Search results for: minimum biofilm inhibitory concentration
2050 Effect of Heat Stress on the Physiology of the Cork Oak
Authors: J. Zekri, N. Souilah, W. Abdelaziz, D. Alatou
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Our study shall focus on the ability of trees cork oak that showed vis-à-vis sensitivity to climate change, including late spring frosts. The combination of these factors resulted in damage alarmed, therefore forest ecosystems weakened trees that can affect their ability to support other abiotic and biotic stresses, For this we tested its tolerance to thermal variations and cold weather conditions by estimating some stress markers (quantification of proteins, RNA, soluble sugars) that are quantified to evaluate the cold tolerance of seedlings. Sowing of cork oak (Quercus suber L.) is grown in controlled conditions at 25° C ± 2° C in long days 16h. These seedlings are transferred at low temperatures between 5° C and -6° C for a period of 3 hours. Biochemical analyzes were performed in the various organs of the cork oak seedlings. Cool temperatures induced a significant accumulation of proline in different organs of seedlings and the optimum concentrations were observed in the roots with very high concentrations (4 times larger than those of the control). The accumulation of soluble sugars is significantly in stems and roots at 0° C. Protein concentrations are very high in leaves of both growth and high waves in rod at -4° C to -2° C. Tolerance cork oak seems to be at the thermal limit of -2°C. The concentration of these metabolites in the various organs showed the ability oak cork hardening during the winter.Keywords: climate change, thermal change, semi-aride, biochemical markers, heat stress
Procedia PDF Downloads 2492049 Biochemical and Electrochemical Characterization of Glycated Albumin: Clinical Relevance in Diabetes Associated Complications
Authors: Alok Raghav, Jamal Ahmad
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Background: Serum albumin glycation and advanced glycation end products (AGE) formation correlates in diabetes and its associated complications. Extensive modified human serum albumin is used to study the biochemical, electrochemical and functional properties in hyperglycemic environment with relevance to diabetes. We evaluate Spectroscopic, side chain modifications, amino acid analysis, biochemical and functional group properties in four glucose modified samples. Methods: A series four human serum albumin samples modified with glucose was characterized in terms of amino acid analysis, spectroscopic properties and side chain modifications. The diagnostic technique employed incorporates UV Spectroscopy, Fluorescence Spectroscopy, biochemical assays for side chain modifications, amino acid estimations. Conclusion: Glucose modified human serum albumin confers AGE formation causes biochemical and functional property that depend on the reactivity of glucose and its concentration used for in-vitro glycation. A biochemical and functional characterization of modified albumin in-vitro produced AGE product that will be useful to interpret the complications and pathophysiological significance in diabetes.Keywords: glycation, diabetes, human serum albumin, biochemical and electrochemical characterization
Procedia PDF Downloads 3742048 Photocatalytic Degradation of Toxic Phenols Using Zinc Oxide Doped Prussian Blue Nanocomposite
Authors: Rachna, Uma Shanker
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Aromatic phenols, being priority pollutants, are found in various industrial effluents and seeking the attention of environmentalists worldwide, owing to their life-threatening effects. In the present study, the coupling of zinc oxide with Prussian blue was achieved involving co-precipitation synthesis process using Azadirachta indica plant extract. The fabricated nanocatalyst was employed for the sunlight mediated photodegradation of various phenols (Phenol, 3-Aminophenol, and 2,4-Dinitrophenol). Doping of zinc oxide with Prussian blue caused an increase in the surface area to value 80.109 m²g⁻¹ and also enhanced the semiconducting tendency of the nanocomposite with band gap energy 1.101 eV. The experiment was performed at different parameters of phenols concentration, catalyst amount, pH, time, and exposure of sunlight. The obtained results showed a lower elimination of 2,4-DNP (93%) than 3-AP (97%) and phenol (95%) owing to their molecular weight and basicity differences. In comparison to the starting material (zinc oxide and Prussian blue), nanocomposite was more capable in degrading the phenols and lowered the t1/2 value of phenol (4.405 h), 3-AP (4.04 h) and 2,4-DNP (4.68 h) to a greater extent. Effect of different foreign anions was also studied to check nanocomposite’s liability under natural conditions. The extent of charge recombination being the most limiting factor in the photodegradation of pollutants was determined through the photoluminescence. Sunlight active ZnO@FeHCF nanocomposite was proven to exhibit good catalytic ability up to 10 cycles.Keywords: nanocomposite, phenols, photodegradation, sunlight, water
Procedia PDF Downloads 1262047 A Study on the Effect of Different Climate Conditions on Time of Balance of Bleeding and Evaporation in Plastic Shrinkage Cracking of Concrete Pavements
Authors: Hasan Ziari, Hassan Fazaeli, Seyed Javad Vaziri Kang Olyaei, Asma Sadat Dabiri
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The presence of cracks in concrete pavements is a place for the ingression of corrosive substances, acids, oils, and water into the pavement and reduces its long-term durability and level of service. One of the causes of early cracks in concrete pavements is the plastic shrinkage. This shrinkage occurs due to the formation of negative capillary pressures after the equilibrium of the bleeding and evaporation rates at the pavement surface. These cracks form if the tensile stresses caused by the restrained shrinkage exceed the tensile strength of the concrete. Different climate conditions change the rate of evaporation and thus change the balance time of the bleeding and evaporation, which changes the severity of cracking in concrete. The present study examined the relationship between the balance time of bleeding and evaporation and the area of cracking in the concrete slabs using the standard method ASTM C1579 in 27 different environmental conditions by using continuous video recording and digital image analyzing. The results showed that as the evaporation rate increased and the balance time decreased, the crack severity significantly increased so that by reducing the balance time from the maximum value to its minimum value, the cracking area increased more than four times. It was also observed that the cracking area- balance time curve could be interpreted in three sections. An examination of these three parts showed that the combination of climate conditions has a significant effect on increasing or decreasing these two variables. The criticality of a single factor cannot cause the critical conditions of plastic cracking. By combining two mild environmental factors with a severe climate factor (in terms of surface evaporation rate), a considerable reduction in balance time and a sharp increase in cracking severity can be prevented. The results of this study showed that balance time could be an essential factor in controlling and predicting plastic shrinkage cracking in concrete pavements. It is necessary to control this factor in the case of constructing concrete pavements in different climate conditions.Keywords: bleeding and cracking severity, concrete pavements, climate conditions, plastic shrinkage
Procedia PDF Downloads 1462046 Wiedemann-Franz Law Violation Domain for Graphene and Nonrelativistic Systems
Authors: Thandar Zaw Win, Cho Win Aung, Gaurav Khandal, Sabyasachi Ghosh
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Systematic and comparative research on Lorenz ratios for graphene and nonrelativistic systems has been studied to identify their Wiedemann-Franz law violation domain. Fermi energy and temperature are the main governing parameters for deciding the values of the Lorenz ratio, which is basically thermal conductivity divided by electrical conductivity times temperature times Lorenz number. Metals as three-dimensional nonrelativistic electron gas are located at higher Fermi-energy by temperature domain, where Lorenz ratio remains one. Hence, they obey the Wiedemann-Franz law. By creating higher doping in a two-dimensional graphene system, one can again reach a higher Fermi-energy by temperature domain and get a constant Lorenz ratio. For both graphene and nonrelativistic systems, the Lorenz ratio goes below one if we go lower Fermi-energy by temperature domain, which is possible for the graphene system by decreasing the doping concentration. Experimentally observed greater than one Lorenz ratio in this lower Fermi-energy by temperature domain or Dirac Fluid domain indicates that nonfluid expressions of Lorenz ratio should be replaced by fluidtype expressions. We have noticed a divergent trend of Lorenz ratio in the Dirac Fluid domain using its fluid-type expression, and it matches the trend of experimental data.Keywords: graphene, Lorentz ratio, specific heat, Wiedeann-Franz law
Procedia PDF Downloads 332045 Separation of Copper(II) and Iron(III) by Solvent Extraction and Membrane Processes with Ionic Liquids as Carriers
Authors: Beata Pospiech
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Separation of metal ions from aqueous solutions is important as well as difficult process in hydrometallurgical technology. This process is necessary for obtaining of clean metals. Solvent extraction and membrane processes are well known as separation methods. Recently, ionic liquids (ILs) are very often applied and studied as extractants and carriers of metal ions from aqueous solutions due to their good extractability properties for various metals. This work discusses a method to separate copper(II) and iron(III) from hydrochloric acid solutions by solvent extraction and transport across polymer inclusion membranes (PIM) with the selected ionic liquids as extractants/ion carriers. Cyphos IL 101 (trihexyl(tetradecyl)phosphonium chloride), Cyphos IL 104 (trihexyl(tetradecyl)phosphonium bis(2,4,4 trimethylpentyl)phosphi-nate), trioctylmethylammonium thiosalicylate [A336][TS] and trihexyl(tetradecyl)phosphonium thiosalicylate [PR4][TS] were used for the investigations. Effect of different parameters such as hydrochloric acid concentration in aqueous phase on iron(III) and copper(II) extraction has been investigated. Cellulose triacetate membranes with the selected ionic liquids as carriers have been prepared and applied for transport of iron(IIII) and copper(II) from hydrochloric acid solutions.Keywords: copper, iron, ionic liquids, solvent extraction
Procedia PDF Downloads 2792044 Risk Assessment of Natural Gas Pipelines in Coal Mined Gobs Based on Bow-Tie Model and Cloud Inference
Authors: Xiaobin Liang, Wei Liang, Laibin Zhang, Xiaoyan Guo
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Pipelines pass through coal mined gobs inevitably in the mining area, the stability of which has great influence on the safety of pipelines. After extensive literature study and field research, it was found that there are a few risk assessment methods for coal mined gob pipelines, and there is a lack of data on the gob sites. Therefore, the fuzzy comprehensive evaluation method is widely used based on expert opinions. However, the subjective opinions or lack of experience of individual experts may lead to inaccurate evaluation results. Hence the accuracy of the results needs to be further improved. This paper presents a comprehensive approach to achieve this purpose by combining bow-tie model and cloud inference. The specific evaluation process is as follows: First, a bow-tie model composed of a fault tree and an event tree is established to graphically illustrate the probability and consequence indicators of pipeline failure. Second, the interval estimation method can be scored in the form of intervals to improve the accuracy of the results, and the censored mean algorithm is used to remove the maximum and minimum values of the score to improve the stability of the results. The golden section method is used to determine the weight of the indicators and reduce the subjectivity of index weights. Third, the failure probability and failure consequence scores of the pipeline are converted into three numerical features by using cloud inference. The cloud inference can better describe the ambiguity and volatility of the results which can better describe the volatility of the risk level. Finally, the cloud drop graphs of failure probability and failure consequences can be expressed, which intuitively and accurately illustrate the ambiguity and randomness of the results. A case study of a coal mine gob pipeline carrying natural gas has been investigated to validate the utility of the proposed method. The evaluation results of this case show that the probability of failure of the pipeline is very low, the consequences of failure are more serious, which is consistent with the reality.Keywords: bow-tie model, natural gas pipeline, coal mine gob, cloud inference
Procedia PDF Downloads 2502043 Microplastic Accumulation in Native and Invasive Sea Urchin Populations on Lipsi Island (Aegean Sea)
Authors: Ella Zahra
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Sea urchins are keystone species in many global benthic ecosystems. The concentration of microplastics (MPs) in sea urchin organs was quantified in 120 individuals of 2 different species and from 4 sites across the Greek island Lipsi, with special interest in the differences between the native Arbacia lixula and the invasive Diadema setosum. Over 93% of MPs observed in both species were fibrous. MP abundance was found to correlate with exposure to open sea and harsh prevailing winds, irrespective of proximity to urban activities. The MP abundance in the invasive species was not found to be significantly dependent on site. Interestingly, the smaller native species contained significantly larger sized MPs than the invasive, possibly as a result of a greater feeding rate in A. lixula individuals. Sexually immature urchins may also have a higher feeding rate, giving rise to the negative correlation between gonad index and MPs per individual. The size of MPs ranged from 10µm to 24210µm, heavily skewed towards smaller particles. Few differences in colour were noted between the species and sites. MPs were detected in 100% of the samples with abundance ranging from 19.27 ± 6.77 to 26.83 ± 8.15 items per individual, or 3.55 ± 3.73 to 7.34 ± 10.51 items per gram of wet organ weight. This high value could lead to health risks in East Asia and the Mediterranean, where sea urchin is widely consumed, due to toxins adsorbed to the MPs.Keywords: microplastics, plastic pollution, invertebrate ecology, invasive marine species
Procedia PDF Downloads 1062042 Variation of Phytoplankton Biomass in the East China Sea Based on MODIS Data
Authors: Yumei Wu, Xiaoyan Dang, Shenglong Yang, Shengmao Zhang
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The East China Sea is one of four main seas in China, where there are many fishery resources. Some important fishing grounds, such as Zhousan fishing ground important to society. But the eco-environment is destroyed seriously due to the rapid developing of industry and economy these years. In this paper, about twenty-year satellite data from MODIS and the statistical information of marine environment from the China marine environmental quality bulletin were applied to do the research. The chlorophyll-a concentration data from MODIS were dealt with in the East China Sea and then used to analyze the features and variations of plankton biomass in recent years. The statistics method was used to obtain their spatial and temporal features. The plankton biomass in the Yangtze River estuary and the Taizhou region were highest. The high phytoplankton biomass usually appeared between the 88th day to the 240th day (end-March - August). In the peak time of phytoplankton blooms, the Taizhou islands was the earliest, and the South China Sea was the latest. The intensity and period of phytoplankton blooms were connected with the global climate change. This work give us confidence to use satellite data to do more researches about the China Sea, and it also provides some help for us to know about the eco-environmental variation of the East China Sea and regional effect from global climate change.Keywords: the East China Sea, phytoplankton biomass, temporal and spatial variation, phytoplankton bloom
Procedia PDF Downloads 3292041 Resistance to Chloride Penetration of High Strength Self-Compacting Concretes: Pumice and Zeolite Effect
Authors: Kianoosh Samimi, Siham Kamali-Bernard, Ali Akbar Maghsoudi
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This paper aims to contribute to the characterization and the understanding of fresh state, compressive strength and chloride penetration tendency of high strength self-compacting concretes (HSSCCs) where Portland cement type II is partially substituted by 10% and 15% of natural pumice and zeolite. First, five concrete mixtures with a control mixture without any pozzolan are prepared and tested in both fresh and hardened states. Then, resistance to chloride penetration for all formulation is investigated in non-steady state and steady state by measurement of chloride penetration and diffusion coefficient. In non-steady state, the correlation between initial current and chloride penetration with diffusion coefficient is studied. Moreover, the relationship between diffusion coefficient in non-steady state and electrical resistivity is determined. The concentration of free chloride ions is also measured in steady state. Finally, chloride penetration for all formulation is studied in immersion and tidal condition. The result shows that, the resistance to chloride penetration for HSSCC in immersion and tidal condition increases by incorporating pumice and zeolite. However, concrete with zeolite displays a better resistance. This paper shows that the HSSCC with 15% pumice and 10% zeolite is suitable in fresh, hardened, and durability characteristics.Keywords: Chloride penetration, immersion, pumice, HSSCC, tidal, zeolite
Procedia PDF Downloads 2472040 Evaluation of Heavy Metal Concentrations of Stem and Seed of Juncus acutus for Grazing Animals and Birds in Kızılırmak Delta
Authors: N. Cetinkaya, F. Erdem
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Juncus acutus (Juncaceae) is a perennial wetland plant and it is commonly known as spiny rush or sharp rush. It is the most abundant plant in Kizilirmak grassland, Samsun, Turkey. Heavy metals are significant environmental contaminants in delta and their toxicity is an increasing problem for animals whose natural habitat is delta. The objective of this study was to evaluate heavy metal concentrations mainly As, Cd, Sb, Ba, Pb and Hg in stem and seed of Juncus acutus for grazing animals and birds in delta. The Juncus acutus stem and seed samples were collected from Kizilirmak Delta in July, August and September. Heavy metal concentrations of collected samples were analyzed by Inductively Coupled Plasma – Mass Spectrometer (ICP-MS). The obtained mean values of three months for As, Cd, Sb, Ba, Pb and Hg of stem and seed samples of Juncus acutus were 0.11 and 0.23 mg/kg; 0.07 and 0.11 mg/kg; 0.02 and 0.02 mg/kg; 5.26 and 1.75 mg/kg; 0.05 and not detectable in July respectively. Hg was not detected in both stem and seed of Juncus acutus, Pb concentration was determined only in stem of Juncus acutus but not in seed. There were no significant differences between the values of three months for As, Cd, Sb, Ba, Pb and Hg of stem and seed samples of Juncus acutus. The obtained As, Cd, Sb, Ba, Pb and Hg results of stem and seed of Juncus acutus show that seed and stem of Juncus acutus may be safely consumed for grazing animals and birds regarding to heavy metals contamination in Kizilirmak Delta.Keywords: heavy metals, Juncus acutus, Kizilirmak Delta, wetland
Procedia PDF Downloads 1402039 Prevalence of Thyroid Disorders in Pregnancy in Northern Algeria
Authors: Samira Akdader-Oudahmane, Assia Kamel, Lynda Lakabi, Michael Bruce Zimmermann, Zohra Hamouli-Said, Djamila Meskine
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Background: Iodine is a trace element whose adequate intakes are essential during pregnancy to promote the correct growth and development of the fetus. Iodine deficiency is the cause of several disorders in foetal development, and thyroid disorders during pregnancy are associated with an increased risk of miscarriage or premature birth. The aim of this study was to assess the iodine status and thyroid function of pregnant women (PW) in northern Algeria. Methods: Healthy PW were recruited from an urban area (Algiers). Spot urine and venous blood samples were collected to assess iodine status (urinary iodine concentration, UIC) and serum thyroid hormones (TSH, FT4), and anti-thyroid peroxidase antibodies (TPO-Ab) concentrations. Results: The median UIC for the PW (n=172) in Algiers was 246,74µg/L, 244,68 µg/L, and 220,63µg/L, respectively, during the first, second, and third trimesters of pregnancy. Mean TSH and FT4 concentrations were within reference ranges in all groups of women. Among PW, 72.7%, 75.4%, and 75.5% in the first, second and third trimester were TPO-Ab+. Among PW, 14%, 10%, and 10% in the first, second and third trimester, respectively, with TPO -Ab+ had subclinical hypothyroidism. An analysis of the variations in the levels of the serum parameters (FT4, TSH and anti-TPO antibodies) was analyzed according to the UIC intervals admitted and show that these marker are predictive of thyroid function. Conclusion: In northern Algeria, median UICs indicate iodine sufficiency in PW. About 75% of PW are TPO-Ab+ and the prevalence of subclinical hypothyroidism is high.Keywords: thyroid, pregnant woman, urinary iodine, subclinical hypothyroidism
Procedia PDF Downloads 792038 Low Field Microwave Absorption and Magnetic Anisotropy in TM Co-Doped ZnO System
Authors: J. Das, T. S. Mahule, V. V. Srinivasu
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Electron spin resonance (ESR) study at 9.45 GHz and a field modulation frequency of 100Hz was performed on bulk polycrystalline samples of Mn:TM (Fe/Ni) and Mn:RE (Gd/Sm) co doped ZnO samples with composition Zn1-xMn:TM/RE)xO synthesised by solid state reaction route and sintered at 500 0C temperature. The room temperature microwave absorption data collected by sweeping the DC magnetic field from -500 to 9500 G for the Mn:Fe and Mn:Ni co doped ZnO samples exhibit a rarely reported non resonant low field absorption (NRLFA) in addition to a strong absorption at around 3350G, usually associated with ferromagnetic resonance (FMR) satisfying Larmor’s relation due to absorption in the full saturation state. Observed low field absorption is distinct to ferromagnetic resonance even at low temperature and shows hysteresis. Interestingly, it shows a phase opposite with respect to the main ESR signal of the samples, which indicates that the low field absorption has a minimum value at zero magnetic field whereas the ESR signal has a maximum value. The major resonance peak as well as the peak corresponding to low field absorption exhibit asymmetric nature indicating magnetic anisotropy in the sample normally associated with intrinsic ferromagnetism. Anisotropy parameter for Mn:Ni codoped ZnO sample is noticed to be quite higher. The g values also support the presence of oxygen vacancies and clusters in the samples. These samples have shown room temperature ferromagnetism in the SQUID measurement. However, in rare earth (RE) co doped samples (Zn1-x (Mn: Gd/Sm)xO), which show paramagnetic behavior at room temperature, the low field microwave signals are not observed. As microwave currents due to itinerary electrons can lead to ohmic losses inside the sample, we speculate that more delocalized 3d electrons contributed from the TM dopants facilitate such microwave currents leading to the loss and hence absorption at the low field which is also supported by the increase in current with increased micro wave power. Besides, since Fe and Ni has intrinsic spin polarization with polarisability of around 45%, doping of Fe and Ni is expected to enhance the spin polarization related effect in ZnO. We emphasize that in this case Fe and Ni doping contribute to polarized current which interacts with the magnetization (spin) vector and get scattered giving rise to the absorption loss.Keywords: co-doping, electron spin resonance, hysteresis, non-resonant microwave absorption
Procedia PDF Downloads 3142037 Aqueous Two Phase Extraction of Jonesia denitrificans Xylanase 6 in PEG 1000/Phosphate System
Authors: Nawel Boucherba, Azzedine Bettache, Abdelaziz Messis, Francis Duchiron, Said Benallaoua
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The impetus for research in the field of bioseparation has been sparked by the difficulty and complexity in the downstream processing of biological products. Indeed, 50% to 90% of the production cost for a typical biological product resides in the purification strategy. There is a need for efficient and economical large scale bioseparation techniques which will achieve high purity and high recovery while maintaining the biological activity of the molecule. One such purification technique which meets these criteria involves the partitioning of biomolecules between two immiscible phases in an aqueous system (ATPS). The Production of xylanases is carried out in 500ml of a liquid medium based on birchwood xylan. In each ATPS, PEG 1000 is added to a mixture consisting of dipotassium phosphate, sodium chloride and the culture medium inoculated with the strain Jonesia denitrificans, the mixture was adjusted to different pH. The concentration of PEG 1000 was varied: 8 to 16 % and the NaCl percentages are also varied from 2 to 4% while maintaining the other parameters constant. The results showed that the best ATPS for purification of xylanases is composed of PEG 1000 at 8.33%, 13.14 % of K2HPO4, 1.62% NaCl at pH 7. We obtained a yield of 96.62 %, a partition coefficient of 86.66 and a purification factor of 2.9. The zymogram showed that the activity is mainly detected in the top phase.Keywords: Jonesia denitrificans BN13, xylanase, aqueous two phases system, zymogram
Procedia PDF Downloads 3992036 Effect of Chromium Behavior on Mechanical and Electrical Properties Of P/M Copper-Chromium Alloy Dispersed with VGCF
Authors: Hisashi Imai, Kuan-Yu Chen, Katsuyoshi Kondoh, Hung-Yin Tsai, Junko Umeda
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Microstructural and electrical properties of copper-chromium alloy (Cu-Cr) dispersed with vapor-grown carbon fiber (VGCF) prepared by powder metallurgy (P/M) process have been investigated. Cu-0.7 mass% Cr pre-alloyed powder (Cu-Cr) made by water atomization process was used as raw materials, which contained solid solute Cr elements in Cu matrix. The alloy powder coated with un-bundled VGCF by using oil coating process was consolidated at 1223 K in vacuum by spark plasma sintering, and then extruded at 1073 K. The extruded Cu-Cr alloy (monolithic alloy) had 209.3 MPa YS and 80.4 IACS% conductivity. The extruded Cu-Cr with 0.1 mass% VGCF composites revealed a small decrease of YS compared to the monolithic Cu-Cr alloy. On the other hand, the composite had a higher electrical conductivity than that of the monolithic alloy. For example, Cu-Cr with 0.1 mass% VGCF composite sintered for 5 h showed 182.7 MPa YS and 89.7 IACS% conductivity. In the case of Cu-Cr with VGCFs composites, the Cr concentration was observed around VGCF by SEM-EDS analysis, where Cr23C6 compounds were detected by TEM observation. The amount of Cr solid solution in the matrix of the Cu-Cr composites alloy was about 50% compared to the monolithic Cu-Cr sintered alloy, and resulted in the remarkable increment of the electrical conductivity.Keywords: powder metallurgy Cu-Cr alloy powder, vapor-grown carbon fiber, electrical conductivity
Procedia PDF Downloads 4932035 Derivation of Fragility Functions of Marine Drilling Risers Under Ocean Environment
Authors: Pranjal Srivastava, Piyali Sengupta
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The performance of marine drilling risers is crucial in the offshore oil and gas industry to ensure safe drilling operation with minimum downtime. Experimental investigations on marine drilling risers are limited in the literature owing to the expensive and exhaustive test setup required to replicate the realistic riser model and ocean environment in the laboratory. Therefore, this study presents an analytical model of marine drilling riser for determining its fragility under ocean environmental loading. In this study, the marine drilling riser is idealized as a continuous beam having a concentric circular cross-section. Hydrodynamic loading acting on the marine drilling riser is determined by Morison’s equations. By considering the equilibrium of forces on the marine drilling riser for the connected and normal drilling conditions, the governing partial differential equations in terms of independent variables z (depth) and t (time) are derived. Subsequently, the Runge Kutta method and Finite Difference Method are employed for solving the partial differential equations arising from the analytical model. The proposed analytical approach is successfully validated with respect to the experimental results from the literature. From the dynamic analysis results of the proposed analytical approach, the critical design parameters peak displacements, upper and lower flex joint rotations and von Mises stresses of marine drilling risers are determined. An extensive parametric study is conducted to explore the effects of top tension, drilling depth, ocean current speed and platform drift on the critical design parameters of the marine drilling riser. Thereafter, incremental dynamic analysis is performed to derive the fragility functions of shallow water and deep-water marine drilling risers under ocean environmental loading. The proposed methodology can also be adopted for downtime estimation of marine drilling risers incorporating the ranges of uncertainties associated with the ocean environment, especially at deep and ultra-deepwater.Keywords: drilling riser, marine, analytical model, fragility
Procedia PDF Downloads 1472034 Empirical Modeling and Optimization of Laser Welding of AISI 304 Stainless Steel
Authors: Nikhil Kumar, Asish Bandyopadhyay
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Laser welding process is a capable technology for forming the automobile, microelectronics, marine and aerospace parts etc. In the present work, a mathematical and statistical approach is adopted to study the laser welding of AISI 304 stainless steel. A robotic control 500 W pulsed Nd:YAG laser source with 1064 nm wavelength has been used for welding purpose. Butt joints are made. The effects of welding parameters, namely; laser power, scanning speed and pulse width on the seam width and depth of penetration has been investigated using the empirical models developed by response surface methodology (RSM). Weld quality is directly correlated with the weld geometry. Twenty sets of experiments have been conducted as per central composite design (CCD) design matrix. The second order mathematical model has been developed for predicting the desired responses. The results of ANOVA indicate that the laser power has the most significant effect on responses. Microstructural analysis as well as hardness of the selected weld specimens has been carried out to understand the metallurgical and mechanical behaviour of the weld. Average micro-hardness of the weld is observed to be higher than the base metal. Higher hardness of the weld is the resultant of grain refinement and δ-ferrite formation in the weld structure. The result suggests that the lower line energy generally produce fine grain structure and improved mechanical properties than the high line energy. The combined effects of input parameters on responses have been analyzed with the help of developed 3-D response surface and contour plots. Finally, multi-objective optimization has been conducted for producing weld joint with complete penetration, minimum seam width and acceptable welding profile. Confirmatory tests have been conducted at optimum parametric conditions to validate the applied optimization technique.Keywords: ANOVA, laser welding, modeling and optimization, response surface methodology
Procedia PDF Downloads 2952033 Kinetics, Equilibrium and Thermodynamic Studies on Adsorption of Reactive Blue 29 from Aqueous Solution Using Activated Tamarind Kernel Powder
Authors: E. D. Paul, A. D. Adams, O. Sunmonu, U. S. Ishiaku
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Activated tamarind kernel powder (ATKP) was prepared from tamarind fruit (Tamarindus indica), and utilized for the removal of Reactive Blue 29 (RB29) from its aqueous solution. The powder was activated using 4N nitric acid (HNO₃). The adsorbent was characterised using infrared spectroscopy, bulk density, ash content, pH, moisture content and dry matter content measurements. The effect of various parameters which include; temperature, pH, adsorbent dosage, ion concentration, and contact time were studied. Four different equilibrium isotherm models were tested on the experimental data, but the Temkin isotherm model was best-fitted into the experimental data. The pseudo-first order and pseudo-second-order kinetic models were also fitted into the graphs, but pseudo-second order was best fitted to the experimental data. The thermodynamic parameters showed that the adsorption of Reactive Blue 29 onto activated tamarind kernel powder is a physical process, feasible and spontaneous, exothermic in nature and there is decreased randomness at the solid/solution interphase during the adsorption process. Therefore, activated tamarind kernel powder has proven to be a very good adsorbent for the removal of Reactive Blue 29 dyes from industrial waste water.Keywords: tamarind kernel powder, reactive blue 29, isotherms, kinetics
Procedia PDF Downloads 2482032 Development of Lipid Architectonics for Improving Efficacy and Ameliorating the Oral Bioavailability of Elvitegravir
Authors: Bushra Nabi, Saleha Rehman, Sanjula Baboota, Javed Ali
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Aim: The objective of research undertaken is analytical method validation (HPLC method) of an anti-HIV drug Elvitegravir (EVG). Additionally carrying out the forced degradation studies of the drug under different stress conditions to determine its stability. It is envisaged in order to determine the suitable technique for drug estimation, which would be employed in further research. Furthermore, comparative pharmacokinetic profile of the drug from lipid architectonics and drug suspension would be obtained post oral administration. Method: Lipid Architectonics (LA) of EVR was formulated using probe sonication technique and optimized using QbD (Box-Behnken design). For the estimation of drug during further analysis HPLC method has been validation on the parameters (Linearity, Precision, Accuracy, Robustness) and Limit of Detection (LOD) and Limit of Quantification (LOQ) has been determined. Furthermore, HPLC quantification of forced degradation studies was carried out under different stress conditions (acid induced, base induced, oxidative, photolytic and thermal). For pharmacokinetic (PK) study, Albino Wistar rats were used weighing between 200-250g. Different formulations were given per oral route, and blood was collected at designated time intervals. A plasma concentration profile over time was plotted from which the following parameters were determined:Keywords: AIDS, Elvitegravir, HPLC, nanostructured lipid carriers, pharmacokinetics
Procedia PDF Downloads 1382031 Statistical Characteristics of Code Formula for Design of Concrete Structures
Authors: Inyeol Paik, Ah-Ryang Kim
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In this research, a statistical analysis is carried out to examine the statistical properties of the formula given in the design code for concrete structures. The design formulas of the Korea highway bridge design code - the limit state design method (KHBDC) which is the current national bridge design code and the design code for concrete structures by Korea Concrete Institute (KCI) are applied for the analysis. The safety levels provided by the strength formulas of the design codes are defined based on the probabilistic and statistical theory.KHBDC is a reliability-based design code. The load and resistance factors of this code were calibrated to attain the target reliability index. It is essential to define the statistical properties for the design formulas in this calibration process. In general, the statistical characteristics of a member strength are due to the following three factors. The first is due to the difference between the material strength of the actual construction and that used in the design calculation. The second is the difference between the actual dimensions of the constructed sections and those used in design calculation. The third is the difference between the strength of the actual member and the formula simplified for the design calculation. In this paper, the statistical study is focused on the third difference. The formulas for calculating the shear strength of concrete members are presented in different ways in KHBDC and KCI. In this study, the statistical properties of design formulas were obtained through comparison with the database which comprises the experimental results from the reference publications. The test specimen was either reinforced with the shear stirrup or not. For an applied database, the bias factor was about 1.12 and the coefficient of variation was about 0.18. By applying the statistical properties of the design formula to the reliability analysis, it is shown that the resistance factors of the current design codes satisfy the target reliability indexes of both codes. Also, the minimum resistance factors of the KHBDC which is written in the material resistance factor format and KCE which is in the member resistance format are obtained and the results are presented. A further research is underway to calibrate the resistance factors of the high strength and high-performance concrete design guide.Keywords: concrete design code, reliability analysis, resistance factor, shear strength, statistical property
Procedia PDF Downloads 3192030 Isolation and Antifungal Susceptibility Pattern of Candida albicans from Endocervical and High Vaginal Swabs of Pregnant Women Attending State Specialist Hospital Gombe, Nigeria
Authors: Isa Shu’aibu, A. A. Mu’inat, F. U. Maigari, M. A. Mani
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Candida albicans is the common cause of both oral and vaginal candidiasis in humans. This candidiasis leads to a wide range of physical, psychological and even physiological problems in humans particularly pregnant women. Samples of endocervical and high vaginal swab were collected from 200 women attending Gombe Specialist Hospital and inoculated on Saboraud Dextrose Agar (SDA) incorporated with chloramphenicol to get rid of the unwanted bacterial contaminants. Gram staining technique and germ tube test were employed for the identification, as Candida albicans is positive for both. Gram positive samples were 70% (n=140) and were further subjected to germ tube test. The remaining 30% (n=60) were found to be Gram negative. 90% (n=126) of the Gram positive ones isolated were also found to be positive for germ tube test; confirming the presence of Candida albicans. Antifungal susceptibility testing revealed that members of Imidazole (Ketoconazole, Miconazole) and those of Triazoles (Fluconazole and Itraconazole) were found to be more effective at concentrations of 20, 50 and 100 µg/disc compared to Griseofulvin (Fulcin) with only 26.00 mm zone of inhibition at 100 µg/disc concentration.Keywords: Candida albicans, candidiasis, endocervical, vaginal swab, antifungal susceptibility, imidazole, triazoles
Procedia PDF Downloads 3322029 Effects of Drought Stress on Red Bean (Phaseolus vulgaris L.) Cultivars during Post-Flowering Growth Stage
Authors: Fariborz Shekari, Abdollah Javanmard, Amin Abbasi
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A pot experiment conducted to evaluate the response of two red bean cultivars, Sayad and Derakhshan, to water deficit stress during post-flowering growth stage and recovery potential of plants after stress. Treatments were included regular irrigation or control, water deficit during flowering stage, water deficit during pod formation and water deficit during pod filling period. Results showed that plant height had positive effects on yield of cultivars so that, the tall cultivar, ‘Sayad’, had higher yields. Stress application during flowering stage showed the highest negative impact on plant height and subsequently yield. The longest and the higher number of pods as well as the greatest number of seeds in pods were recorded in control treatment in ‘Sayad’. Stress application during pod formation resulted in the minimum amount of all studied traits in both cultivars. Stress encountered during seed filling period had the least effect on number and length of pods and seed/pod. However, 100 seeds weight significantly decreased. The highest amount for 100 seeds weight was record in control plants in ‘Derakhshan’. Under all treatments, ‘Sayad’ had higher biologic and seed yield compared to ‘Derakhshan’. The least amount of yield was recorded during stress application in pod formation and flowering period for ‘Sayad’ and ‘Derakhshan’ respectively. Harvest index of ‘Sayad’ was more affect by stress application. Data related to photosynthetic rate showed that during stress application, ‘Derakhshan’ owned rapid decline in photosynthesis. Beyond stress alleviation and onset of irrigation, recovery potential of ‘Sayad’ was higher than ‘Derakhshan’ and this cultivar was able to rapidly restore the photosynthesis rate of stress faced plants near control ones. In total, stress had lower impacts on photosynthetic rate of ‘Sayad’ cultivar.Keywords: common bean, water stress, yield, yield components, photosynthetic rate
Procedia PDF Downloads 3022028 Investigation of Corrosion Inhibition Potential of Acalypha chamaedrifolia Leaves Extract towards Mild Steel in Acid Medium
Authors: Stephen Eyije Abechi, Casimir Emmanuel Gimba, Zaharaddeen Nasiru Garba, Sani Shamsudeen, David Ebuka Authur
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Corrosion inhibition of mild steel in acid medium using Acalypha chamaedrifolia leaves extract as potential green inhibitor was investigated. Gravimetric (weight loss) technique was used for the corrosion studies. Mild steel coupons of 2cm × 1cm × 0.27 cm dimensions were exposed for varying durations of between 24 to 120 hours, in 1M HCl medium containing a varying concentrations of the leaves extract (0.25g/L, - 1.25g/L). The results show that corrosion rates dropped from a value of 0.49 mgcm-2hr-1 for the uninhibited medium to a value of 0.15 mgcm-2hr-1 for the inhibited medium of 1M HCl in 0.25 g/l of the extract. Values of corrosion inhibition efficiencies of 70.38-85.11% were observed as the concentration of the inhibitor were increased from 0.25g/L, - 1.25g/L. Corrosion Inhibition was found to increase with increase in immersion time and temperature. The magnitude of the Ea indicates that the interaction between the metal surface and the inhibitor was chemisorptions. The Adsorption process fit into the Langmuir isotherm model with a correlation coefficient of 0.97. Evidence from molecular dynamics model shows that Methyl stearate (Line 5) and (3Z, 13Z)-2-methyloctadeca-3,13-dien-1-ol (line 11) were found to have the highest binding energy of -197.69 ± 3.12 and-194.56 ± 10.04 in kcal/mol respectively. The binding energy of these compounds indicates that they would be a very good corrosion inhibitor for mild steel and other Fe related materials.Keywords: binding energy, corrosion, inhibitor, langmuir isotherm, mild steel
Procedia PDF Downloads 3612027 Disposition Kinetics of Ciprofloxacin after Intramuscular Administration in Lohi Sheep
Authors: Zahid Iqbal, Ijaz Javed, Riaz Hussain, Ibadullah Jan, Amir Ali Khan
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This study was conducted to investigate the disposition kinetics of ciprofloxacin and calculate its optimal dosage in Pakistani sheep of Lohi breed. Injectable preparation of ciprofloxacin was given intramuscularly to eight sheep at a dose of 5 mg/Kg. Before administration of drug blood sample was drawn from each animal. Post drug administration, blood samples were also drawn at various predetermined time periods. Drug concentration in the blood samples was assessed through high performance liquid chromatograph (HPLC). Data were best described by two compartment open model and different pharmacokinetic (PK) parameters were calculated. Cmax of 1.97 ± 0.15 µg/ml was reached at Tmax of 0.88 ± 0.09 hours. Half life of absorption (t1/2 abs) was observed to be 0.63 ± 0.16 hours while t1/2 α (distribution half life) and t1/2 ß (elimination half life) were found to be 0.46 ± 0.05 and 2.93 ± 0.45 hours, respectively. Vd (apparent volume of distribution) was calculated as 2.89 ± 0.30 L/kg while AUC (area under the curve) was 7.19 ± 0.38 µg.hr/mL and CL (total body clearance) was 0.75 ± 0.04 L/hr/kg. Using these parameters, an optimal intramuscular dosage of ciprofloxacin in adult Lohi sheep was calculated as 21.43 mg/kg, advised to be repeated after 24 hours. From this, we came to the conclusion that calculated dose was much higher than the dose advised by the foreign manufacturer and to avoid antimicrobial resistance, it is advised that this locally investigated dosage regimen should be strictly followed in local sheep.Keywords: pharmacokinetics, dosage regimen, ciprofloxacin, HPLC, sheep
Procedia PDF Downloads 5392026 Characteristics of Regional Issues in Local Municipalities of Japan in Consideration of Socio-Economic Condition
Authors: Akiko Kondo, Akio Kondo
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We are facing serious problems related to a long-term depopulation and an aging society with a falling birth rate in Japan. In this situation, we are suffering from a shortfall in human resources as well as a shortage of workforce in rural regions. In addition, we are struggling with a protracted economic slump and excess concentration of population in the Tokyo Metropolitan area. It is an urgent national issue to consider how to live in this country and what kind of structure of society and administration policy is needed. It is necessary to clarify people’s desire for their way of living and social assistance to be provided. The aim of this study is to clarify the characteristics of regional issues and the degree of their seriousness in local municipalities of Japan. We conducted a questionnaire survey about regional agenda in all local municipalities in Japan. We obtained responses concerning the degree of seriousness of regional issues and degree of importance of policies. Based on the data gathered from the survey, it is apparent that many local municipalities are facing an aging population and declining population. We constructed a model to analyze factors for declining population. Using the model, it was clarified that a population’s age structure, job opportunities, and income level affect the decline of population. In addition, we showed the way of the evaluation of the state of a local municipality.Keywords: evaluation, local municipality, regional analysis, regional issue
Procedia PDF Downloads 2882025 Metal-Organic Frameworks-Based Materials for Volatile Organic Compounds Sensing Applications: Strategies to Improve Sensing Performances
Authors: Claudio Clemente, Valentina Gargiulo, Alessio Occhicone, Giovanni Piero Pepe, Giovanni Ausanio, Michela Alfè
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Volatile organic compound (VOC) emissions represent a serious risk to human health and the integrity of the ecosystems, especially at high concentrations. For this reason, it is very important to continuously monitor environmental quality and develop fast and reliable portable sensors to allow analysis on site. Chemiresistors have become promising candidates for VOC sensing as their ease of fabrication, variety of suitable sensitive materials, and simple sensing data. A chemoresistive gas sensor is a transducer that allows to measure the concentration of an analyte in the gas phase because the changes in resistance are proportional to the amount of the analyte present. The selection of the sensitive material, which interacts with the target analyte, is very important for the sensor performance. The most used VOC detection materials are metal oxides (MOx) for their rapid recovery, high sensitivity to various gas molecules, easy fabrication. Their sensing performance can be improved in terms of operating temperature, selectivity, and detection limit. Metal-organic frameworks (MOFs) have attracted a lot of attention also in the field of gas sensing due to their high porosity, high surface area, tunable morphologies, structural variety. MOFs are generated by the self-assembly of multidentate organic ligands connecting with adjacent multivalent metal nodes via strong coordination interactions, producing stable and highly ordered crystalline porous materials with well-designed structures. However, most MOFs intrinsically exhibit low electrical conductivity. To improve this property, MOFs can be combined with organic and inorganic materials in a hybrid fashion to produce composite materials or can be transformed into more stable structures. MOFs, indeed, can be employed as the precursors of metal oxides with well-designed architectures via the calcination method. The MOF-derived MOx partially preserved the original structure with high surface area and intrinsic open pores, which act as trapping centers for gas molecules, and showed a higher electrical conductivity. Core-shell heterostructures, in which the surface of a metal oxide core is completely coated by a MOF shell, forming a junction at the core-shell heterointerface, can also be synthesized. Also, nanocomposite in which MOF structures are intercalated with graphene related materials can also be produced, and the conductivity increases thanks to the high mobility of electrons of carbon materials. As MOF structures, zinc-based MOFs belonging to the ZIF family were selected in this work. Several Zn-based materials based and/or derived from MOFs were produced, structurally characterized, and arranged in a chemo resistive architecture, also exploring the potentiality of different approaches of sensing layer deposition based on PLD (pulsed laser deposition) and, in case of thermally labile materials, MAPLE (Matrix Assisted Pulsed Laser Evaporation) to enhance the adhesion to the support. The sensors were tested in a controlled humidity chamber, allowing for the possibility of varying the concentration of ethanol, a typical analyte chosen among the VOCs for a first survey. The effect of heating the chemiresistor to improve sensing performances was also explored. Future research will focus on exploring new manufacturing processes for MOF-based gas sensors with the aim to improve sensitivity, selectivity and reduce operating temperatures.Keywords: chemiresistors, gas sensors, graphene related materials, laser deposition, MAPLE, metal-organic frameworks, metal oxides, nanocomposites, sensing performance, transduction mechanism, volatile organic compounds
Procedia PDF Downloads 642024 Polymerspolyaniline/CMK-3/Hydroquinone Composite Electrode for Supercapacitor Application
Authors: Hu-Cheng Weng, Jhen-Ting Huang, Chia-Chia Chang, An-Ya Lo
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In this study, carbon mesoporous material, CMK-3, was adopted as supporting material for electroactive polymerspolyaniline (PANI), polyaniline, for supercapacitor application, where hydroquinone (HQ) was integrated to enhance the redox reaction of PANI. The results show that the addition of PANI improves the capacitance of electrode from 89 F/g (CMK-3) to 337 F/g (PANI/CMK-3), the addition of HQ furtherly improves the capacitance to 463 F/g (PANI/CMK-3/HQ). The PANI provides higher energy density and also acts as binder of the electrode; the CMK-3 provides higher electron double layer capacitance EDLC and stabilize the polyaniline by its highly porosity. With the addition of HQ, the capacitance of PANI/CMK-3 was further enhanced. In-situ analyses including cyclic voltammetry (CV), chronopotentiometry (CP), electron impedance spectrum (EIS) analyses were applied for electrode performance examination. For materials characterization, the crystal structure, morphology, microstructure, and porosity were examined by X-ray diffraction (XRD), scanning electron microscope (SEM), and transmission electron microscopy (TEM), and 77K N2 adsorption/desorption analyses, respectively. The effects of electrolyte pH value, PANI polymerization time, HQ concentration, and PANI/CMK-3 ratio on capacitance were discussed. The durability was also studied by long-term operation test. The results show that PANI/CMK-3/HQ with great potential for supercapacitor application. Finally, the potential of all-solid PANI/CMK-3/HQ based supercapacitor was successfully demonstrated.Keywords: CMK3, PANI, redox electrolyte, solid supercapacitor
Procedia PDF Downloads 1372023 Smart Help at the Workplace for Persons with Disabilities (SHW-PWD)
Authors: Ghassan Kbar, Shady Aly, Ibrahim Alsharawy, Akshay Bhatia, Nur Alhasan, Ronaldo Enriquez
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The Smart Help for persons with disability (PWD) is a part of the project SMARTDISABLE which aims to develop relevant solution for PWD that target to provide an adequate workplace environment for them. It would support PWD needs smartly through smart help to allow them access to relevant information and communicate with other effectively and flexibly, and smart editor that assist them in their daily work. It will assist PWD in knowledge processing and creation as well as being able to be productive at the work place. The technical work of the project involves design of a technological scenario for the Ambient Intelligence (AmI) - based assistive technologies at the workplace consisting of an integrated universal smart solution that suits many different impairment conditions and will be designed to empower the Physically disabled persons (PDP) with the capability to access and effectively utilize the ICTs in order to execute knowledge rich working tasks with minimum efforts and with sufficient comfort level. The proposed technology solution for PWD will support voice recognition along with normal keyboard and mouse to control the smart help and smart editor with dynamic auto display interface that satisfies the requirements for different PWD group. In addition, a smart help will provide intelligent intervention based on the behavior of PWD to guide them and warn them about possible misbehavior. PWD can communicate with others using Voice over IP controlled by voice recognition. Moreover, Auto Emergency Help Response would be supported to assist PWD in case of emergency. This proposed technology solution intended to make PWD very effective at the work environment and flexible using voice to conduct their tasks at the work environment. The proposed solution aims to provide favorable outcomes that assist PWD at the work place, with the opportunity to participate in PWD assistive technology innovation market which is still small and rapidly growing as well as upgrading their quality of life to become similar to the normal people at the workplace. Finally, the proposed smart help solution is applicable in all workplace setting, including offices, manufacturing, hospital, etc.Keywords: ambient intelligence, ICT, persons with disability PWD, smart application, SHW
Procedia PDF Downloads 4232022 Pharmacophore-Based Modeling of a Series of Human Glutaminyl Cyclase Inhibitors to Identify Lead Molecules by Virtual Screening, Molecular Docking and Molecular Dynamics Simulation Study
Authors: Ankur Chaudhuri, Sibani Sen Chakraborty
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In human, glutaminyl cyclase activity is highly abundant in neuronal and secretory tissues and is preferentially restricted to hypothalamus and pituitary. The N-terminal modification of β-amyloids (Aβs) peptides by the generation of a pyro-glutamyl (pGlu) modified Aβs (pE-Aβs) is an important process in the initiation of the formation of neurotoxic plaques in Alzheimer’s disease (AD). This process is catalyzed by glutaminyl cyclase (QC). The expression of QC is characteristically up-regulated in the early stage of AD, and the hallmark of the inhibition of QC is the prevention of the formation of pE-Aβs and plaques. A computer-aided drug design (CADD) process was employed to give an idea for the designing of potentially active compounds to understand the inhibitory potency against human glutaminyl cyclase (QC). This work elaborates the ligand-based and structure-based pharmacophore exploration of glutaminyl cyclase (QC) by using the known inhibitors. Three dimensional (3D) quantitative structure-activity relationship (QSAR) methods were applied to 154 compounds with known IC50 values. All the inhibitors were divided into two sets, training-set, and test-sets. Generally, training-set was used to build the quantitative pharmacophore model based on the principle of structural diversity, whereas the test-set was employed to evaluate the predictive ability of the pharmacophore hypotheses. A chemical feature-based pharmacophore model was generated from the known 92 training-set compounds by HypoGen module implemented in Discovery Studio 2017 R2 software package. The best hypothesis was selected (Hypo1) based upon the highest correlation coefficient (0.8906), lowest total cost (463.72), and the lowest root mean square deviation (2.24Å) values. The highest correlation coefficient value indicates greater predictive activity of the hypothesis, whereas the lower root mean square deviation signifies a small deviation of experimental activity from the predicted one. The best pharmacophore model (Hypo1) of the candidate inhibitors predicted comprised four features: two hydrogen bond acceptor, one hydrogen bond donor, and one hydrophobic feature. The Hypo1 was validated by several parameters such as test set activity prediction, cost analysis, Fischer's randomization test, leave-one-out method, and heat map of ligand profiler. The predicted features were then used for virtual screening of potential compounds from NCI, ASINEX, Maybridge and Chembridge databases. More than seven million compounds were used for this purpose. The hit compounds were filtered by drug-likeness and pharmacokinetics properties. The selective hits were docked to the high-resolution three-dimensional structure of the target protein glutaminyl cyclase (PDB ID: 2AFU/2AFW) to filter these hits further. To validate the molecular docking results, the most active compound from the dataset was selected as a reference molecule. From the density functional theory (DFT) study, ten molecules were selected based on their highest HOMO (highest occupied molecular orbitals) energy and the lowest bandgap values. Molecular dynamics simulations with explicit solvation systems of the final ten hit compounds revealed that a large number of non-covalent interactions were formed with the binding site of the human glutaminyl cyclase. It was suggested that the hit compounds reported in this study could help in future designing of potent inhibitors as leads against human glutaminyl cyclase.Keywords: glutaminyl cyclase, hit lead, pharmacophore model, simulation
Procedia PDF Downloads 1312021 Magnetic Field Induced Mechanical Behavior of Fluid Filled Carbon Nanotube Foam
Authors: Siva Kumar Reddy, Anwesha Mukherjee, Abha Misra
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Excellent energy absorption capability in carbon nanotubes (CNT) is shown in their bulk structure that behaves like super compressible foam. Furthermore, a tunable mechanical behavior of CNT foam is achieved using several methods like changing the concentration of precursors, polymer impregnation, non covalent functionalization of CNT microstructure etc. Influence of magnetic field on compressive behavior of magnetic CNT demonstrated an enhanced peak stress and energy absorption capability, which does not require any surface and structural modification of the foam. This presentation discusses the mechanical behavior of micro porous CNT foam that is impregnated in magnetic field responsive fluid. Magnetic particles are dispersed in a nonmagnetic fluid so that alignment of both particles and CNT could play a crucial role in controlling the stiffness of the overall structure. It is revealed that the compressive behavior of CNT foam critically depends on the fluid viscosity as well as magnetic field intensity. Both peak Stress and energy absorption in CNT foam followed a power law behavior with the increase in the magnetic field intensity. However, in the absence of magnetic field, both peak stress and energy absorption capability of CNT foam presented a linear dependence on the fluid viscosity. Hence, this work demonstrates the role magnetic filed in controlling the mechanical behavior of the foams prepared at nanoscale.Keywords: carbon nanotubes, magnetic field, energy absorption capability and viscosity
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