Search results for: superheated steam temperature control
3324 Prevalence and Determinants of Hypertension among the Santal Indigenous Group in Bangladesh
Authors: Sharmin Sultana, Palash Chandra Banik, Shirin Jahan Mumu, Liaquat Ali
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Santals are one of the oldest indigenous groups of South Asia who, according to anthropological evidence, are thought to be the origins of the Bengali race. The aim of the study was to explore, according to our best knowledge for the first time, the prevalence and determinants of hypertension in this relatively isolated and marginalized indigenous group who still live mostly in a traditional style. Under a cross-sectional analytical design, the study was conducted on the adult (age≥18 years) Santals (n=389, M/F 184/205, age in years, 38±15.3) of a village located in a remote rural area of northern Bangladesh. Subjects were selected by purposive sampling, and data were collected by interviewer-administered pretested questionnaire. Blood pressure was measured by following the WHO guideline of JNC-7 has been used to classify the blood pressure. The prevalence of hypertension was 4.9% among the respondents. Females had a much higher prevalence (5.4%) of hypertension compared to males (4.3%). Among the risk indicators of hypertension, more than half (50.9%) of the study population took extra salt in their meals, whereas 10.5% of respondents used extra salt occasionally, which is an important risk factor for high blood pressure. High waist circumference was found in 19% of the study subjects in terms of central obesity. Older age group (p=0.003, OR=1.1, 95%CI-1.02-1.10), respondents who completed more than primary school (p=0.038, OR=7.1, CI-1.11, 44.6), overweight and obesity (p=0.004, OR=17.1, CI-2.5, 118.1), were the major determinant for hypertension as found from the binary logistic model. None of the respondents received any medication, neither they visit any doctor ever for their hypertension control. The prevalence of hypertension was found to be low but not ignorable. Pre-hypertension in the case of systolic blood pressure needs attention among Santal indigenous population.Keywords: hypertension, indigenous group, Santals, Bangladesh
Procedia PDF Downloads 1093323 An Experimental Study of Self-Regulated Learning with High School Gifted Pupils
Authors: Prakash Singh
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Research studies affirm the view that gifted pupils are endowed with unique personality traits, enabling them to study at higher levels of thinking, at a faster pace, and with a greater degree of autonomy than their average counterparts. The focus of this study was whether high school gifted pupils are capable of studying an advanced level curriculum on their own by employing self-regulated learning (SRL) strategies. To be self-regulated, pupils are required to be metacognitively, motivationally, and behaviourally active participants in their own learning processes so that they are able to initiate and direct their personal curriculum efforts to acquire cognitive skills and knowledge, instead of being solely reliant on their teachers. Researchers working with gifted populations concede that limited studies have been conducted thus far to examine gifted pupils’ expertise in using SRL strategies to assume ownership of their learning. In order to conduct this investigation, an enriched module in Accounting for specifically gifted grade eleven pupils was developed, incorporating advanced level content, and use was made of the Post-test-Only Control Group Design to accomplish this research objective. The results emanating from this empirical study strongly suggest that SRL strategies can be employed to overcome a narrow, rigid approach that limits the education of gifted pupils in the regular classroom of the high school. SRL can meaningfully offer an alternative way to implement an advanced level curriculum for the gifted in the mainstream of education. This can be achieved despite the limitations of differentiation in the regular classroom.Keywords: advanced level curriculum, high school gifted pupils, self-regulated learning, teachers’ professional competencies
Procedia PDF Downloads 4033322 Employing a System of Systems Approach in the Maritime RobotX Challenge: Incorporating Information Technology Students in the Development of an Autonomous Catamaran
Authors: Adam Jenkins
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The Maritime RobotX Challenge provides a platform for postgraduate students conducting research in autonomous robotic systems to participate in an international competition. Although targeted to postgraduate students, the problem domain lends itself to a wide range of different levels of student expertise. In 2022, undergraduate Information Technology students from the University of South Australia undertook the challenge, utilizing a System of the Systems approach to the project's architecture. Each student group produced an independent solution to an identified task, which was then implemented on a Single Board Computer (SBC). A Central Control System then engaged each solution when appropriate, allowing the encapsulated SBC systems to manage each task as it was encountered. This approach facilitated collaboration among the multiple independent student teams over an 18-month period, and the fundamental system-agnostic architecture allowed for both the variance in student solutions and the limitations caused by the global electronics shortage. By adopting this approach, Information Technology teams were able to work independently yet produce an effective solution, leveraging their expertise to develop and construct an autonomous catamaran capable of meeting the competition's demanding requirements while producing a high level of engagement. The System of Systems approach is recommended to other universities interested in competing at this level and engaging students in a real-world problem.Keywords: case study, robotics, education, programming, system of systems, multi-disciplinary collaboration
Procedia PDF Downloads 773321 The Clinical Use of Ahmed Valve Implant as an Aqueous Shunt for Control of Uveitic Glaucoma in Dogs
Authors: Khaled M. Ali, M. A. Abdel-Hamid, Ayman A. Mostafa
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Objective: Safety and efficacy of Ahmed glaucoma valve implantation for the management of uveitis induced glaucoma evaluated on the five dogs with uncontrollable glaucoma. Materials and Methods: Ahmed Glaucoma Valve (AGV®; New World Medical, Rancho Cucamonga, CA, USA) is a flow restrictive, non-obstructive self-regulating valve system. Preoperative ocular evaluation included direct ophthalmoscopy and measurement of the intraocular pressure (IOP). The implant was examined and primed prior to implantation. The selected site of the valve implantation was the superior quadrant between the superior and lateral rectus muscles. A fornix-based incision was made through the conjunectiva and Tenon’s capsule. A pocket is formed by blunt dissection of Tenon’s capsule from the episclera. The body of the implant was inserted into the pocket with the leading edge of the device around 8-10 mm from the limbus. Results: No post operative complications were detected in the operated eyes except a persistent corneal edema occupied the upper half of the cornea in one case. Hyphaema was very mild and seen only in two cases which resolved quickly two days after surgery. Endoscopical evaluation for the operated eyes revealed a normal ocular fundus with clearly visible optic papilla, tapetum and retinal blood vessels. No evidence of hemorrhage, infection, adhesions or retinal abnormalities was detected. Conclusion: Ahmed glaucoma valve is safe and effective implant for treatment of uveitic glaucoma in dogs.Keywords: Ahmed valve, endoscopy, glaucoma, ocular fundus
Procedia PDF Downloads 5903320 Effects of Clozapine and Risperidone Antipsychotic Drugs on the Expression of CACNA1C and Behavioral Changes in Rat ‘Ketamine Model of Schizophrenia
Authors: Mehrnoosh Azimi Sanavi, Hamed Ghazvini, Mehryar Zargari, Hossein Ghalehnoei, Zahra Hosseini-khah
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Objectives: Calcium Voltage-Gated Channel Subunit Alpha1 C (CACNA1C) is one of the most important genes associated with schizophrenia. Methods: 45 male Wistar rats were divided into 5 groups: saline, control, ketamine, clozapine, and risperidone. Animals in ketamine, risperidone, and clozapine groups received ketamine (30 mg/ kg-i.p.) for 10 days. After the last injection of ketamine, we started injecting clozapine (7.5 mg/kg-i.p.) risperidone (1 mg/kg-i.p.) for up to 28 days. Twenty-four hours after the last injection, open field, social interaction, and elevated plus-maze tests, and gene expression in the hippocampus were performed. Results: The results of the social interaction test revealed a significant decrease in cumulative time with ketamine compared with the saline group and an increase with clozapine and risperidone compared with the ketamine group. Moreover, results from the elevated plus-maze test demonstrated a critical decrease in open-arm time and an increase in close-arm time with ketamine compared with saline, as well as an increase in open-arm time with risperidone compared with ketamine. Further results revealed a significant increase in rearing and grooming with ketamine compared to saline, as well as a decrease with risperidone and clozapine compared to ketamine. There were no significant differences in CACNA1C gene expression between groups in the rat hippocampus. In brief, the results of this study indicated that clozapine and risperidone could partially improve cognitive impairments in the rat. However, our findings demonstrated that this treatment is not related to CACNA1C gene expression.Keywords: schizophrenia, ketamine, clozapine, risperidone
Procedia PDF Downloads 633319 Expression of Gro-El under Phloem-Specific Promoter Protects Transgenic Plants against Diverse Begomovirus-Beta Satellite Complex
Authors: Muhammad Yousaf Ali, Shahid Mansoor, Javeria Qazi, Imran Amin, Musarrat Shaheen
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Cotton leaf curl disease (CLCuD) is the major threat to the cotton crop and is transmitted by whitefly (Bemisia tabaci). Since multiple begomoviruses and associated satellites are involved in CLCuD, approaches based on the concept of broad-spectrum resistance are essential for effective disease control. Gro-El and G5 are two proteins from whitefly endosymbiont and M13 bacteriophage origin, respectively. Gro-El encapsulates the virus particle when it enters the whitefly and protects the virus from the immune system of the whitefly as well as prevents viral expression in it. This characteristic of Gro-El can be exploited to get resistance against viruses if expressed in plants. G5 is a single-stranded DNA binding protein, expression of which in transgenic plants will stop viral expression on its binding with ssDNA. The use of tissue-specific promoters is more efficient than constitutive promoters. Transgenics of Nicotiana benthamiana for Gro-El under constitutive promoter and Gro-El under phloem specific promoter were made. In comparison to non-transgenic plants, transgenic plants with Gro-El under NSP promoter showed promising results when challenged against cotton leaf curl Multan virus (CLCuMuV) along with cotton leaf curl Multan beta satellite (CLCuMB), cotton leaf curl Khokhran virus (CLCuKoV) along with cotton leaf curl Multan beta satellite (CLCuMB) and Pedilenthus leaf curl virus (PedLCV) along with Tobacco leaf curl beta satellite (TbLCB).Keywords: cotton leaf curl disease, whitefly, endosymbionts, transgenic, resistance
Procedia PDF Downloads 983318 Field-Free Orbital Hall Current-Induced Deterministic Switching in the MO/Co₇₁Gd₂₉/Ru Structure
Authors: Zelalem Abebe Bekele, Kun Lei, Xiukai Lan, Xiangyu Liu, Hui Wen, Kaiyou Wang
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Spin-polarized currents offer an efficient means of manipulating the magnetization of a ferromagnetic layer for big data and neuromorphic computing. Research has shown that the orbital Hall effect (OHE) can produce orbital currents, potentially surpassing the counter spin currents induced by the spin Hall effect. However, it’s essential to note that orbital currents alone cannot exert torque directly on a ferromagnetic layer, necessitating a conversion process from orbital to spin currents. Here, we present an efficient method for achieving perpendicularly magnetized spin-orbit torque (SOT) switching by harnessing the localized orbital Hall current generated from a Mo layer within a Mo/CoGd device. Our investigation reveals a remarkable enhancement in the interface-induced planar Hall effect (PHE) within the Mo/CoGd bilayer, resulting in the generation of a z-polarized planar current for manipulating the magnetization of CoGd layer without the need for an in-plane magnetic field. Furthermore, the Mo layer induces out-of-plane orbital current, boosting the in-plane and out-of-plane spin polarization by converting the orbital current into spin current within the dual-property CoGd layer. At the optimal Mo layer thickness, a low critical magnetization switching current density of 2.51×10⁶ A cm⁻² is achieved. This breakthrough opens avenues for all-electrical control energy-efficient magnetization switching through orbital current, advancing the field of spin-orbitronics.Keywords: spin-orbit torque, orbital hall effect, spin hall current, orbital hall current, interface-generated planar hall current, anisotropic magnetoresistance
Procedia PDF Downloads 583317 Application of Carbon Nanotubes as Cathodic Corrosion Protection of Steel Reinforcement
Authors: M. F. Perez, Ysmael Verde, B. Escobar, R. Barbosa, J. C. Cruz
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Reinforced concrete is one of the most important materials in the construction industry. However, in recent years the durability of concrete structures has been a worrying problem, mainly due to corrosion of reinforcing steel; the consequences of corrosion in all cases lead to shortening of the life of the structure and decrease in quality of service. Since the emergence of this problem, they have implemented different methods or techniques to reduce damage by corrosion of reinforcing steel in concrete structures; as the use of polymeric materials as coatings for the steel rod, spiked inhibitors of concrete during mixing, among others, presenting different limitations in the application of these methods. Because of this, it has been used a method that has proved effective, cathodic protection. That is why due to the properties attributed to carbon nanotubes (CNT), these could act as cathodic corrosion protection. Mounting a three-electrode electrochemical cell, carbon steel as working electrode, saturated calomel electrode (SCE) as the reference electrode, and a graphite rod as a counter electrode to close the system is performed. Samples made were subjected to a cycling process in order to compare the results in the corrosion performance of a coating composed of CNT and the others based on an anticorrosive commercial painting. The samples were tested at room temperature using an electrolyte consisting NaCl and NaOH simulating the typical pH of concrete, ranging from 12.6 to 13.9. Three test samples were made of steel rod, white, with commercial anticorrosive paint and CNT based coating; delimiting the work area to a section of 0.71 cm2. Tests cyclic voltammetry and linear voltammetry electrochemical spectroscopy each impedance of the three samples were made with a window of potential vs SCE 0.7 -1.7 a scan rate of 50 mV / s and 100 mV / s. The impedance values were obtained by applying a sine wave of amplitude 50 mV in a frequency range of 100 kHz to 100 MHz. The results obtained in this study show that the CNT based coating applied to the steel rod considerably decreased the corrosion rate compared to the commercial coating of anticorrosive paint, because the Ecorr was passed increase as the cycling process. The samples tested in all three cases were observed by light microscopy throughout the cycling process and micrographic analysis was performed using scanning electron microscopy (SEM). Results from electrochemical measurements show that the application of the coating containing carbon nanotubes on the surface of the steel rod greatly increases the corrosion resistance, compared to commercial anticorrosive coating.Keywords: anticorrosive, carbon nanotubes, corrosion, steel
Procedia PDF Downloads 4803316 The Emergence of Memory at the Nanoscale
Authors: Victor Lopez-Richard, Rafael Schio Wengenroth Silva, Fabian Hartmann
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Memcomputing is a computational paradigm that combines information processing and storage on the same physical platform. Key elements for this topic are devices with an inherent memory, such as memristors, memcapacitors, and meminductors. Despite the widespread emergence of memory effects in various solid systems, a clear understanding of the basic microscopic mechanisms that trigger them is still a puzzling task. We report basic ingredients of the theory of solid-state transport, intrinsic to a wide range of mechanisms, as sufficient conditions for a memristive response that points to the natural emergence of memory. This emergence should be discernible under an adequate set of driving inputs, as highlighted by our theoretical prediction and general common trends can be thus listed that become a rule and not the exception, with contrasting signatures according to symmetry constraints, either built-in or induced by external factors at the microscopic level. Explicit analytical figures of merit for the memory modulation of the conductance are presented, unveiling very concise and accessible correlations between general intrinsic microscopic parameters such as relaxation times, activation energies, and efficiencies (encountered throughout various fields in Physics) with external drives: voltage pulses, temperature, illumination, etc. These building blocks of memory can be extended to a vast universe of materials and devices, with combinations of parallel and independent transport channels, providing an efficient and unified physical explanation for a wide class of resistive memory devices that have emerged in recent years. Its simplicity and practicality have also allowed a direct correlation with reported experimental observations with the potential of pointing out the optimal driving configurations. The main methodological tools used to combine three quantum transport approaches, Drude-like model, Landauer-Buttiker formalism, and field-effect transistor emulators, with the microscopic characterization of nonequilibrium dynamics. Both qualitative and quantitative agreements with available experimental responses are provided for validating the main hypothesis. This analysis also shades light on the basic universality of complex natural impedances of systems out of equilibrium and might help pave the way for new trends in the area of memory formation as well as in its technological applications.Keywords: memories, memdevices, memristors, nonequilibrium states
Procedia PDF Downloads 993315 Deployment of Beyond 4G Wireless Communication Networks with Carrier Aggregation
Authors: Bahram Khan, Anderson Rocha Ramos, Rui R. Paulo, Fernando J. Velez
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With the growing demand for a new blend of applications, the users dependency on the internet is increasing day by day. Mobile internet users are giving more attention to their own experiences, especially in terms of communication reliability, high data rates and service stability on move. This increase in the demand is causing saturation of existing radio frequency bands. To address these challenges, researchers are investigating the best approaches, Carrier Aggregation (CA) is one of the newest innovations, which seems to fulfill the demands of the future spectrum, also CA is one the most important feature for Long Term Evolution - Advanced (LTE-Advanced). For this purpose to get the upcoming International Mobile Telecommunication Advanced (IMT-Advanced) mobile requirements (1 Gb/s peak data rate), the CA scheme is presented by 3GPP, which would sustain a high data rate using widespread frequency bandwidth up to 100 MHz. Technical issues such as aggregation structure, its implementations, deployment scenarios, control signal techniques, and challenges for CA technique in LTE-Advanced, with consideration of backward compatibility, are highlighted in this paper. Also, performance evaluation in macro-cellular scenarios through a simulation approach is presented, which shows the benefits of applying CA, low-complexity multi-band schedulers in service quality, system capacity enhancement and concluded that enhanced multi-band scheduler is less complex than the general multi-band scheduler, which performs better for a cell radius longer than 1800 m (and a PLR threshold of 2%).Keywords: component carrier, carrier aggregation, LTE-advanced, scheduling
Procedia PDF Downloads 2003314 Numerical Approach for Characterization of Flow Field in Pump Intake Using Two Phase Model: Detached Eddy Simulation
Authors: Rahul Paliwal, Gulshan Maheshwari, Anant S. Jhaveri, Channamallikarjun S. Mathpati
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Large pumping facility is the necessary requirement of the cooling water systems for power plants, process and manufacturing facilities, flood control and water or waste water treatment plant. With a large capacity of few hundred to 50,000 m3/hr, cares must be taken to ensure the uniform flow to the pump to limit vibration, flow induced cavitation and performance problems due to formation of air entrained vortex and swirl flow. Successful prediction of these phenomena requires numerical method and turbulence model to characterize the dynamics of these flows. In the past years, single phase shear stress transport (SST) Reynolds averaged Navier Stokes Models (like k-ε, k-ω and RSM) were used to predict the behavior of flow. Literature study showed that two phase model will be more accurate over single phase model. In this paper, a 3D geometries simulated using detached eddy simulation (LES) is used to predict the behavior of the fluid and the results are compared with experimental results. Effect of different grid structure and boundary condition is also studied. It is observed that two phase flow model can more accurately predict the mean flow and turbulence statistics compared to the steady SST model. These validate model will be used for further analysis of vortex structure in lab scale model to generate their frequency-plot and intensity at different location in the set-up. This study will help in minimizing the ill effect of vortex on pump performance.Keywords: grid structure, pump intake, simulation, vibration, vortex
Procedia PDF Downloads 1753313 Augmentation of Conventional Medicine for Post-concussion Syndrome with Cognitive Behavioral Therapy Accelerates Symptomatic Relief in Affected Individuals
Authors: Waqas Mehdi, Muhammad Umar Hassan, Khadeeja Mustafa
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Objective: Post-concussion syndrome (PCS) is a medical term used to point out the complicated combination of physical, emotional, cognitive and behavioral signs and symptoms associated with Mild Traumatic Brain Injury(mTBI). This study was conducted to assess the improvement or debilitating effect of behavioral therapy in addition to the conventional treatment and to document these results for increasing the efficiency of treatment provided to such cases. Method: This was primarily an interventional prospective cohort study which was conducted in the Department of Neurosurgery, Mayo Hospital Lahore. The sample size was 200 patients who were randomly distributed into two groups. The interventional group with Cognitive behavioral therapy was added in addition to the conventional treatment regimen and the Control group receiving only conventional treatment. Results were noted initially as well as after two weeks of the follow-up period. Data were subsequently analyzed by Statistical Package for Social Sciences (SPSS) software and associations worked out. Result and conclusion: Among the patients that were given therapy sessions along with conventional medicine, there was a significant improvement in the symptoms and their overall quality of life. It is also important to notice that the time period taken for these effects to wane is cut down by psychiatric solutions too. So we can conclude that CBT sessions not only speed up recovery in patients with post-concussion syndrome they also aid in the efficiency improvement in functional capability and quality of life.Keywords: neurosurgery, CBT, PCS, mTBI
Procedia PDF Downloads 1653312 Control of Airborne Aromatic Hydrocarbons over TiO2-Carbon Nanotube Composites
Authors: Joon Y. Lee, Seung H. Shin, Ho H. Chun, Wan K. Jo
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Poly vinyl acetate (PVA)-based titania (TiO2)–carbon nanotube composite nanofibers (PVA-TCCNs) with various PVA-to-solvent ratios and PVA-based TiO2 composite nanofibers (PVA-TN) were synthesized using an electrospinning process, followed by thermal treatment. The photocatalytic activities of these nanofibers in the degradation of airborne monocyclic aromatics under visible-light irradiation were examined. This study focuses on the application of these photocatalysts to the degradation of the target compounds at sub-part-per-million indoor air concentrations. The characteristics of the photocatalysts were examined using scanning electron microscopy, X-ray diffraction, ultraviolet-visible spectroscopy, and Fourier-transform infrared spectroscopy. For all the target compounds, the PVA-TCCNs showed photocatalytic degradation efficiencies superior to those of the reference PVA-TN. Specifically, the average photocatalytic degradation efficiencies for benzene, toluene, ethyl benzene, and o-xylene (BTEX) obtained using the PVA-TCCNs with a PVA-to-solvent ratio of 0.3 (PVA-TCCN-0.3) were 11%, 59%, 89%, and 92%, respectively, whereas those observed using PVA-TNs were 5%, 9%, 28%, and 32%, respectively. PVA-TCCN-0.3 displayed the highest photocatalytic degradation efficiency for BTEX, suggesting the presence of an optimal PVA-to-solvent ratio for the synthesis of PVA-TCCNs. The average photocatalytic efficiencies for BTEX decreased from 11% to 4%, 59% to 18%, 89% to 37%, and 92% to 53%, respectively, when the flow rate was increased from 1.0 to 4.0 L min1. In addition, the average photocatalytic efficiencies for BTEX increased 11% to ~0%, 59% to 3%, 89% to 7%, and 92% to 13% , respectively, when the input concentration increased from 0.1 to 1.0 ppm. The prepared PVA-TCCNs were effective for the purification of airborne aromatics at indoor concentration levels, particularly when the operating conditions were optimized.Keywords: mixing ratio, nanofiber, polymer, reference photocatalyst
Procedia PDF Downloads 3793311 Analytical and Numerical Studies on the Behavior of a Freezing Soil Layer
Authors: X. Li, Y. Liu, H. Wong, B. Pardoen, A. Fabbri, F. McGregor, E. Liu
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The target of this paper is to investigate how saturated poroelastic soils subject to freezing temperatures behave and how different boundary conditions can intervene and affect the thermo-hydro-mechanical (THM) responses, based on a particular but classical configuration of a finite homogeneous soil layer studied by Terzaghi. The essential relations on the constitutive behavior of a freezing soil are firstly recalled: ice crystal - liquid water thermodynamic equilibrium, hydromechanical constitutive equations, momentum balance, water mass balance, and the thermal diffusion equation, in general, non-linear case where material parameters are state-dependent. The system of equations is firstly linearized, assuming all material parameters to be constants, particularly the permeability of liquid water, which should depend on the ice content. Two analytical solutions solved by the classic Laplace transform are then developed, accounting for two different sets of boundary conditions. Afterward, the general non-linear equations with state-dependent parameters are solved using a commercial code COMSOL based on finite elements method to obtain numerical results. The validity of this numerical modeling is partially verified using the analytical solution in the limiting case of state-independent parameters. Comparison between the results given by the linearized analytical solutions and the non-linear numerical model reveals that the above-mentioned linear computation will always underestimate the liquid pore pressure and displacement, whatever the hydraulic boundary conditions are. In the nonlinear model, the faster growth of ice crystals, accompanying the subsequent reduction of permeability of freezing soil layer, makes a longer duration for the depressurization of water liquid and slower settlement in the case where the ground surface is swiftly covered by a thin layer of ice, as well as a bigger global liquid pressure and swelling in the case of the impermeable ground surface. Nonetheless, the analytical solutions based on linearized equations give a correct order-of-magnitude estimate, especially at moderate temperature variations, and remain a useful tool for preliminary design checks.Keywords: chemical potential, cryosuction, Laplace transform, multiphysics coupling, phase transformation, thermodynamic equilibrium
Procedia PDF Downloads 823310 Renoprotective Effect of Alcoholic Extract of Bacopa monnieri via Inhibition of Advanced Glycation End Products and Oxidative Stress in Stz-Nicotinamide Induced Diabetic Nephropathy
Authors: Lalit Kishore, Randhir Singh
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Diabetic nephropathy (DN) is the major cause of morbidity among diabetic patients. In this study, the effect of Bacopa monnieri Linn. (Brahmi, BM), was studied in a Streptozotocin (STZ)-induced experimental rat model of DN. Diabetic nephropathy was induced in Male Wistar rats (body weight- 300± 10 gms) by single intra-peritoneal injection of STZ (45mg/kg, i.p.) after 15 min of Nicotinamide (230 mg/kg) administration. Different doses of alcoholic extract i.e. 100, 200 and 400 mg/kg was given for 45 days by oral gavage after induction of DN. Blood glucose level, serum insulin, glycosylated haemoglobin, renal parameters (serum urea, uric acid, creatinine and BUN) and lipid profile (total cholesterol, triglycerides, HDL, LDL and VLDL levels) were measured. Concentration of thiobarbituric acid reactive species (TBARS) and levels of antioxidant enzymes of reduced glutathione (GSH), superoxide dismutase (SOD), and catalase (CAT) were evaluated in the kidney, liver and pancreas. At the end of treatment period the alcoholic extract of BM reduced the elevated level of blood glucose, serum insulin, renal parameters, lipid levels, TBARS, AGE’s in kidney and significantly increased body weight, HDL and antioxidant enzymes in dose dependent manner as compared to diabetic control animals. These results suggested the BM possesses significant renoprotective activity.Keywords: AGE's, lipid profile, oxidative stress, renal parameters
Procedia PDF Downloads 3243309 Formulation and Anticancer Evaluation of Beta-Sitosterol in Henna Methanolic Extract Embedded in Controlled Release Nanocomposite
Authors: Sanjukta Badhai, Durga Barik, Bairagi C. Mallick
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In the present study, Beta-Sitosterol in Lawsonia methanolic leaf extract embedded in controlled release nanocomposite was prepared and evaluated for in vivo anticancer efficacy in dimethyl hydrazine (DMH) induced colon cancer. In the present study, colon cancer was induced by s.c injection of DMH (20 mg/kg b.wt) for 15 weeks. The animals were divided into five groups as follows control, DMH alone, DMH and Beta Sitosterol nanocomposite (50mg/kg), DMH and Beta Sitosterol nanocomposite (100 mg/kg) and DMH and Standard Silymarin (100mg/kg) and the treatment was carried out for 15 weeks. At the end of the study period, the blood was withdrawn, and serum was separated for haematological, biochemical analysis and tumor markers. Further, the colonic tissue was removed for the estimation of antioxidants and histopathological analysis. The results of the study displays that DMH intoxication elicits altered haematological parameters (RBC,WBC, and Hb), elevated lipid peroxidation and decreased antioxidants level (SOD, CAT, GPX, GST and GSH), elevated lipid profiles (cholesterol and triglycerides), tumor markers (CEA and AFP) and altered colonic tissue histology. Meanwhile, treatment with Beta Sitosterol nanocomposites significantly restored the altered biochemicals parameters in DMH induced colon cancer mediated by its anticancer efficacy. Further, Beta Sitosterol nanocomposite (100 mg/kg) showed marked efficacy.Keywords: nanocomposites, herbal formulation, henna, beta sitosterol, colon cancer, dimethyl hydrazine, antioxidant, lipid peroxidation
Procedia PDF Downloads 1663308 There's No End in Sight: An Interpretative Phenomenological Analysis of Quality of Life in Burning Syndrome Sufferers
Authors: R. McGrath, A. Trace, S. Curtin, C. McCreary
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Introduction: Although, in relation to Burning Mouth Syndrome (BMS), much energy has been expended on its definition and etiology, it still remains a contentious issue. There is agreement on the symptoms, but on little else; and approaches to treatment vary widely. However, it has been established that the condition has a detrimental effect on the sufferer’s quality of life. Much research focus has been put on the physical impact of the syndrome. Recently, some literature has turned the focus to social, functional, and psychological factors. However, there is very little qualitative research on how burning mouth syndrome affects the lives of sufferer’s and the present study seeks to remedy this. Method: The study recruited five male participants who took part in semi-structured interviews lasting between 30 and 50 minutes. Data was analysed using Interpretative Phenomenological Analysis. Results: The study identified four super-ordinate themes: Lack of Control due to Uncertainty about Condition; Disruption to Internal Sense of Self; Negative Future Expectation due to Chronic Symptoms; and Sense of BMS as an Intrusive Force. Aspects of these themes reflect areas of reduction in quality of life. Conclusion: BMS damages an individual’s quality of life in ways that have not been reflected in self-report surveys of health-related quality of life. The condition has serious implications for the individual's sense of self, identity, and future. The study recommends that further qualitative research be carried out in this area. Also, the use of therapeutic interventions with sufferers from BMS is recommended, which would help not only sufferers but best practice in relation to their treatment.Keywords: burning mouth syndrome, interpretative phenomenological analysis, qualitative research, quality of life
Procedia PDF Downloads 4423307 Co-Administration Effects of Conjugated Linoleic Acid and L-Carnitine on Weight Gain and Biochemical Profile in Diet Induced Obese Rats
Authors: Maryam Nazari, Majid Karandish, Alihossein Saberi
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Obesity as a global health challenge motivates pharmaceutical industries to produce anti-obesity drugs. However, effectiveness of these agents is remained unclear. Because of popularity of dietary supplements, the aim of this study was tp investigate the effects of Conjugated Linoleic Acid (CLA) and L-carnitine (LC) on serum glucose, triglyceride, cholesterol and weight changes in diet induced obese rats. 48 male Wistar rats were randomly divided into two groups: Normal fat diet (n=8), and High fat diet (HFD) (n=32). After eight weeks, the second group which was maintained on HFD until the end of study, was subdivided into four categories: a) 500 mg Corn Oil (as control group), b) 500 mg CLA, c) 200 mg LC, d) 500 mg CLA+ 200 mg LC.All doses are planned per kg body weights, which were administered by oral gavage for four weeks. Body weights were measured and recorded weekly by means of a digital scale. At the end of the study, blood samples were collected for biochemical markers measurement. SPSS Version 16 was used for statistical analysis. At the end of 8th week, a significant difference in weight was observed between HFD and NFD group. After 12 weeks, LC significantly reduced weight gain by 4.2%. Trend of weight gain in CLA and CLA+LC groups was insignificantly decelerated. CLA+LC reduced triglyceride level significantly, but just CLA had significant influence on total cholesterol and insignificant decreasing effect on FBS. Our results showed that an obesogenic diet in a relative short time led to obesity and dyslipidemia which can be modified by LC and CLA to some extent.Keywords: conjugated linoleic acid, high fat diet, L-Carnitine, obesity
Procedia PDF Downloads 1613306 Transgression, Resistance and Independent Art in Russia
Authors: Oxana Vasilyeva
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This paper draws on research in progress focusing on independent art in the Russian Federation. I am using the concept of independent art to mean art free from state control and established restrictive narratives. The Russian state pursues its interests by supporting or forbidding certain forms of art, and art that promotes values in opposition to the official political course is often forbidden. Arguments presented below draw from fieldwork carried out in Russian cities of Moscow and Saint Petersburg in June – August 2019, which included in-depth interviews with artists. This research explores socially engaged artistic works and their effect on socio-political state of affairs. It argues that artistic works entering public places have a potential to challenge autocratic system and inspire civil society to be critically engaged and to be capable to resist state propaganda. I am focusing on those artists who have a critical stance towards the current Russian political regime and analyzing their works in terms of transgression. By using the framework of transgression I aim to demonstrate how artists step across existing norms with their art influencing political and social order. To show the connection between the factors mentioned above, I will turn to two examples of transgressive aesthetics; one is individual and another is collective. The first example is Konstantin Benkovich, an artist who makes his works out of steel rebar, which is considered to be a symbol of the lack of freedom, as it is usually encountered in prison settings. The second example is a collective art practice called Monstration. It combines techniques of a demonstration and a carnival atmosphere. In 2019 Monstration was held in 30 Russian cities, despite the dissatisfaction of the authorities.Keywords: art, culture, resistance, Russia
Procedia PDF Downloads 1273305 Access to the Forest Ecosystem Services: Understanding the Interaction between Livelihood Capitals and Access
Authors: Abu S. M. G. Kibria, Alison M. Behie, Robert Costanza, Colin Groves, Tracy Farrell
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This study is aimed to understand the level of access and the influence of livelihood capitals in maintaining access and control of ecosystem services (ESS) in the Sundarbans, Bangladesh. Besides the villagers, we consider other stakeholders including the forest department, coast guard, police, merchants, pirates and villagers who ‘controlled’ or ‘maintained’ access to ESS (crab catching, shrimp fry, honey, shrimp, mixed fish, fuel wood) in this region. Villagers used human, physical, natural and social capitals to gain access to ESS. The highest level of access was observed in crab catching and the lowest was found in honey collection, both of which were done when balancing the costs and benefits of accessing one ESS against another. The outcomes of these ongoing access negotiations were determined by livelihood capitals of the households. In addition, it was often found that the certain variables could have a positive effect on one ESS and a negative effect on another. For instance, human, social and natural capitals (eldest daughter’s education and No. of livelihood group membership and) had significant positive effects on honey collection while two components of human and social capitals including ‘eldest son’s education’ and ‘severity of pirate problem’ had exactly the opposite impact. These complex interactions were also observed in access to other ESS. It thus seems that access to ESS is not anything which is provided, but rather it is achieved by using livelihood capitals. Protecting any ecosystem from over exploitation and improve wellbeing can be achieved by properly balancing the livelihood capital-access nexus.Keywords: provisioning services, access level, livelihood capital, interaction, access gain
Procedia PDF Downloads 2853304 Financial Capacity, Governance, and Corporate Engagement in Environmental Protection
Authors: Lubica Hikkerova, Jean-Michel Sahut
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Environmental protection remains a global challenge but, since 2012, there has been a progressive decline in corporate engagement in environmental protection issues. This study seeks to investigate the role of financial capacity and governance in improving the level of environmental engagement of companies. The regression technique is applied to data on 351 large European companies from the ASSET4-ESG database for the 2007-2015 period. Firstly, the results show that the companies in the sample are fairly engaged in environmental protection, with a strong dispersion representing nearly four times the average. This means that the companies in the sample do not share the same level of engagement in matters of environmental protection, some being more committed than others. Secondly, the results reveal that the financial capacity of the company, as assessed through its indicators, has a significant effect on its level of environmental protection engagement in the present sample. This effect is more positive the higher the profits the company makes, and more negative the more heavily indebted or, the higher the rates of dividends it pays per share. Lastly, the results also show that a better quality of governance plays an important role in the decision to undertake actions leading to environmental protection. More specifically, the degree of management implication in the running of the business, the respect of the rights of the shareholders, the effectiveness of the control exerted by the board of directors, and, to a lesser extent, the independence of the audit committee, are variables which have a positive and significant influence on the level of environmental engagement of companies.Keywords: financial capacity, corporate governance, environmental engagement, stakeholder theory, theory of organizational legitimacy, theory of resources and capabilities
Procedia PDF Downloads 1893303 Experimental Analysis of Supersonic Combustion Induced by Shock Wave at the Combustion Chamber of the 14-X Scramjet Model
Authors: Ronaldo de Lima Cardoso, Thiago V. C. Marcos, Felipe J. da Costa, Antonio C. da Oliveira, Paulo G. P. Toro
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The 14-X is a strategic project of the Brazil Air Force Command to develop a technological demonstrator of a hypersonic air-breathing propulsion system based on supersonic combustion programmed to flight in the Earth's atmosphere at 30 km of altitude and Mach number 10. The 14-X is under development at the Laboratory of Aerothermodynamics and Hypersonic Prof. Henry T. Nagamatsu of the Institute of Advanced Studies. The program began in 2007 and was planned to have three stages: development of the wave rider configuration, development of the scramjet configuration and finally the ground tests in the hypersonic shock tunnel T3. The install configuration of the model based in the scramjet of the 14-X in the test section of the hypersonic shock tunnel was made to proportionate and test the flight conditions in the inlet of the combustion chamber. Experimental studies with hypersonic shock tunnel require special techniques to data acquisition. To measure the pressure along the experimental model geometry tested we used 30 pressure transducers model 122A22 of PCB®. The piezoeletronic crystals of a piezoelectric transducer pressure when to suffer pressure variation produces electric current (PCB® PIEZOTRONIC, 2016). The reading of the signal of the pressure transducers was made by oscilloscope. After the studies had begun we observed that the pressure inside in the combustion chamber was lower than expected. One solution to improve the pressure inside the combustion chamber was install an obstacle to providing high temperature and pressure. To confirm if the combustion occurs was selected the spectroscopy emission technique. The region analyzed for the spectroscopy emission system is the edge of the obstacle installed inside the combustion chamber. The emission spectroscopy technique was used to observe the emission of the OH*, confirming or not the combustion of the mixture between atmospheric air in supersonic speed and the hydrogen fuel inside of the combustion chamber of the model. This paper shows the results of experimental studies of the supersonic combustion induced by shock wave performed at the Hypersonic Shock Tunnel T3 using the scramjet 14-X model. Also, this paper provides important data about the combustion studies using the model based on the engine of 14-X (second stage of the 14-X Program). Informing the possibility of necessaries corrections to be made in the next stages of the program or in other models to experimental study.Keywords: 14-X, experimental study, ground tests, scramjet, supersonic combustion
Procedia PDF Downloads 3903302 An Optimal Path for Virtual Reality Education using Association Rules
Authors: Adam Patterson
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This study analyzes the self-reported experiences of virtual reality users to develop insight into an optimal learning path for education within virtual reality. This research uses a sample of 1000 observations to statistically define factors influencing (i) immersion level and (ii) motion sickness rating for virtual reality experience respondents of college age. This paper recommends an efficient duration for each virtual reality session, to minimize sickness and maximize engagement, utilizing modern machine learning methods such as association rules. The goal of this research, in augmentation with previous literature, is to inform logistical decisions relating to implementation of pilot instruction for virtual reality at the collegiate level. Future research will include a Randomized Control Trial (RCT) to quantify the effect of virtual reality education on student learning outcomes and engagement measures. Current research aims to maximize the treatment effect within the RCT by optimizing the learning benefits of virtual reality. Results suggest significant gender heterogeneity amongst likelihood of reporting motion sickness. Females are 1.7 times more likely, than males, to report high levels of motion sickness resulting from a virtual reality experience. Regarding duration, respondents were 1.29 times more likely to select the lowest level of motion sickness after an engagement lasting between 24.3 and 42 minutes. Conversely, respondents between 42 to 60 minutes were 1.2 times more likely to select the higher levels of motion sickness.Keywords: applications and integration of e-education, practices and cases in e-education, systems and technologies in e-education, technology adoption and diffusion of e-learning
Procedia PDF Downloads 713301 Multi-Objective Optimization of Intersections
Authors: Xiang Li, Jian-Qiao Sun
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As the crucial component of city traffic network, intersections have significant impacts on urban traffic performance. Despite of the rapid development in transportation systems, increasing traffic volumes result in severe congestions especially at intersections in urban areas. Effective regulation of vehicle flows at intersections has always been an important issue in the traffic control system. This study presents a multi-objective optimization method at intersections with cellular automata to achieve better traffic performance. Vehicle conflicts and pedestrian interference are considered. Three categories of the traffic performance are studied including transportation efficiency, energy consumption and road safety. The left-turn signal type, signal timing and lane assignment are optimized for different traffic flows. The multi-objective optimization problem is solved with the cell mapping method. The optimization results show the conflicting nature of different traffic performance. The influence of different traffic variables on the intersection performance is investigated. It is observed that the proposed optimization method is effective in regulating the traffic at the intersection to meet multiple objectives. Transportation efficiency can be usually improved by the permissive left-turn signal, which sacrifices safety. Right-turn traffic suffers significantly when the right-turn lanes are shared with the through vehicles. The effect of vehicle flow on the intersection performance is significant. The display pattern of the optimization results can be changed remarkably by the traffic volume variation. Pedestrians have strong interference with the traffic system.Keywords: cellular automata, intersection, multi-objective optimization, traffic system
Procedia PDF Downloads 5813300 Improvement of Sleep Quality Through Manual and Non-Pharmacological Treatment
Authors: Andreas Aceranti, Sergio Romanò, Simonetta Vernocchi, Silvia Arnaboldi, Emilio Mazza
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As a result of the Sars-Cov2 pandemic, the incidence of thymism disorders has significantly increased and, often, patients are reluctant to want to take drugs aimed at stabilizing mood. In order to provide an alternative approach to drug therapies, we have prepared a study in order to evaluate the possibility of improving the quality of life of these subjects through osteopathic treatment. Patients were divided into visceral and fascial manual treatment with the aim of increasing serotonin levels and stimulating the vagus nerve through validated techniques. The results were evaluated through the administration of targeted questionnaires in order to assess quality of life, mood, sleep and intestinal functioning. At a first endpoint we found, in patients undergoing fascial treatment, an increase in quality of life and sleep: in fact, they report a decrease in the number of nocturnal awakenings; a reduction in falling asleep times and greater rest upon waking. In contrast, patients undergoing visceral treatment, as well as those included in the control group, did not show significant improvements. Patients in the fascial group have, in fact, reported an improvement in thymism and subjective quality of life with a generalized improvement in function. Although the study is still ongoing, based on the results of the first endpoint we can hypothesize that fascial stimulation of the vagus nerve with manual and osteopathic techniques may be a valid alternative to pharmacological treatments in mood and sleep disorders.Keywords: ostheopathy, insomnia, noctural awakening, thymism
Procedia PDF Downloads 913299 Growth Performance and Economy of Production of Pullets Fed on Different Energy Based Sources
Authors: O. A. Anjola, M. A. Adejobi, A. Ogunbameru, F. P. Agbaye, R. O. Odunukan
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This experiment was conducted for 8 weeks to evaluate the growth performance and economics of pullets fed on different dietary energy sources. A total of 300 Harco black was used for this experiment. The birds were completely randomized and divided into four diet treatment groups. Each treatment group had three replicates of twenty-five birds per replicate. Four diets containing maize, spaghetti, noodles, and biscuit was formulated to represent diet 1, 2, 3 and 4 respectively. Diet 1 containing maize is the control, while diet 2, 3, and 4 contains spaghetti, noodles, and biscuit waste meal at 100% replacement for maize on weight for weight basis. Performance indices on Feed intake, body weight, weight gain, feed conversion ratio (FCR) and economy of production were measured. Blood samples were also collected for heamatology and serum biochemistry assessment. The result of the experiment indicated that different dietary energy source fed to birds significantly (P < 0.05) affect feed intake, body weight, weight gain, and feed conversion ratio (FCR). The best cost of feed per kilogram of body weight gain was obtained in Spaghetti based diet (₦559.30). However, the best performance were obtained from diet 1(maize), it can be concluded that spaghetti as a replacement for maize in diet of pullet is most economical and profitable for production without any deleterious effects attached. Blood parameters of birds were not significantly (p > 0.05) influenced by the use of the dietary energy sources used in this experiment.Keywords: growth performance, spaghetti, noodles, biscuit, profit, hematology, serum biochemistry
Procedia PDF Downloads 2293298 Production and Quality Assessment of Antioxidant-Rich Biscuit Produced from Pearl Millet and Orange Peel Flour Blends
Authors: Oloniyo Rebecca Olajumoke
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The unstable free radicals molecules oxidize cells throughout the body to cause oxidative stress, which has been implicated in the pathogenesis of many chronic diseases. Thus, the consumption of antioxidant-rich snacks could help to reduce the production of these free radicals in the body. This study aimed at producing antioxidant–rich biscuits from an underutilized pearl millet and agricultural waste from orange peel flour (PMF and OPF, respectively) blends. Biscuits were produced from PMF, and OPF blends using various proportions (95:05; 90:10; 85:15; 80:20 with 100% PMF as control. The functional properties of the flours, as well as the antioxidant properties, physical evaluation, and consumer acceptability of the biscuits, were evaluated. The functional properties of the composite flour showed an increase in oil absorption capacity (7.73-8.80 g/ml), water absorption capacity (6.82-7.21 g/ml), foaming (3.91-5.88 g/ml), and emulsification (52.85-58.82 g/ml) properties. The increased addition of OPF significantly (p<0.05) increased the antioxidant properties of the biscuits produced from the composite flour. For instance, the ferric reducing properties (0.10-0.4 mgAAE/g), total flavonoid (1.20-8.12 mg QE/g), and ABTS radical scavenging (1.17-2.19 mmol/TEAC/g) of the composite flours were increasingly comparable to those of 100% PMF. The physical parameters of the biscuit were significantly different (p<0.05) from one another. The addition of OPF into PMF reduced the weight, diameter, and spread ratio of biscuits produced while contrarily increasing the height of the biscuit. The incorporation of OPF at 5% (95:05) substitution yielded a consumedly acceptable biscuit product. The significant increase in antioxidant properties with an increase in OPF during the production of biscuits would therefore increase the nutritional value and potential health benefits.Keywords: orange peel, biscuit, antioxidant, pearl millet
Procedia PDF Downloads 973297 Susceptibility Assessment and Genetic Diversity of Iranian and CIMMYT Wheat Genotypes to Common Root Rot Disease Bipolaris sorokiniana
Authors: Mehdi Nasr Esfahani, Abdal-Rasool Gholamalian, Abdelfattah A. Dababat
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Wheat, Triticum aestivum L. is one of the most important and strategic crops in the human diet. Several diseases threaten this particular crop. Common root rot disease of wheat by a fungal agent, Bipolaris sorokiniana is one of the important diseases, causing considerable losses worldwide. Resistant sources are the only feasible and effective method of control for managing diseases. In this study, the response of 33 domestic and exotic wheat genotypes, including cultivars and promising lines were screened to B. sorokiniana at greenhouse and field conditions, based on five scoring scale indexes of 0 to 100 severity percentage. The screening was continued on resistant wheat genotypes and repeated several times to confirm the greenhouse and field results. Statistical and cluster analysis of data was performed using SAS and SPSS software, respectively. The results showed that, the response of wheat genotypes to the disease in the greenhouse and field conditions was highly significant. The highest rate of common root rot disease infection, B. sorokiniana in the greenhouse and field, was of CVS. Karkheh and Beck Cross-Roshan with 60.83% and 59.16% disease severity respectively, and the lowest one were in cv. Alvand with 18.33%, followed by cv. Baharan with 19.16% disease severity, with a highly significant difference respectively. The remaining wheat genotypes were located in between these two highest and lowest infected groups to B. sorokiniana significantly. There was a high correlation coefficient between the related statistical groups and cluster analysis.Keywords: wheat, rot, root, crown, fungus, genotype, resistance
Procedia PDF Downloads 1363296 Kinetic Study on Extracting Lignin from Black Liquor Using Deep Eutectic Solvents
Authors: Fatemeh Saadat Ghareh Bagh, Srimanta Ray, Jerald Lalman
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Lignin, the largest inventory of organic carbon with a high caloric energy value is a major component in woody and non-woody biomass. In pulping mills, a large amount of the lignin is burned for energy. At the same time, the phenolic structure of lignin enables it to be converted to value-added compounds.This study has focused on extracting lignin from black liquor using deep eutectic solvents (DESs). Therefore, three choline chloride (ChCl)-DESs paired with lactic acid (LA) (1:11), oxalic acid.2H₂O (OX) (1:4), and malic acid (MA) (1:3) were synthesized at 90oC and atmospheric pressure. The kinetics of lignin recovery from black liquor using DES was investigated at three moderate temperatures (338, 353, and 368 K) at time intervals from 30 to 210 min. The extracted lignin (acid soluble lignin plus Klason lignin) was characterized by Fourier transform infrared spectroscopy (FTIR). The FTIR studies included comparing the extracted lignin with a model Kraft lignin. The extracted lignin was characterized spectrophotometrically to determine the acid soluble lignin (ASL) [TAPPI UM 250] fraction and Klason lignin was determined gravimetrically using TAPPI T 222 om02. The lignin extraction reaction using DESs was modeled by first-order reaction kinetics and the activation energy of the process was determined. The ChCl:LA-DES recovered lignin was 79.7±2.1% at 368K and a DES:BL ratio of 4:1 (v/v). The quantity of lignin extracted for the control solvent, [emim][OAc], was 77.5+2.2%. The activation energy measured for the LA-DES system was 22.7 KJ mol⁻¹, while the activation energy for the OX-DES and MA-DES systems were 7.16 KJ·mol⁻¹ and 8.66 KJ·mol⁻¹ when the total lignin recovery was 75.4 ±0.9% and 62.4 ±1.4, % respectively.Keywords: black liquor, deep eutectic solvents, kinetics, lignin
Procedia PDF Downloads 1483295 Isotope Effects on Inhibitors Binding to HIV Reverse Transcriptase
Authors: Agnieszka Krzemińska, Katarzyna Świderek, Vicente Molinier, Piotr Paneth
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In order to understand in details the interactions between ligands and the enzyme isotope effects were studied between clinically used drugs that bind in the active site of Human Immunodeficiency Virus Reverse Transcriptase, HIV-1 RT, as well as triazole-based inhibitor that binds in the allosteric pocket of this enzyme. The magnitudes and origins of the resulting binding isotope effects were analyzed. Subsequently, binding isotope effect of the same triazole-based inhibitor bound in the active site were analyzed and compared. Together, these results show differences in binding origins in two sites of the enzyme and allow to analyze binding mode and place of newly synthesized inhibitors. Typical protocol is described below on the example of triazole ligand in the allosteric pocket. Triazole was docked into allosteric cavity of HIV-1 RT with Glide using extra-precision mode as implemented in Schroedinger software. The structure of HIV-1 RT was obtained from Protein Data Bank as structure of PDB ID 2RKI. The pKa for titratable amino acids was calculated using PROPKA software, and in order to neutralize the system 15 Cl- were added using tLEaP package implemented in AMBERTools ver.1.5. Also N-terminals and C-terminals were build using tLEaP. The system was placed in 144x160x144Å3 orthorhombic box of water molecules using NAMD program. Missing parameters for triazole were obtained at the AM1 level using Antechamber software implemented in AMBERTools. The energy minimizations were carried out by means of a conjugate gradient algorithm using NAMD. Then system was heated from 0 to 300 K with temperature increment 0.001 K. Subsequently 2 ns Langevin−Verlet (NVT) MM MD simulation with AMBER force field implemented in NAMD was carried out. Periodic Boundary Conditions and cut-offs for the nonbonding interactions, range radius from 14.5 to 16 Å, are used. After 2 ns relaxation 200 ps of QM/MM MD at 300 K were simulated. The triazole was treated quantum mechanically at the AM1 level, protein was described using AMBER and water molecules were described using TIP3P, as implemented in fDynamo library. Molecules 20 Å apart from the triazole were kept frozen, with cut-offs established on range radius from 14.5 to 16 Å. In order to describe interactions between triazole and RT free energy of binding using Free Energy Perturbation method was done. The change in frequencies from ligand in solution to ligand bounded in enzyme was used to calculate binding isotope effects.Keywords: binding isotope effects, molecular dynamics, HIV, reverse transcriptase
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