate, nitrite, dimethyl dicarbonate and several preservative gases have been used as chemical preservatives in foods as well as natural preservatives which are indigenous in foods. It is determined that usage of herbal preservatives such as blueberry, dried grape, prune, garlic, mustard, spices inhibited several microorganisms. Moreover, it is determined that animal origin preservatives such as whey, honey, lysosomes of duck egg and chicken egg, chitosan have antimicrobial effect. Other than indigenous antimicrobials in foods, antimicrobial agents produced by microorganisms could be used as natural preservatives. The antimicrobial feature of preservatives depends on the antimicrobial spectrum, chemical and physical features of material, concentration, mode of action, components of food, process conditions, and pH and storage temperature. In this review, studies about antimicrobial components which are indigenous in food (such as herbal and animal origin antimicrobial agents), antimicrobial materials synthesized by microorganisms, and their usage as an antimicrobial agent to preserve foods are discussed.

Keywords: animal origin preservatives, antimicrobial, chemical preservatives, herbal preservatives

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Authors: Smain Amiraa, Hocine Laouerb, Fatima Benchikh-Amiraa, Guido Flaminic

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The aerial parts of Sideritis incana and Calamintha hispidula at the flowering stage were submitted to hydrodistillation in a Clevenger–type apparatus for 3 hours and the chemical composition of the essential oil was analyzed by GC coupled to GC-MS. The essential oil contained a total of 99 constituents for S. incana and 31 for C. hispidula representing 95.7% and 99.6 of the total oils, rerspectively. The mains components of S. incana oil were linalool (25.2), cedrol (13.7%), geraniol (7%) and α-terpineol (5.4%). The chemical constituents of the oil from C. hispidula were predominated by pulegone (43.2%), isomenthone (36%), piperitone (3.2%), limonene (2.6%) and 4-terpineol (2.5%). The results revealed that the oil of the plants is characterized by the presence of many important components which could be applied in food, pharmaceutical and perfume industry.

Keywords: essential oils, Calamintha hispidula, Sideritis incana, chemical and molecular engineering

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Authors: Dong Nyoung Heo, Il Keun Kwon

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Three-dimensional (3D) technology is a promising method for bone tissue engineering. In order to enhance bone tissue regeneration, it is important to have ideal 3D constructs with biomimetic mechanical strength, structure interconnectivity, roughened surface, and the presence of chemical functionality. In this respect, a 3D printing system combined with cold atmospheric plasma (CAP) was developed to fabricate a 3D construct that has a rough surface with polar functional chemical groups. The CAP-etching process leads to oxidation of chemical groups existing on the polycaprolactone (PCL) surface without conformational change. The surface morphology, chemical composition, mean roughness of the CAP-treated PCL surfaces were evaluated. 3D printed constructs composed of CAP-treated PCL showed an effective increment in the hydrophilicity and roughness of the PCL surface. Also, an in vitro study revealed that CAP-treated 3D PCL constructs had higher cellular behaviors such as cell adhesion, cell proliferation, and osteogenic differentiation. Therefore, a 3D printing system with CAP can be a highly useful fabrication method for bone tissue regeneration.

Keywords: bone tissue engineering, cold atmospheric plasma, PCL, 3D printing

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Authors: Khamael M. Abualnaja, Lidija Šiller, Benjamin R. Horrocks

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Alkylated silicon nanocrystals (C11-SiNCs) were prepared successfully by galvanostatic etching of p-Si(100) wafers followed by a thermal hydrosilation reaction of 1-undecene in refluxing toluene in order to extract C11-SiNCs from porous silicon. Erbium trichloride was added to alkylated SiNCs using a simple mixing chemical route. To the best of our knowledge, this is the first investigation on mixing SiNCs with erbium ions (III) by this chemical method. The chemical characterization of C11-SiNCs and their mixtures with Er3+ (Er/C11-SiNCs) were carried out using X-ray photoemission spectroscopy (XPS). The optical properties of C11-SiNCs and their mixtures with Er3+ were investigated using Raman spectroscopy and photoluminescence (PL). The erbium-mixed alkylated SiNCs shows an orange PL emission peak at around 595 nm that originates from radiative recombination of Si. Er/C11-SiNCs mixture also exhibits a weak PL emission peak at 1536 nm that originates from the intra-4f transition in erbium ions (Er3+). The PL peak of Si in Er/C11-SiNCs mixture is increased in the intensity up to three times as compared to pure C11-SiNCs. The collected data suggest that this chemical mixing route leads instead to a transfer of energy from erbium ions to alkylated SiNCs.

Keywords: photoluminescence, silicon nanocrystals, erbium, Raman spectroscopy

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Authors: Christoph Opperer

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Space syntax is a theory and method for analyzing the spatial layout of buildings and urban environments to understand how they can influence patterns of human movement, social interaction, and behavior. While direct visibility is a key factor in space syntax research, important visual information such as light, color, texture, etc., are typically not considered, even though psychological studies have shown a strong correlation to the human perceptual experience within physical space – with light and color, for example, playing a crucial role in shaping the perception of spaciousness. Furthermore, these surface properties are often the visual features that are most salient and responsible for drawing attention to certain elements within the environment. This paper explores the potential of integrating these factors into general space syntax methods and visibility-based analysis of space, particularly for architectural spatial layouts. To this end, we use a combination of geometric (isovist) and topological (visibility graph) approaches together with image-based methods, allowing a comprehensive exploration of the relationship between spatial geometry, visual aesthetics, and human experience. Custom-coded ray-tracing techniques are employed to generate spherical panorama images, encoding three-dimensional spatial data in the form of two-dimensional images. These images are then processed through computer vision algorithms to generate saliency-maps, which serve as a visual representation of areas most likely to attract human attention based on their visual properties. The maps are subsequently used to weight the vertices of isovists and the visibility graph, placing greater emphasis on areas with high saliency. Compared to traditional methods, our weighted visibility analysis introduces an additional layer of information density by assigning different weights or importance levels to various aspects within the field of view. This extends general space syntax measures to provide a more nuanced understanding of visibility patterns that better reflect the dynamics of human attention and perception. Furthermore, by drawing parallels to traditional isovist and VGA analysis, our weighted approach emphasizes a crucial distinction, which has been pointed out by Ervin and Steinitz: the difference between what is possible to see and what is likely to be seen. Therefore, this paper emphasizes the importance of including surface properties in visibility-based analysis to gain deeper insights into how people interact with their surroundings and to establish a stronger connection with human attention and perception.

Keywords: space syntax, visibility analysis, isovist, visibility graph, visual features, human perception, saliency detection, raytracing, spherical images

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Authors: C. M. Nur Syazwani, M. K. Ahmad Imran, Rizal E. M. Nasir

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The study on BWB UV begins in UiTM since 2005 and three designs have been studied and published. The latest designs are Baseline-III and inspired by birds that have features and aerodynamics behaviour of cruising birds without flapping capability. The aircraft featuring planform and configuration are similar to the bird. Baseline-III has major flaws particularly in its low lift-to-drag ratio, stability and issues regarding limited controllability. New design known as Baseline-IV replaces straight, swept wing to delta wing and have a broader tail compares to the Baseline-III’s. The objective of the study is to investigate aerodynamics of Baseline-IV bird-inspired BWB aircraft. This will be achieved by theoretical calculation and wind tunnel experiments. The result shows that both theoretical and wind tunnel experiments of Baseline-IV graph of CL and CD versus alpha are quite similar to each other in term of pattern of graph slopes and values. Baseline-IV has higher lift coefficient values at wide range of angle of attack compares to Baseline-III. Baseline-IV also has higher maximum lift coefficient, higher maximum lift-to-drag and lower parasite drag. It has stable pitch moment versus lift slope but negative moment at zero lift for zero angle-of-attack tail setting. At high angle of attack, Baseline-IV does not have stability reversal as shown in Baseline-III. Baseline-IV is proven to have improvements over Baseline-III in terms of lift, lift-to-drag ratio and pitch moment stability at high angle-of-attack.

Keywords: blended wing-body, bird-inspired blended wing-body, aerodynamic, stability

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Authors: Rasaq Kareem, Jacob Gbadeyan

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In this study, analysis of the entropy generation of an unsteady reactive hydromagnetic generalized couette fluid flow of a two-step exothermic chemical reaction through a channel with isothermal wall temperature under the influence of different chemical kinetics namely: Sensitized, Arrhenius and Bimolecular kinetics was investigated. The modelled nonlinear dimensionless equations governing the fluid flow were simplified and solved using the combined Laplace Differential Transform Method (LDTM). The effects of fluid parameters associated with the problem on the fluid temperature, entropy generation rate and Bejan number were discussed and presented through graphs.

Keywords: couette, entropy, exothermic, unsteady

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Authors: Ho-Won Jung, Donghun Lee, Hyung-Jin Kim

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Predictive analytics (data analysis) uses a subset of measurements (the features, predictor, or independent variable) to predict another measurement (the outcome, target, or dependent variable) on a single person or unit. It applies empirical methods in statistics, operations research, and machine learning to predict the future, or otherwise unknown events or outcome on a single or person or unit, based on patterns in data. Most analyses of metabolic syndrome are not predictive analytics but statistical explanatory studies that build a proposed model (theory building) and then validate metabolic syndrome predictors hypothesized (theory testing). A proposed theoretical model forms with causal hypotheses that specify how and why certain empirical phenomena occur. Predictive analytics and explanatory modeling have their own territories in analysis. However, predictive analytics can perform vital roles in explanatory studies, i.e., scientific activities such as theory building, theory testing, and relevance assessment. In the context, this study is to demonstrate how to use our predictive analytics to support theory building (i.e., hypothesis generation). For the purpose, this study utilized a big data predictive analytics platform TM based on a co-occurrence graph. The co-occurrence graph is depicted with nodes (e.g., items in a basket) and arcs (direct connections between two nodes), where items in a basket are fully connected. A cluster is a collection of fully connected items, where the specific group of items has co-occurred in several rows in a data set. Clusters can be ranked using importance metrics, such as node size (number of items), frequency, surprise (observed frequency vs. expected), among others. The size of a graph can be represented by the numbers of nodes and arcs. Since the size of a co-occurrence graph does not depend directly on the number of observations (transactions), huge amounts of transactions can be represented and processed efficiently. For a demonstration, a total of 13,254 metabolic syndrome training data is plugged into the analytics platform to generate rules (potential hypotheses). Each observation includes 31 predictors, for example, associated with sociodemographic, habits, and activities. Some are intentionally included to get predictive analytics insights on variable selection such as cancer examination, house type, and vaccination. The platform automatically generates plausible hypotheses (rules) without statistical modeling. Then the rules are validated with an external testing dataset including 4,090 observations. Results as a kind of inductive reasoning show potential hypotheses extracted as a set of association rules. Most statistical models generate just one estimated equation. On the other hand, a set of rules (many estimated equations from a statistical perspective) in this study may imply heterogeneity in a population (i.e., different subpopulations with unique features are aggregated). Next step of theory development, i.e., theory testing, statistically tests whether a proposed theoretical model is a plausible explanation of a phenomenon interested in. If hypotheses generated are tested statistically with several thousand observations, most of the variables will become significant as the p-values approach zero. Thus, theory validation needs statistical methods utilizing a part of observations such as bootstrap resampling with an appropriate sample size.

Keywords: explanatory modeling, metabolic syndrome, predictive analytics, theory building

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Authors: M. Unis, S. Turky, A. Elalem, A. Meshrghi

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The Esterification kinetics of acetic acid with isopropnol in the presence of sulfuric acid as a homogenous catalyst was studied with isothermal batch experiments at 60,70 and 80°C and at a different molar ratio of isopropnol to acetic acid. Investigation of kinetics of the reaction indicated that the low of molar ratio is favored for esterification reaction, this is due to the reaction is catalyzed by acid. The maximum conversion, approximately 60.6% was obtained at 80°C for molar ratio of 1:3 acid : alcohol. It was found that increasing temperature of the reaction, increases the rate constant and conversion at a certain mole ratio, that is due to the esterification is exothermic. The homogenous reaction has been described with simple power-law model. The chemical equilibrium combustion calculated from the kinetic model in agreement with the measured chemical equilibrium.

Keywords: artificial flavors, esterification, chemical equilibria, isothermal

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Authors: Wenjun Hou, Marek Perkowski

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The Traveling Salesman problem is famous in computing and graph theory. In short, it asks for the Hamiltonian cycle of the least total weight in a given graph with N nodes. All variations on this problem, such as those with K-bounded-degree nodes, are classified as NP-complete in classical computing. Although several papers propose theoretical high-level designs of quantum algorithms for the Traveling Salesman Problem, no quantum circuit implementation of these algorithms has been created up to our best knowledge. In contrast to previous papers, the goal of this paper is not to optimize some abstract complexity measures based on the number of oracle iterations, but to be able to evaluate the real circuit and time costs of the quantum computer. Using the emerging quantum programming language Q# developed by Microsoft, which runs quantum circuits in a quantum computer simulation, an implementation of the bounded-degree problem and its respective quantum circuit were created. To apply Grover’s algorithm to this problem, a quantum oracle was designed, evaluating the cost of a particular set of edges in the graph as well as its validity as a Hamiltonian cycle. Repeating the Grover algorithm with an oracle that finds successively lower cost each time allows to transform the decision problem to an optimization problem, finding the minimum cost of Hamiltonian cycles. N log₂ K qubits are put into an equiprobablistic superposition by applying the Hadamard gate on each qubit. Within these N log₂ K qubits, the method uses an encoding in which every node is mapped to a set of its encoded edges. The oracle consists of several blocks of circuits: a custom-written edge weight adder, node index calculator, uniqueness checker, and comparator, which were all created using only quantum Toffoli gates, including its special forms, which are Feynman and Pauli X. The oracle begins by using the edge encodings specified by the qubits to calculate each node that this path visits and adding up the edge weights along the way. Next, the oracle uses the calculated nodes from the previous step and check that all the nodes are unique. Finally, the oracle checks that the calculated cost is less than the previously-calculated cost. By performing the oracle an optimal number of times, a correct answer can be generated with very high probability. The oracle of the Grover Algorithm is modified using the recalculated minimum cost value, and this procedure is repeated until the cost cannot be further reduced. This algorithm and circuit design have been verified, using several datasets, to generate correct outputs.

Keywords: quantum computing, quantum circuit optimization, quantum algorithms, hybrid quantum algorithms, quantum programming, Grover’s algorithm, traveling salesman problem, bounded-degree TSP, minimal cost, Q# language

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Authors: Varun Mittal, Shishir Sinha

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The present experimental study focused on the hardness behavior of bagasse fiber-epoxy composites. The relationship between bagasse fiber content and effect of chemical treatment on bagasse fiber as a function of Brinell hardness of bagasse fiber epoxy was investigated. Bagasse fiber was treated with sodium hydroxide followed by acrylic acid before they were reinforced with epoxy resin. Compared hardness properties with the untreated bagasse filled epoxy composites. It was observed that Brinell hardness increased up to 15 wt% fiber content and further decreases, however, chemical treatment also improved the hardness properties of composites.

Keywords: bagasse fiber, composite, hardness, sodium hydroxide

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Authors: Wanthani Paengsri, Thanyarat Chuesaard, Napapha Promsawan

Abstract:

Spilanthes acmella Murr. was extracted with methanol, yielding methanol crude extract 5.86 %w/w. This study aimed to examine the chemical composition and antioxidant activity of methanolic crude extract. The chemical composition of methanolic crude extract was analyzed by gas chromatography-mass spectrometry (GC-MS). The predominant components were found to be palmitic acid (40.08%), 2-hexadecanoyl glycerol (6.96%) and octadecanoic acid (4.06%). Antioxidant activity was determined using 2,2-diphenyl-1-picryl hydrazyl (DPPH) free radical, for evaluating free radicle scavenging activity. The methanolic extract at 150 µg/mL showed an antioxidant activity with high of radical scavenging activity (75.23%).

Keywords: antioxidant activity, GC-MS analysis, Spilanthes, Phak-Kratt Hauwaen

Procedia PDF Downloads 531

Authors: Mona M. Marzouk, Ahmed Elkhateeb, Mona Elshabrawy, Mai M. Farid, Salwa A. Kawashty, EL-Sayed S. Abdel-Hameed, Sameh R. Hussein

Abstract:

The genus Farsetia Turra belongs to the family Brassicaceae and has approximately 30 accepted species distributed worldwide. Amongst them, Farsetia aegyptia Turra and Farsetia longisiliqua Decne. are two common species characteristic to the Egyptian flora. The present study considers the first characterization of the chemical constituents of F. longisiliqua, aiming to compare with those identified from the medicinal species (F. aegyptia). Additionally, the chemosystematic relationships between the two studied species were evaluated and highlight the medicinal importance for F. longisiliqua. The chemical profiling of their aqueous methanol extracts were carried out using the LC-ESI-MS technique and afforded 54 compounds belonging to different chemical groups. Flavonoids are the major constituents and are represented by 32 compounds (two C-glycosyl flavone, four flavones, and 26 flavonols). Their structural variations and common constituents confirmed the chemosystematic significance of the two species. Moreover, the flavonoid profiles showed major common constituents between the two investigated species, which predicted the medicinal importance of F. longisiliqua.

Keywords: brassicaceae, chemosystematics, farsetia, flavonoids, glucosinolates, LC-ESI-MS

Procedia PDF Downloads 209