Search results for: binding constant
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2874

Search results for: binding constant

1554 Data Analysis to Uncover Terrorist Attacks Using Data Mining Techniques

Authors: Saima Nazir, Mustansar Ali Ghazanfar, Sanay Muhammad Umar Saeed, Muhammad Awais Azam, Saad Ali Alahmari

Abstract:

Terrorism is an important and challenging concern. The entire world is threatened by only few sophisticated terrorist groups and especially in Gulf Region and Pakistan, it has become extremely destructive phenomena in recent years. Predicting the pattern of attack type, attack group and target type is an intricate task. This study offers new insight on terrorist group’s attack type and its chosen target. This research paper proposes a framework for prediction of terrorist attacks using the historical data and making an association between terrorist group, their attack type and target. Analysis shows that the number of attacks per year will keep on increasing, and Al-Harmayan in Saudi Arabia, Al-Qai’da in Gulf Region and Tehreek-e-Taliban in Pakistan will remain responsible for many future terrorist attacks. Top main targets of each group will be private citizen & property, police, government and military sector under constant circumstances.

Keywords: data mining, counter terrorism, machine learning, SVM

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1553 Effects of Upstream Wall Roughness on Separated Turbulent Flow over a Forward Facing Step in an Open Channel

Authors: S. M. Rifat, André L. Marchildon, Mark F. Tachie

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The effect of upstream surface roughness over a smooth forward facing step in an open channel was investigated using a particle image velocimetry technique. Three different upstream surface topographies consisting of hydraulically smooth wall, sandpaper 36 grit and sand grains were examined. Besides the wall roughness conditions, all other upstream flow characteristics were kept constant. It was also observed that upstream roughness decreased the approach velocity by 2% and 10% but increased the turbulence intensity by 14% and 35% at the wall-normal distance corresponding to the top plane of the step compared to smooth upstream. The results showed that roughness decreased the reattachment lengths by 14% and 30% compared to smooth upstream. Although the magnitudes of maximum positive and negative Reynolds shear stress in separated and reattached region were 0.02Ue for all the cases, the physical size of both the maximum and minimum contour levels were decreased by increasing upstream roughness.

Keywords: forward facing step, open channel, separated and reattached turbulent flows, wall roughness

Procedia PDF Downloads 355
1552 Effect of Dietary Cellulose Levels on the Growth Parameters of Nile Tilapia Oreochromis Niloticus Fingerlings

Authors: Keri Alhadi Ighwela, Aziz Bin Ahmad, A. B. Abol-Munafi

Abstract:

Three purified diets were formulated using fish meal, soya bean, wheat flour, palm oil, minerals and maltose. The carbohydrate in the diets was increased from 5 to 15% by changing the cellulose content to study the effect of dietary carbohydrate level on the growth parameters of Nile tilapia Oreochromis niloticus.The protein and the lipid contents were kept constant in all the diets. The results showed that, weight gain, protein efficiency ratio, net protein utilisation and hepatosomatic index of fish fed the diet containing 15% cellulose were the lowest among all groups. Addition, the fish fed the diet containing 5% cellulose had the best specific growth rate, and food conversion ratio. While, there was no effect of the dietary cellulose levels on condition factor and survival rate. These results indicate that Nile tilapia fingerlings are able to utilize dietary cellulose does not exceed 10% in their feed for optimum growth.

Keywords: dietary cellulose, growth parameters, oreochromis niloticus, purified diets

Procedia PDF Downloads 512
1551 Thermoelastic Analysis of a Tube Subjected to Internal Heating with Temperature Dependent Material Properties

Authors: Yasemin Kaya, Ahmet N. Eraslan

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In this study, the thermoelastic behavior of a long tube is studied by taking into account the temperature dependency of all mechanical and thermal properties. As the tube is heated slowly, an uncoupled solution procedure is adopted under free and radially constrained boundary conditions. The nonlinear heat conduction equation is solved by a finite element collocation procedure and the corresponding distributions of stress and strain are computed by shooting iterations. The computational model is verified in comparison to the analytical solution by shutting down the temperature dependency of physical properties. In the analysis, experimental data available in the literature is used to describe the coefficient of thermal expansion $\alpha$, the thermal conductivity $k$, the modulus of rigidity $G$, the yield strength $\sigma_{0}$, and the Poisson's ratio $\nu$ of Nickel. Results of the analysis are presented in comparison to those having constant physical properties. As a result of the calculations, the temperature dependency of the material properties should be taken into account at higher temperature ranges.

Keywords: thermoelasticity, long tube, temperature-dependent properties, internal heating

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1550 Numerical Study on the Effect of Obstacle Structure on Two-Phase Detonation Initiation

Authors: Ding Yu, Ge Yang, Wang Hong-Tao

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Aiming at the detonation performance and detonation wave propagation distance of liquid fuel detonation engine, the kerosene/oxygen-enriched air mixture is chosen as the research object; its detonation initiation and detonation wave propagation process by mild energy input are numerically studied by using Euler-Lagrange method in the present study. The effects of a semicircular obstacle, rectangular obstacle, and triangular obstacle on the detonation characteristic parameters in the detonation tube are compared and analyzed, and the effect of the angle between obstacle and flame propagation direction on flame propagation characteristics and detonation process when the blocking ratio is constant are studied. The results show that the flame propagation velocity decreases with the increase of the angle in the range of 0-90°, and when the angle is 0° which corresponds to the semicircle obstacle gets the highest detonation wave propagation velocity. With the increase of the angle in the range of 0-90°, DDT (Deflagration to detonation transition) distance decreases first and then increases.

Keywords: deflagration to detonation transition, numerical simulation, obstacle structure, turbulent flame

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1549 Insertion Loss Improvement of a Two-Port Saw Resonator Based on AlN via Alloying with Transition Metals

Authors: Kanouni Fares

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This paper describes application of X-doped AlN (X=Sc, Cr and Y) to wideband surface acoustic wave (SAW) resonators in 200–300 MHz range. First, it is shown theoretically that Cr doped AlN thin film has the highest piezoelectric strain constant, accompanied by a lowest mechanical softening compared to Sc doped AlScN and Y doped AlN thin films for transition metals concentrations ranging from 0 to 25%. Next, the impact of transition metals (Sc, Cr and Y) concentration have been carried out for the first time, in terms of surface wave velocity, electrode reflectivity, transduction coefficient and distributed finger capacitance. Finely, the insertion loss of two-port SAW resonator based on AlXN (X=Sc, Cr and Y) deposited on sapphire substrate is obtained using P-matrix model, and it is shown that AlCrN-SAW resonator exhibit lower insertion loss compared to those based on AlScN and AlYN for metal concentrations of 25%.This finding may position Cr doped AlN as a prime piezoelectric material for low loss SAW resonators whose performance can be tuned via Cr composition.

Keywords: P-Matrix, SAW-delay line, interdigital transducer, nitride aluminum, metals transition

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1548 Oxidative and Hormonal Disruptions Underlie Bisphenol A: Induced Testicular Toxicity in Male Rabbits

Authors: Kadry M. Sadek, Tarek K. Abouzed, Mousa A. Ayoub

Abstract:

The presence of endocrine-disrupting compounds, such as bisphenol A (BPA), in the environment can cause serious health problems. However, there are controversial opinions. This study investigated the reproductive, metabolic, oxidative and immunologic-disrupting effects of bisphenol A in male rabbits. Rabbits were divided into five groups. The first four rabbit groups were administered oral BPA (1, 10, 50, or 100 mg/kg/day) for ten weeks. The fifth group was administered corn oil as the vehicle. BPA significantly decreased serum testosterone, estradiol and the free androgen index (FAI) and significantly increased sex hormone binding globulin (SHBG) compared with the placebo group. The higher doses of BPA showed a significant decrease in follicular stimulating hormone (FSH) and luteinizing hormone (LH). A significant increase in blood glucose levels was identified in the BPA groups. The non-significant difference in insulin levels is a novel finding. The cumulative testicular toxicity of BPA was clearly demonstrated by the dose-dependent decrease in absolute testes weight, primary measures of semen quality and a significant increase in testicular malonaldehyde (MDA). Moreover, BPA significantly decreased total antioxidant capacity (TAC) and significantly increased immunoglobulin G (IgG) at the highest concentration. Our results suggest that BPA, especially at higher doses, is associated with many adverse effects on metabolism, oxidative stress, immunity, sperm quality and markers of androgenic action. These results may reflect the estrogenic effects of BPA, which we hypothesize could be related, in part, to an inhibitory effect on testicular steroidogenesis. The induction of oxidative stress by BPA may play an additional role in testicular toxicity. These results suggest that BPA poses a threat to endocrine and reproductive functions.

Keywords: bisphenol A, oxidative stress, rabbits, semen quality, steroidogenesis

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1547 Effect of Viscous Dissipation and Axial Conduction in Thermally Developing Region of the Channel Partially Filled with a Porous Material Subjected to Constant Wall Heat Flux

Authors: D Bhargavi, J. Sharath Kumar Reddy

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The present investigation has been undertaken to assess the effect of viscous dissipation and axial conduction on forced convection heat transfer in the entrance region of a parallel plate channel with the porous insert attached to both walls of the channel. The flow field is unidirectional. Flow in the porous region corresponds to Darcy-Brinkman model and the clear fluid region to that of plane Poiseuille flow. The effects of the parameters Darcy number, Da, Peclet number, Pe, Brinkman number, Br and a porous fraction γp on the local heat transfer coefficient are analyzed graphically. Effects of viscous dissipation employing the Darcy model and the clear fluid compatible model have been studied.

Keywords: porous material, channel partially filled with a porous material, axial conduction, viscous dissipation

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1546 Empirical Heat Transfer Correlations of Finned-Tube Heat Exchangers in Pulsatile Flow

Authors: Jason P. Michaud, Connor P. Speer, David A. Miller, David S. Nobes

Abstract:

An experimental study on finned-tube radiators has been conducted. Three radiators found in desktop computers sized for 120 mm fans were tested in steady and pulsatile flows of ambient air over a Reynolds number range of  50 < Re < 900. Water at 60 °C was circulated through the radiators to maintain a constant fin temperature during the tests. For steady flow, it was found that the heat transfer rate increased linearly with the mass flow rate of air. The pulsatile flow experiments showed that frequency of pulsation had a negligible effect on the heat transfer rate for the range of frequencies tested (0.5 Hz – 2.5 Hz). For all three radiators, the heat transfer rate was decreased in the case of pulsatile flow. Linear heat transfer correlations for steady and pulsatile flow were calculated in terms of Reynolds number and Nusselt number.

Keywords: finned-tube heat exchangers, heat transfer correlations, pulsatile flow, computer radiators

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1545 Comparative Proteomic Analysis of Rice bri1 Mutant Leaves at Jointing-Booting Stage

Authors: Jiang Xu, Daoping Wang, Yinghong Pan

Abstract:

The jointing-booting stage is a critical period of both vegetative growth and reproductive growth in rice. Therefore, the proteomic analysis of the mutant Osbri1, whose corresponding gene OsBRI1 encodes the putative BRs receptor OsBRI1, at jointing-booting stage is very important for understanding the effects of BRs on vegetative and reproductive growth. In this study, the proteomes of leaves from an allelic mutant of the DWARF 61 (D61, OsBRI1) gene, Fn189 (dwarf54, d54) and its wild-type variety T65 (Taichung 65) at jointing-booting stage were analysed by using a Q Exactive plus orbitrap mass spectrometer, and more than 3,100 proteins were identified in each sample. Ontology analysis showed that these proteins distribute in various space of the cells, such as the chloroplast, mitochondrion, and nucleus, they functioned as structural components and/or catalytic enzymes and involved in many physiological processes. Moreover, quantitative analysis displayed that 266 proteins were differentially expressed in two samples, among them, 77 proteins decreased and 189 increased more than two times in Fn189 compared with T65, the proteins whose content decreased in Fn189 including b5-like Heme/Steroid binding domain containing protein, putative retrotransposon protein, putative glutaminyl-tRNA synthetase, and higher content proteins such as mTERF, putative Oligopeptidase homologue, zinc knuckle protein, and so on. A former study founded that the transcription level of a mTERF was up-regulated in the leaves of maize seedling after EBR treatment. In our experiments, it was interesting that one mTERF protein increased, but another mTERF decreased in leaves of Fn189 at jointing-booting stage, which suggested that BRs may have differential regulation mechanisms on the expression of various mTERF proteins. The relationship between other differential proteins with BRs is still unclear, and the effects of BRs on rice protein contents and its regulation mechanisms still need further research.

Keywords: bri1 mutant, jointing-booting stage, proteomic analysis, rice

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1544 Heteromolecular Structure Formation in Aqueous Solutions of Ethanol, Tetrahydrofuran and Dimethylformamide

Authors: Sh. Gofurov, O. Ismailova, U. Makhmanov, A. Kokhkharov

Abstract:

The refractometric method has been used to determine optical properties of concentration features of aqueous solutions of ethanol, tetrahydrofuran and dimethylformamide at the room temperature. Changes in dielectric permittivity of aqueous solutions of ethanol, tetrahydrofuran and dimethylformamide in a wide range of concentrations (0÷1.0 molar fraction) have been studied using molecular dynamics method. The curves depending on the concentration of experimental data on excess refractive indices and excess dielectric permittivity were compared. It has been shown that stable heteromolecular complexes in binary solutions are formed in the concentration range of 0.3÷0.4 mole fractions. The real and complex part of dielectric permittivity was obtained from dipole-dipole autocorrelation functions of molecules. At the concentrations of C = 0.3 / 0.4 m.f. the heteromolecular structures with hydrogen bonds are formed. This is confirmed by the extremum values of excessive dielectric permittivity and excessive refractive index of aqueous solutions.

Keywords: refractometric method, aqueous solution, molecular dynamics, dielectric constant

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1543 Development of an Electrochemical Aptasensor for the Detection of Human Osteopontin Protein

Authors: Sofia G. Meirinho, Luis G. Dias, António M. Peres, Lígia R. Rodrigues

Abstract:

The emerging development of electrochemical aptasen sors has enabled the easy and fast detection of protein biomarkers in standard and real samples. Biomarkers are produced by body organs or tumours and provide a measure of antigens on cell surfaces. When detected in high amounts in blood, they can be suggestive of tumour activity. These biomarkers are more often used to evaluate treatment effects or to assess the potential for metastatic disease in patients with established disease. Osteopontin (OPN) is a protein found in all body fluids and constitutes a possible biomarker because its overexpression has been related with breast cancer evolution and metastasis. Currently, biomarkers are commonly used for the development of diagnostic methods, allowing the detection of the disease in its initial stages. A previously described RNA aptamer was used in the current work to develop a simple and sensitive electrochemical aptasensor with high affinity for human OPN. The RNA aptamer was biotinylated and immobilized on a gold electrode by avidin-biotin interaction. The electrochemical signal generated from the aptamer–target molecule interaction was monitored electrochemically using cyclic voltammetry in the presence of [Fe (CN) 6]−3/− as a redox probe. The signal observed showed a current decrease due to the binding of OPN. The preliminary results showed that this aptasensor enables the detection of OPN in standard solutions, showing good selectivity towards the target in the presence of others interfering proteins such as bovine OPN and bovine serum albumin. The results gathered in the current work suggest that the proposed electrochemical aptasensor is a simple and sensitive detection tool for human OPN and so, may have future applications in cancer disease monitoring.

Keywords: osteopontin, aptamer, aptasensor, screen-printed electrode, cyclic voltammetry

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1542 Characterization of the GntR Family Transcriptional Regulator Rv0792c: A Potential Drug Target for Mycobacterium tuberculosis

Authors: Thanusha D. Abeywickrama, Inoka C. Perera, Genji Kurisu

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Tuberculosis, considered being as the ninth leading cause of death worldwide, cause from a single infectious agent M. tuberculosis and the drug resistance nature of this bacterium is a continuing threat to the world. Therefore TB preventing treatment is expanding, where this study designed to analyze the regulatory mechanism of GntR transcriptional regulator gene Rv0792c, which lie between several genes codes for some hypothetical proteins, a monooxygenase and an oxidoreductase. The gene encoding Rv0792c was cloned into pET28a and expressed protein was purified to near homogeneity by Nickel affinity chromatography. It was previously reported that the protein binds within the intergenic region (BS region) between Rv0792c gene and monooxygenase (Rv0793). This resulted in binding of three protein molecules with the BS region suggesting tight control of monooxygenase as well as its own gene. Since monooxygenase plays a key role in metabolism, this gene may have a global regulatory role. The natural ligand for this regulator is still under investigation. In relation to the Rv0792 protein structure, a Circular Dichroism (CD) spectrum was carried out to determine its secondary structure elements. Percentage-wise, 17.4% Helix, 21.8% Antiparallel, 5.1% Parallel, 12.3% turn and 43.5% other were revealed from CD spectrum data under room temperature. Differential Scanning Calorimetry (DSC) was conducted to assess the thermal stability of Rv0792, which the melting temperature of protein is 57.2 ± 0.6 °C. The graph of heat capacity (Cp) versus temperature for the best fit was obtained for non-two-state model, which concludes the folding of Rv0792 protein occurs through stable intermediates. Peak area (∆HCal ) and Peak shape (∆HVant ) was calculated from the graph and ∆HCal / ∆HVant was close to 0.5, suggesting dimeric nature of the protein.

Keywords: CD spectrum, DSC analysis, GntR transcriptional regulator, protein structure

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1541 Investigation of Dynamic Heat Transfer in Masonry Walls

Authors: Joelle Al Fakhoury, Emilio Sassine, Yassine Cherif, Joseph Dgheim, Emmanuel Antczak

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Hollow block masonry is the most used building technology in the Lebanese context. These blocks are manufactured in an artisanal way and have unknown thermal properties; their overall thermos-physical performance is thus unknown and also poorly investigated scientifically in both single wall and also double wall configurations. In this work, experimental measurements and numerical simulations are performed for a better understanding of the heat transfer in masonry walls. This study was realized using an experimental setup consisting of a masonry hollow block wall (0.1m x 1m x 1m) and two heat boxes, such that each covers one side of the wall. The first is a reference box having a constant interior temperature, and the other is a control box having an adjustable interior temperature. At first, the numerical model is validated using an experimental setup; then 3D numerical analyzes are held in order to investigate the effect of the air gap, the mortar joints, and the plastering on the thermal performance of masonry walls for a better understanding of the heat transfer process and the recommendation of suitable thermal improvements.

Keywords: masonry wall, hollow blocks, heat transfer, wall instrumentation, thermal improvement

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1540 Financial Statement Fraud: The Need for a Paradigm Shift to Forensic Accounting

Authors: Ifedapo Francis Awolowo

Abstract:

The unrelenting series of embarrassing audit failures should stimulate a paradigm shift in accounting. And in this age of information revolution, there is need for a constant improvement on the products or services one offers to the market in order to be relevant. This study explores the perceptions of external auditors, forensic accountants and accounting academics on whether a paradigm shift to forensic accounting can reduce financial statement frauds. Through Neo-empiricism/inductive analytical approach, findings reveal that a paradigm shift to forensic accounting might be the right step in the right direction in order to increase the chances of fraud prevention and detection in the financial statement. This research has implication on accounting education on the need to incorporate forensic accounting into present day accounting curriculum. Accounting professional bodies, accounting standard setters and accounting firms all have roles to play in incorporating forensic accounting education into accounting curriculum. Particularly, there is need to alter the ISA 240 to make the prevention and detection of frauds the responsibilities of bot those charged with the management and governance of companies and statutory auditors.

Keywords: financial statement fraud, forensic accounting, fraud prevention and detection, auditing, audit expectation gap, corporate governance

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1539 Preparation, Characterisation, and Measurement of the in vitro Cytotoxicity of Mesoporous Silica Nanoparticles Loaded with Cytotoxic Pt(II) Oxadiazoline Complexes

Authors: G. Wagner, R. Herrmann

Abstract:

Cytotoxic platinum compounds play a major role in the chemotherapy of a large number of human cancers. However, due to the severe side effects for the patient and other problems associated with their use, there is a need for the development of more efficient drugs and new methods for their selective delivery to the tumours. One way to achieve the latter could be in the use of nanoparticular substrates that can adsorb or chemically bind the drug. In the cell, the drug is supposed to be slowly released, either by physical desorption or by dissolution of the particle framework. Ideally, the cytotoxic properties of the platinum drug unfold only then, in the cancer cell and over a longer period of time due to the gradual release. In this paper, we report on our first steps in this direction. The binding properties of a series of cytotoxic Pt(II) oxadiazoline compounds to mesoporous silica particles has been studied by NMR and UV/vis spectroscopy. High loadings were achieved when the Pt(II) compound was relatively polar, and has been dissolved in a relatively nonpolar solvent before the silica was added. Typically, 6-10 hours were required for complete equilibration, suggesting the adsorption did not only occur to the outer surface but also to the interior of the pores. The untreated and Pt(II) loaded particles were characterised by C, H, N combustion analysis, BET/BJH nitrogen sorption, electron microscopy (REM and TEM) and EDX. With the latter methods we were able to demonstrate the homogenous distribution of the Pt(II) compound on and in the silica particles, and no Pt(II) bulk precipitate had formed. The in vitro cytotoxicity in a human cancer cell line (HeLa) has been determined for one of the new platinum compounds adsorbed to mesoporous silica particles of different size, and compared with the corresponding compound in solution. The IC50 data are similar in all cases, suggesting that the release of the Pt(II) compound was relatively fast and possibly occurred before the particles reached the cells. Overall, the platinum drug is chemically stable on silica and retained its activity upon prolonged storage.

Keywords: cytotoxicity, mesoporous silica, nanoparticles, platinum compounds

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1538 Beyond Classic Program Evaluation and Review Technique: A Generalized Model for Subjective Distributions with Flexible Variance

Authors: Byung Cheol Kim

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The Program Evaluation and Review Technique (PERT) is widely used for project management, but it struggles with subjective distributions, particularly due to its assumptions of constant variance and light tails. To overcome these limitations, we propose the Generalized PERT (G-PERT) model, which enhances PERT by incorporating variability in three-point subjective estimates. Our methodology extends the original PERT model to cover the full range of unimodal beta distributions, enabling the model to handle thick-tailed distributions and offering formulas for computing mean and variance. This maintains the simplicity of PERT while providing a more accurate depiction of uncertainty. Our empirical analysis demonstrates that the G-PERT model significantly improves performance, particularly when dealing with heavy-tail subjective distributions. In comparative assessments with alternative models such as triangular and lognormal distributions, G-PERT shows superior accuracy and flexibility. These results suggest that G-PERT offers a more robust solution for project estimation while still retaining the user-friendliness of the classic PERT approach.

Keywords: PERT, subjective distribution, project management, flexible variance

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1537 Beta-Carotene Attenuates Cognitive and Hepatic Impairment in Thioacetamide-Induced Rat Model of Hepatic Encephalopathy via Mitigation of MAPK/NF-κB Signaling Pathway

Authors: Marawan Abd Elbaset Mohamed, Hanan A. Ogaly, Rehab F. Abdel-Rahman, Ahmed-Farid O.A., Marwa S. Khattab, Reham M. Abd-Elsalam

Abstract:

Liver fibrosis is a severe worldwide health concern due to various chronic liver disorders. Hepatic encephalopathy (HE) is one of its most common complications affecting liver and brain cognitive function. Beta-Carotene (B-Car) is an organic, strongly colored red-orange pigment abundant in fungi, plants, and fruits. The study attempted to know B-Car neuroprotective potential against thioacetamide (TAA)-induced neurotoxicity and cognitive decline in HE in rats. Hepatic encephalopathy was induced by TAA (100 mg/kg, i.p.) three times per week for two weeks. B-Car was given orally (10 or 20 mg/kg) daily for two weeks after TAA injections. Organ body weight ratio, Serum transaminase activities, liver’s antioxidant parameters, ammonia, and liver histopathology were assessed. Also, the brain’s mitogen-activated protein kinase (MAPK), nuclear factor kappa B (NF-κB), antioxidant parameters, adenosine triphosphate (ATP), adenosine monophosphate (AMP), norepinephrine (NE), dopamine (DA), serotonin (5-HT), 5-hydroxyindoleacetic acid (5-HIAA) cAMP response element-binding protein (CREB) expression and B-cell lymphoma 2 (Bcl-2) expression were measured. The brain’s cognitive functions (Spontaneous locomotor activity, Rotarod performance test, Object recognition test) were assessed. B-Car prevented alteration of the brain’s cognitive function in a dose-dependent manner. The histopathological outcomes supported these biochemical evidences. Based on these results, it could be established that B-Car could be assigned to treat the brain’s neurotoxicity consequences of HE via downregualtion of MAPK/NF-κB signaling pathways.

Keywords: beta-carotene, liver injury, MAPK, NF-κB, rat, thioacetamide

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1536 Electronic and Optical Properties of Orthorhombic NdMnO3 with the Modified Becke-Johnson Potential

Authors: B. Bouadjemi, S. Bentata, T. Lantri, A. Abbad, W. Benstaali, A. Zitouni, S. Cherid

Abstract:

We investigate the electronic structure, magnetic and optical properties of the orthorhombic NdMnO3 through density-functional-theory (DFT) calculations using both generalized gradient approximation GGA and GGA+U approaches, the exchange and correlation effects are taken into account by an orbital independent modified Becke Johnson (MBJ). The predicted band gaps using the MBJ exchange approximation show a significant improvement over previous theoretical work with the common GGA and GGA+U very closer to the experimental results. Band gap dependent optical parameters like dielectric constant, index of refraction, absorption coefficient, reflectivity and conductivity are calculated and analyzed. We find that when using MBJ we have obtained better results for band gap of NdMnO3 than in the case of GGA and GGA+U. The values of band gap founded in this work by MBJ are in a very good agreement with corresponding experimental values compared to other calculations. This comprehensive theoretical study of the optoelectronic properties predicts that this material can be effectively used in optical devices.

Keywords: DFT, optical properties, absorption coefficient, strong correlation, MBJ, orthorhombic NdMnO3, optoelectronic

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1535 Design of Impedance Box to Study Fluid Parameters

Authors: K. AlJimaz, A. Abdullah, A. Abdulsalam, K. Ebdah, A. Abdalrasheed

Abstract:

Understanding flow distribution and head losses is essential to design and calculate Thermo fluid parameters in order to reduce the pressure to a certain required pressure. This paper discusses the ways acquired in design and simulation to create and design an impedance box that reduces pressure. It's controlled by specific scientific principles such as Bernoulli’s principle and conservation of mass. In this paper, the design is made using SOLIDWORKS, and the simulation is done using ANSYS software to solve differential equations and study the parameters in the 3D model, also to understand how the design of this box reduced the pressure. The design was made so that fluid enters at a certain pressure of 3000 Pa in a single inlet; then, it exits from six outlets at a pressure of 300 Pa with respect to the conservation of mass principle. The effect of the distribution of flow and the head losses has been noticed that it has an impact on reducing the pressure since other factors, such as friction, were neglected and also the temperature, which was constant. The design showed that the increase in length and diameter of the pipe helped to reduce the pressure, and the head losses contributed significantly to reduce the pressure to 10% of the original pressure (from 3000 Pa to 300 Pa) at the outlets.

Keywords: box, pressure, thermodynamics, 3D

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1534 Dual-Band Microwave Metamaterial Absorber Using Modified Circular Ring Resonator for Sensor Applications

Authors: Ramesh Amugothu, Vakula Damera, Narasimha Sarma N. V. S.

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This study presents a dual-band metamaterial microwave absorber that functions at frequencies of 3.5 GHz and 5.7 GHz. The design comprises modified ring and rectangular patch resonators fabricated on an FR4 dielectric substrate with a ground layer beneath it, emphasizing simplicity. Each absorption frequency is independent and can be individually adjusted by altering the dimensions of the respective resonator structures. The unit cell of the absorber is simulated and optimized parametrically using high-frequency structure simulator (HFSS) software. The mechanism behind the absorption is examined through surface current analysis as well as the symmetric model method. The absorber demonstrates over 97% absorption at both resonant frequencies and is shown to be suitable for sensing applications related to dielectric constant measurement. With its straightforward design, wide-angle acceptance, and polarization-insensitive characteristics, the proposed absorber is likely to be beneficial for both absorption and sensing purposes.

Keywords: absorption, dielectric permittivity, metamaterials, metasurfaces, resonant structures, sensor devices

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1533 Correlation Analysis of Reactivity in the Oxidation of Para and Meta-Substituted Benzyl Alcohols by Benzimidazolium Dichromate in Non-Aqueous Media: A Kinetic and Mechanistic Aspects

Authors: Seema Kothari, Dinesh Panday

Abstract:

An observed correlation of the reaction rates with the changes in the nature of substituent present on one of the reactants often reveals the nature of transition state. Selective oxidation of organic compounds under non-aqueous media is an important transformation in synthetic organic chemistry. Inorganic chromates and dichromates being drastic oxidant and are generally insoluble in most organic solvents, a number of different chromium (VI) derivatives have been synthesized. Benzimidazolium dichromate (BIDC) is one of the recently reported Cr(VI) reagents which is neither hygroscopic nor light sensitive being, therefore, much stable. Not many reports on the kinetics of the oxidations by BIDC are seemed to be available in the literature. In the present investigation, the kinetics and mechanism of benzyl alcohol (BA) and a number of para- and meta-substituted benzyl alcohols by benzimidazolium dichromate (BIDC), in dimethyl sulphoxide, is reported. The reactions were followed spectrophotometrically at 364 nm by monitoring the decrease in [BIDC] for up to 85-90% reaction, the temperature being constant. The observed oxidation product is the corresponding benzaldehyde. The reactions were of first order with respect to each the alcohol and BIDC. The reactions are catalyzed by proton, and the dependence is of the form: kobs = a + b[H+]. The reactions thus follow both, an acid-dependent and acid-independent paths. The oxidation of [1,1 2H2]benzyl alcohol exhibited the presence of a substantial kinetic isotope effect ( kH/kD = 6.20 at 298 K ). This indicated the cleavage of a α-C-H bond in the rate-determining step. An analysis of the temperature dependence of the deuterium isotope effect showed that the loss of hydrogen proceeds through a concerted cyclic process. The rate of oxidation of BA was determined in 19 organic solvents. An analysis of the solvent effect by Swain’s equation indicated that though both the anion and cation-solvating powers of the solvent contribute to the observed solvent effect, the role of cation-solvation is major. The rates of the para and meta compounds, at 298 K, failed to exhibit a significant correlation in terms of Hammett or Brown's substituent constants. The rates were then subjected to analyses in terms of dual substituent parameter (DSP) equations. The rates of oxidation of the para-substituted benzyl alcohols show an excellent correlation with Taft's σI and σRBA values. However, the rates for the meta-substituted benzyl alcohols show an excellent correlation with σI and σR0. The polar reaction constants are negative indicating an electron-deficient transition state. Hence the overall mechanism is proposed to involve the formation of a chromate ester in a fast pre-equilibrium and then a decomposition of the ester in a subsequent slow step via a cyclic concerted symmetrical transition state, involving hydride-ion transfer, leading to the product. The first order dependence on alcohol may be accounted in terms of the small value of the formation constant of the ester intermediate. An another reaction mechanism accounting the acid-catalysis involve the formation of a protonated BIDC prior to formation of an ester intermediate which subsequently decomposes in a slow step leading to the product.

Keywords: benzimidazolium dichromate, benzyl alcohols, correlation analysis, kinetics, oxidation

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1532 STD-NMR Based Protein Engineering of the Unique Arylpropionate-Racemase AMDase G74C

Authors: Sarah Gaßmeyer, Nadine Hülsemann, Raphael Stoll, Kenji Miyamoto, Robert Kourist

Abstract:

Enzymatic racemization allows the smooth interconversion of stereocenters under very mild reaction conditions. Racemases find frequent applications in deracemization and dynamic kinetic resolutions. Arylmalonate decarboxylase (AMDase) from Bordetella Bronchiseptica has high structural similarity to amino acid racemases. These cofactor-free racemases are able to break chemically strong CH-bonds under mild conditions. The racemase-like catalytic machinery of mutant G74C conveys it a unique activity in the racemisation of pharmacologically relevant derivates of 2-phenylpropionic acid (profenes), which makes AMDase G74C an interesting object for the mechanistic investigation of cofactor-independent racemases. Structure-guided protein engineering achieved a variant of this unique racemase with 40-fold increased activity in the racemisation of several arylaliphatic carboxylic acids. By saturation–transfer–difference NMR spectroscopy (STD-NMR), substrate binding during catalysis was investigated. All atoms of the substrate showed interactions with the enzyme. STD-NMR measurements revealed distinct nuclear Overhauser effects in experiments with and without molecular conversion. The spectroscopic analysis led to the identification of several amino acid residues whose variation increased the activity of G74C. While single-amino acid exchanges increased the activity moderately, structure-guided saturation mutagenesis yielded a quadruple mutant with a 40 times higher reaction rate. This study presents STD-NMR as versatile tool for the analysis of enzyme-substrate interactions in catalytically competent systems and for the guidance of protein engineering.

Keywords: racemase, rational protein design, STD-NMR, structure guided saturation mutagenesis

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1531 Modified Step Size Patch Array Antenna for UWB Wireless Applications

Authors: Hamid Aslani, Ahmed Radwan

Abstract:

In this paper, a single element microstrip antenna is presented for UWB applications by using techniques as partial ground plane and modified the shape of the patch. The antenna is properly designed to have a compact size and constant gain against frequency. The simulated results have done using two EM software and show good agreement with the measured results for the fabricated antenna. Then a designing of two elements patch antenna array for UWB in the frequency band of 3.1-10 GHz is presented in this paper. The array is constructed by means of feeding two omni-directional modified circular patch elements with a modified power divider. Experimental results show that the array has a stable radiation pattern and low return loss over a broad bandwidth of 64% (3.1–10 GHz). Due to its planar profile, physically compact size, wide impedance bandwidth, directive performance over a wide bandwidth proposed antenna is a good candidate for portable UWB applications and other UWB integrated circuits.

Keywords: ultra wide band, radiation performance, microstrip antenna, size miniaturized antenna

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1530 Corrosion Fatigue of Al-Mg Alloy 5052 in Sodium Chloride Solution Contains Some Inhibitors

Authors: Khalid Ahmed Eldwaib

Abstract:

In this study, Al-Mg alloy 5052 was used as the testing material. Corrosion fatigue life was studied for the alloy in 3.5% NaCl (pH=1, 3, 5, 7, 9, and 11), and 3.5% NaCl (pH=1) with inhibitors. The compound inhibitors were composed mainly of phosphate (PO4³-), adding a certain proportion of other nontoxic inhibitors so as to select alternatives to environmentally hazardous chromate (Cr2O7²-). The inhibitors were sodium dichromate Na2Cr2O7, sodium phosphate Na3PO4, sodium molybdate Na2MoO4, and sodium citrate Na3C6H5O7. The total amount of inhibiting pigments was at different concentrations (250,500,750, and 1000 ppm) in the solutions. Corrosion fatigue behavior was studied by using plane-bending corrosion fatigue machine with stress ratio R=0.5 and under the constant frequency of 13.3 Hz. Results show that in 3.5% NaCl the highest fatigue life (number of cycles to failure Nf) is obtained at pH=5 where the oxide film on aluminum has very low solubility, and the lowest number of cycles is obtained at pH=1, where the media is too aggressive (extremely acidic). When the concentration of inhibitor increases the cycles to failure increase. The surface morphology and fracture section of the specimens had been characterized through scanning electron microscope (SEM).

Keywords: Al-Mg alloy 5052, corrosion, fatigue, inhibitors

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1529 Glyco-Conjugated Gold Nanorods Based Biosensor for Optical Detection and Photothermal Ablation of Food Borne Bacteria

Authors: Shimayali Kaushal, Nitesh Priyadarshi, Nitin Kumar Singhal

Abstract:

Food borne bacterial species have been identified as major pathogens in most of the severe pathogen-related diseases among humans which result in great loss to human health and food industry. Conventional methods like plating and enzyme-linked immune sorbent assay (ELISA) are time-consuming, laborious and require specialized instruments. Nanotechnology has emerged as a great field in case of rapid detection of pathogens in recent years. The AuNRs material has good electro-optical properties due to its larger light absorption band and scattering in surface plasmon resonance wavelength regions. By exploiting the sugar-based adhesion properties of microorganism, we can use the glycoconjugates capped gold nanorods as a potential nanobiosensor to detect the foodborne pathogen. In the present study, polyethylene glycol (PEG) coated gold nanorods (AuNRs) were prepared and functionalized with different types of carbohydrates and further characterized by UV-Visible spectrophotometry, dynamic light scattering (DLS), transmission electron microscopy (TEM). The reactivity of above said nano-biosensor was probed by lectin binding assay and also by different strains of foodborne bacteria by using spectrophotometric and microscopic techniques. Due to the specific interaction of probe with foodborne bacteria (Escherichia coli, Pseudomonas aeruginosa), our nanoprobe has shown significant and selective ablation of targeted bacteria. Our findings suggest that our nanoprobe can be an ideal candidate for selective optical detection of food pathogens and can reduce loss to the food industry.

Keywords: glyco-conjugates, gold nanorods, nanobiosensor, nanoprobe

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1528 Urban Runoff Modeling of Ungauged Volcanic Catchment in Madinah, Western Saudi Arabia

Authors: Fahad Alahmadi, Norhan Abd Rahman, Mohammad Abdulrazzak, Zulikifli Yusop

Abstract:

Runoff prediction of ungauged catchment is still a challenging task especially in arid regions with a unique land cover such as volcanic basalt rocks where geological weathering and fractures are highly significant. In this study, Bathan catchment in Madinah western Saudi Arabia was selected for analysis. The aim of this paper is to evaluate different rainfall loss methods; soil conservation Services curve number (SCS-CN), green-ampt and initial-constant rate. Different direct runoff methods were evaluated: soil conservation services dimensionless unit hydrograph (SCS-UH), Snyder unit hydrograph and Clark unit hydrograph. The study showed the superiority of SCS-CN loss method and Clark unit hydrograph method for ungauged catchment where there is no observed runoff data.

Keywords: urban runoff modelling, arid regions, ungauged catchments, volcanic rocks, Madinah, Saudi Arabia

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1527 Design of Uniform Spray Nozzle and Simulation of Carrier Gas Flow Rate Distribution for FTO Thin Film Fabrication Process

Authors: HyeSuk Ri, HyonChol Kim, NamChol Yu

Abstract:

The FTO thin films were deposited on 15 cm × 15 cm glass substrates by ultrasonic spray pyrolysis, and the influence of process parameters on the film properties was investigated. This paper is the first report on the design of a uniform nozzle and simulating the carrier gas flow characteristics in an ultrasonic spray pyrolysis process. The uniformity of FTO films was evaluated by surface resistivity. The structure, surface morphology and optical properties of FTO films were investigated using scanning electron microscopy, X-ray diffraction, and UV-Vis spectroscopy. The process conditions for film preparation were SnCl₄ concentration of 1.34 mol, NH₄F concentration of 0.08 mol, temperature of 500 °C, deposition time of 15 min, carrier gas flow rate of 3 m/s, distance between nozzle and substrate of 0.7 cm. The transmittance of the fabricated FTO films was 80%, the surface resistance showed a uniform behavior at 14-15Ω/cm² and the X-ray analysis showed a high orientation of SnO₂ crystals in the 200-plane. SEM analysis showed that the crystallite size was constant.

Keywords: nozzle design, FTO film, simulation, ultrasonic spray pyrolysis

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1526 The Effects of the Uniaxial Anisotropy and the Loss Tangent on the Resonant Frequencies in Stacked Rectangular Patches Configuration

Authors: Boualem Mekimah, Abderraouf Messai, Abdelkrim Belhedri

Abstract:

Dielectric substrates have an important attention in the fabrication of microstrip patch antennas. The effects of the uniaxial anisotropy and the loss tangent on resonant frequencies of microstrip patches consist of two perfectly conducting rectangular patches in stacked and offset configuration, embedded in a bilayer medium containing isotropic or uniaxial anisotropic materials. The Green’s functions are discussed in detail and numerical results are validated by comparing the computed results with previously published data. The numerical results show, that the uniaxial anisotropy has more effects on resonant frequencies according to the optical axis. However, the loss tangent of dielectric substrates has almost no effect on resonant frequencies, but it strongly affects the imaginary parts of the resonant frequencies of the antenna. The dielectric constant has no effect on the separation in terms of frequencies.

Keywords: resonant frequencies, loss tangent, microstrip patches, stacked, anisotropic materials, optical axis

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1525 Study of Atmospheric Cascades Generated by Primary Comic Rays, from Simulations in Corsika for the City of Tunja in Colombia

Authors: Tathiana Yesenia Coy Mondragón, Jossitt William Vargas Cruz, Cristian Leonardo Gutiérrez Gómez

Abstract:

The study of cosmic rays is based on two fundamental pillars: the detection of secondary cosmic rays on the Earth's surface and the detection of the source and origin of the cascade. In addition, the constant flow of RC generates a lot of interest for study due to the incidence of various natural phenomena, which makes it relevant to characterize their incidence parameters to determine their effect not only at subsoil or terrestrial surface levels but also throughout the atmosphere. To determine the physical parameters of the primary cosmic ray, the implementation of robust algorithms capable of reconstructing the cascade from the measured values is required, with a high level of reliability. Therefore, it is proposed to build a machine learning system that will be fed from the cosmic ray simulations in CORSIKA at different energies that lie in a range [10⁹-10¹²] eV. in order to generate a trained particle and pattern recognition system to obtain greater efficiency when inferring the nature of the origin of the cascade for EAS in the atmosphere considering atmospheric models.

Keywords: CORSIKA, cosmic rays, eas, Colombia

Procedia PDF Downloads 82