Search results for: thermodynamic inhibitor

Authors: Abdelrahman Elsehsah, Hany Madkour, Khalid Farah

Abstract:

This article presents a 3-D modified non-linear elastic model in the strain space. The Helmholtz free energy function is introduced with the existence of a dissipation potential surface in the space of thermodynamic conjugate forces. The constitutive equation and the damage evolution were derived as well. The modified damage has been examined to model the nonlinear behavior of reinforced concrete (RC) slabs with an opening. A parametric study with RC was carried out to investigate the impact of different factors on the behavior of RC slabs. These factors are the opening area, the opening shape, the place of opening, and the thickness of the slabs. And the numerical results have been compared with the experimental data from literature. Finally, the model showed its ability to be applied to the structural analysis of RC slabs.

Keywords: 3-D numerical analysis, damage mechanics, RC slab with opening.

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Authors: Jung-Ho Moon, Tae Kwon Ha

Abstract:

High temperature deformation behavior of cast Fe-20Cr-5Al alloy has been investigated in this study by performing tensile and compression tests at temperatures from 1100 to 1200oC. Rectangular ingots of which the dimensions were 300×300×100 in millimeter were cast using vacuum induction melting. Phase equilibrium was calculated using the FactSage®, thermodynamic software and database. Tensile strength of cast Fe-20Cr-5Al alloy was 4 MPa at 1200oC. With temperature decreased, tensile strength increased rapidly and reached up to 13 MPa at 1100oC. Elongation also increased from 18 to 80% with temperature decreased from 1200oC to 1100oC. Microstructure observation revealed that M23C6 carbide was precipitated along the grain boundary and within the matrix.

Keywords: Fe-20Cr-5Al alloy, high temperature deformation, aging treatment, microstructure, mechanical properties.

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Authors: M. Ayazi, R. Karami, B. Kamkari

Abstract:

Solid oxide fuel cells have been considered in the last years as one of the most promising technologies for very highefficiency electric energy generation from hydrogen or other hydrocarbons, both with simple fuel cell plants and with integrated gas turbine-fuel cell systems. In the present study, a detailed thermodynamic analysis has been carried out. Mass and exergy balances are performed not only for the whole plant but also for each component in order to evaluate the thermal efficiency of combined cycle. Moreover, different sources of irreversibilities within the SOFC stack have been discussed and a parametric study conducted to evaluate the effect of temperature as well as pressure on SOFC irreversibilities and its performance. In this investigation methane and hydrogen have been used for fueling the SOFC stack and combustion chamber.

Keywords: SOFC, Energy, Power turbine, Irreversibility.

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Authors: Amol Dahal, Shunsuke Hori, Haruki Nakazawa, Kazumitsu Onishi, Toshio Kawano, Masayuki Murai

Abstract:

Two indica varieties, IR36 and ‘Suweon 258’ (“S”) are middle-heading in southern Japan. 36U, also middle-heading, is an isogenic line of IR36 carrying Ur1 (Undulate rachis-1) gene. However, late-heading plants segregated in the F2 population from the F1 of S × 36U, and so did in the following generations. The concerning lateness gene is designated as Ex. From the F8 generation, isogenic-line pair of early-heading and late-heading lines, denoted by “E” (ex/ex) and “L” (Ex/Ex), were developed. Genetic analyses of heading time were conducted, using F1s and F2s among L, E, S and 36U. The following inferences were drawn from the experimental results: 1) L, and both of E and 36U harbor Ex and ex, respectively; 2) Besides Ex, S harbors an inhibitor gene to it, i.e. I-Ex which is a novel finding of the present study. 3) Ex is a dominant allele at the E1 locus.

Keywords: Basic vegetative phase, heading time, lateness gene, photoperiod-sensitive phase.

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Authors: A. V. Goncharova, T. A. Karpenyuk, Y. S. Tsurkan, R. U. Beisembaeva, A. M. Kalbaeva, T. D. Mukasheva, L. V. Ignatova

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Microorganisms isolated from water and soil of Kazakhstan to identify potential high-effective producers of the arachidonic acid, exhibiting a wide range of physiological activity and having practical applications were screened. Based on the results of two independent tests (the test on the sensitivity of the growth processes of microorganisms to acetylsalicylic acid - an irreversible inhibitor of PGH-synthase involved in the metabolism of arachidonic acid and its derivatives, the test for inhibition of peroxidase activity of membrane-bounding fraction of PGH - synthase by acetylsalicylic acid) were selected microbial cultures which are potential highproducer of arachidonic acid. They are characterized by a stable strong growth in the laboratory conditions. Identification of microorganism cultures based on morphological, physiological, biochemical and molecular genetic characteristics was performed.

Keywords: Arachidonic acid, aspirin-sensitive culture, bacteria, producers, screening.

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Authors: Seema Kapoor, Baljinder K. Gill, V. K. Rattan

Abstract:

Isobaric vapor-liquid equilibrium measurements are reported for the binary mixture of Methyl acetate and Isopropylbenzene at 97.3 kPa. The measurements have been performed using a vapor recirculating type (modified Othmer's) equilibrium still. The mixture shows positive deviation from ideality and does not form an azeotrope. The activity coefficients have been calculated taking into consideration the vapor phase nonideality. The data satisfy the thermodynamic consistency tests of Herington and Black. The activity coefficients have been satisfactorily correlated by means of the Margules, NRTL, and Black equations. A comparison of the values of activity coefficients obtained by experimental data with the UNIFAC model has been made.

Keywords: Binary mixture, Isopropylbenzene, Methyl acetate, Vapor-liquid equilibrium.

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Authors: Ladhari A., Omezzine F., Rinez A., Haouala R.

Abstract:

Phytotoxicity of Daphne gnidium L. was evaluated through the effect of incorporating leaves, stems and roots biomass into soil (at 12.5, 25, 50g/Kg) and irrigation by their aqueous extracts (50g/L), on the growth of two crops (Lactuca sativa L. and Raphanus sativus L.) and two weeds (Peaganum harmala L. and Scolymus maculatus L.). Results revealed a perceptible phytotoxic effect which increased with dose and concentration. At the highest dose, roots and leaves residues was the most toxic and caused total inhibition respectively, for lettuce and thistle seedling growth. Irrigation with aqueous extracts of D. gnidium different organs decreased also seedlings length of all test species. Stems extract was more inhibitor on thistle than peganum seedling growth; it induced a significant reduction of 80% and 67%, for, respectively, roots and shoots. Results of the present study suggest that different organs of D. gnidium could be exploited in the management of agro-ecosystems.

Keywords: Biomass, Daphne gnidium L., phytoxicity, seedlinggrowth

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Authors: Timo Roestenberg, Maxim Glushenkov, Alexander Kronberg, Anton A. Verbeek, Theo H. vd Meer

Abstract:

The Pulsed Compression Reactor promises to be a compact, economical and energy efficient alternative to conventional chemical reactors. In this article, the production of synthesis gas using the Pulsed Compression Reactor is investigated. This is done experimentally as well as with simulations. The experiments are done by means of a single shot reactor, which replicates a representative, single reciprocation of the Pulsed Compression Reactor with great control over the reactant composition, reactor temperature and pressure and temperature history. Simulations are done with a relatively simple method, which uses different models for the chemistry and thermodynamic properties of the species in the reactor. Simulation results show very good agreement with the experimental data, and give great insight into the reaction processes that occur within the cycle.

Keywords: Chemical reactors, Energy, Pulsed compressionreactor, Simulation

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Authors: S. Ghafoori, A. Al-Harbi, B. Al-Ajmi, A. Al-Shaalan, A. Al-Ajmi, M. Ali Juma

Abstract:

Seismic methods play an important role in the exploration for hydrocarbon reservoirs. However, the success of the method depends strongly on the reliability of the measured or predicted information regarding the velocity of sound in the media. Speed of sound has been used to study the thermodynamic properties of fluids. In this study, experimental data are reported and analyzed on the speed of sound in toluene and octane binary mixture. Three-factor three-level Box-Benhkam design is used to determine the significance of each factor, the synergetic effects of the factors, and the most significant factors on speed of sound. The developed mathematical model and statistical analysis provided a critical analysis of the simultaneous interactive effects of the independent variables indicating that the developed quadratic models were highly accurate and predictive.

Keywords: Experimental design, octane, speed of sound, toluene.

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Authors: Kyoung Hoon Kim, Giman Kim

Abstract:

The cycles of the steam-injection gas-turbine systems are studied. The analyses of the parametric effects and the optimal operating conditions for the steam-injection gas-turbine (STIG) system and the regenerative steam-injection gas-turbine (RSTIG) system are investigated to ensure the maximum performance. Using the analytic model, the performance parameters of the system such as thermal efficiency, fuel consumption and specific power, and also the optimal operating conditions are evaluated in terms of pressure ratio, steam injection ratio, ambient temperature and turbine inlet temperature (TIT). It is shown that the computational results are presented to have a notable enhancement of thermal efficiency and specific power.

Keywords: gas turbine, RSTIG, steam injection, STIG, thermal efficiency.

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Authors: N. Rezvani, A. Sorooshzadeh, N. Farhadi

Abstract:

Saffron (Crocus sativus) is cultivated as spices, medicinal and aromatic plant species. At autumn season, heavy rainfall can cause flooding stress and inhibits growth of saffron. Thus this research was conducted to study the effect of silver ion (as an ethylene inhibitor) on growth of saffron under flooding conditions. The corms of saffron were soaked with one concentration of nano silver (0, 40, 80 or 120 ppm) and then planting under flooding stress or non flooding stress conditions. Results showed that number of roots, root length, root fresh and dry weight, leaves fresh and dry weight were reduced by 10 day flooding stress. Soaking saffron corms with 40 or 80 ppm concentration of nano silver rewarded the effect of flooding stress on the root number, by increasing it. Furthermore, 40 ppm of nano silver increased root length in stress. Nano silver 80 ppm in flooding stress, increased leaves dry weight.

Keywords: Flooding stress, Nano-silver, Saffron.

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Authors: K. Bouhadef, S. Chikh, A. Boumedien, A. Benabdesselam

Abstract:

A solar refrigeration system based on the adsorptiondesorption phenomena is designed and analyzed. An annular tubular generator filled with silica gel adsorbent and with a perforated inner cylinder is integrated within a flat solar collector. The working fluid in the refrigeration cycle is water. The thermodynamic analysis and because of the temperature level that could be attained with a flat solar collector it is required that the system operates under vacuum conditions. In order to enhance the performance of the system and to get uniform temperature in the silica gel and higher desorbed mass, an apparatus for rotation of the generator is incorporated in the system. Testing is carried out and measurements are taken on the designed installation. The effect of rotation is checked on the temperature distribution and on the performance of this machine and compared to the flat solar collector with fixed generator.

Keywords: Refrigeration cycle, solar energy, rotating collector, adsorption, silica gel.

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Authors: Jirakarn Nantapipat, Apanee Luengnaruemitchai, Sujitra Wongkasemjit

Abstract:

Biofuels, like biobutanol, have been recognized for being renewable and sustainable fuels which can be produced from lignocellulosic biomass. To convert lignocellulosic biomass to biofuel, pretreatment process is an important step to remove hemicelluloses and lignin to improve enzymatic hydrolysis. Dilute acid pretreatment has been successful developed for pretreatment of corncobs and the optimum conditions of dilute sulfuric and phosphoric acid pretreatment were obtained at 120 °C for 5 min with 15:1 liquid to solid ratio and 140 °C for 10 min with 10:1 liquid to solid ratio, respectively. The result shows that both of acid pretreatments gave the content of total sugar approximately 34–35 g/l. In case of inhibitor content (furfural), phosphoric acid pretreatment gives higher than sulfuric acid pretreatment. Characterizations of corncobs after pretreatment indicate that both of acid pretreatments can improve enzymatic accessibility and the better results present in corncobs pretreated with sulfuric acid in term of surface area, crystallinity, and composition analysis.

Keywords: Corncobs, Pretreatment, Sulfuric acid, Phosphoric acid.

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Authors: Abir Hmida, Nihel Chekir, Ammar Ben Brahim

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In the present paper, we investigate the feasibility of a thermal solar driven cold room in Gabes, southern region of Tunisia. The cold room of 109 m³ is refrigerated using an ammonia absorption machine. It is destined to preserve dates during the hot months of the year. A detailed study of the cold room leads previously to the estimation of the cooling load of the proposed storage room in the operating conditions of the region. The next step consists of the estimation of the required heat in the generator of the absorption machine to ensure the desired cold temperature. A thermodynamic analysis was accomplished and complete description of the system is determined. We propose, here, to provide the needed heat thermally from the sun by using vacuum tube collectors. We found that at least 21m² of solar collectors are necessary to accomplish the work of the solar cold room.

Keywords: Absorption, ammonia, cold room, solar collector, vacuum tube.

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Authors: Seema Kapoor, Sushil K. Kansal, Baljinder K. Gill, Aarti Sharma, Swati Arora

Abstract:

Isobaric vapor-liquid equilibrium measurements are reported for the binary mixtures of Mesitylene + 1-Heptanol and Mesitylene + 1-Octanol at 97.3 kPa. The measurements have been performed using a vapor recirculating type (modified Othmer's) equilibrium still. Both the mixtures show positive deviation from ideality. The Mesitylene + 1-Heptanol mixture forms an azeotrope whereas Mesitylene + 1- Octanol form a non – azeotropic mixture. The activity coefficients have been calculated taking into consideration the vapor phase nonideality. The data satisfy the thermodynamic consistency tests of Herington, and Hirata. The activity coefficients have been satisfactorily correlated by means of the Margules, Redlich-Kister, Wilson, Black, and NRTL equations. The activity coefficient values have also been obtained by UNIFAC method.

Keywords: Binary mixture, Mesitylene, Vapor-liquid equilibrium, 1-Heptanol, 1-Octanol.

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Authors: Achouri Ryma, Hatem Dhaouadi, Hatem Mhiri, Philippe Bournot

Abstract:

Stirred tanks are widely used in all industrial sectors. The need for further studies of the mixing operation and its different aspects comes from the diversity of agitation tools and implemented geometries in addition to the specific characteristics of each application. Viscous fluids are often encountered in industry and they represent the majority of treated cases, as in the polymer sector, food processing, pharmaceuticals and cosmetics. That's why in this paper, we will present a three-dimensional numerical study using the software Fluent, to study the effect of varying the fluid viscosity in a stirred tank with a Rushton turbine. This viscosity variation was performed by adding carboxymethylcellulose (CMC) to the fluid (water) in the vessel. In this work, we studied first the flow generated in the tank with a Rushton turbine. Second, we studied the effect of the fluid viscosity variation on the thermodynamic quantities defining the flow. For this, three viscosities (0.9% CMC, 1.1% CMC and 1.7% CMC) were considered.

Keywords: CFD, CMC, Mixing, Viscosity, Rushton turbine.

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Authors: A. Spanou, P. Giannouli

Abstract:

The effects of coatings based on sodium alginate (S.A) and carboxyl methyl cellulose (CMC) on the color and moisture characteristics of potato round slices were investigated. It is the first time that this combination of polysaccharides is used as edible coating which alone had the best performance as inhibitor of potato color discoloration during the storage of 15 days at 4oC. When ascorbic acid (AA) and green tea (GT) were added in the above edible coating its effects on potato round slices changed. The mixtures of sodium alginate and carboxyl methyl cellulose with ascorbic acid or with green tea behave as a potential moisture barrier, resulting to the extent of potato samples self–life. These data suggests that both GT and AA are potential inhibitors of dehydration in potatoes and not only natural antioxidants.

Keywords: Ascorbic acid, edible coating, green tea, moisture barrier.

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Authors: D. Bhaskar, N. R. Wadehra, M. Gulati, A. Narula, R. Vishnu, G. Katyal

Abstract:

With drug resistance becoming widespread in Plasmodium falciparum infections, the development of the alternative drugs is the desired strategy for prevention and cure of malaria. Three drug targets were selected to screen promising drug molecules from the GSK library of 13469 molecules. Using an in silico structure-based drug designing approach, the differences in binding energies of the substrate and inhibitor were exploited between target sites of parasite and human to design a drug molecule against Plasmodium. The docking studies have shown several promising molecules from GSK library with more effective binding as compared to the already known inhibitors for the drug targets. Though stronger interaction has been shown by several molecules as compared to the reference, few molecules have shown the potential as drug candidates though in vitro studies are required to validate the results. In case of thymidylate synthase-dihydrofolatereductase (TS-DHFR), three compounds have shown promise for future studies as potential drugs.

Keywords: Drug resistance, Drug targets, In silico studies, Plasmodium falciparum.

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Authors: M. Sarai Atab, A. Smallbone, A. P. Roskilly

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A thermodynamic study is performed on the Reverse Osmosis (RO) desalination process for brackish water. The detailed RO model of thermodynamics properties with and without an energy recovery device was built in Simulink/MATLAB and validated against reported measurement data. The efficiency of desalination plants can be estimated by both the first and second laws of thermodynamics. While the first law focuses on the quantity of energy, the second law analysis (i.e. exergy analysis) introduces quality. This paper used the Main Outfall Drain in Iraq as a case study to conduct energy and exergy analysis of RO process. The result shows that it is feasible to use energy recovery method for reverse osmosis with salinity less than 15000 ppm as the exergy efficiency increases twice. Moreover, this analysis shows that the highest exergy destruction occurs in the rejected water and lowest occurs in the permeate flow rate accounting 37% for 4.3% respectively.

Keywords: Brackish water, exergy, irrigation, reverse osmosis.

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Authors: Diky Mudhakir, Satrialdi, Sukmadjaja Asyarie, Yeyet C. Sumirtapura

Abstract:

Today, cancer remains one of the major diseases that lead to death. The main obstacle in chemotherapy as a main cancer treatment is the toxicity to normal cells due to Multidrug Resistance (MDR) after the use of anticancer drugs. Proposed solution to overcome this problem is the use of MDR efflux inhibitor of cinchona alkaloids which is delivered together with anticancer drugs encapsulated in the form of polymeric nanoparticles. The particles were prepared by the hydration method. The characterization of nanoparticles was particle size, zeta potential, entrapment efficiency and in vitro drug release. Combination nanoparticle size ranged 29-45 nm with a neutral surface charge. Entrapment efficiency was above 87% for the use quinine, quinidine or cinchonidine in combination with etoposide. The release test results exhibited that the cinchona alkaloids release released faster than that of etoposide. Collectively, cinchona alkaloids can be packaged along with etoposide in nanomicelles for better cancer therapy.

Keywords: Cinchona alkaloids, etoposide, MDR efflux inhitor, polymeric nanomicelles.

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Authors: Ismail I. Fasfous, Nedal Abu Farha

Abstract:

The purpose of this research is to establish the experimental conditions for removal of Cibacron Brilliant Yellow 3G-P dye (CBY) from aqueous solutions by sorption onto coffee husks as a low-cost sorbent. The effects of various experimental parameters (e.g. initial CBY dye concentration, sorbent mass, pH, temperature) were examined and the optimal experimental conditions were determined. The results indicated that the removal of the dye was pH dependent and at initial pH of 2, the dye was removed effectively. The CBY dye sorption data were fitted to Langmuir, Freundlich, Temkin and Dubinin-Radushkevich equilibrium models. The maximum sorption capacity of CBY dye ions onto coffee husks increased from 24.04 to 35.04 mg g-1 when the temperature was increased from 293 to 313 K. The calculated sorption thermodynamic parameters including ΔG°, ΔH°, and ΔS° indicated that the CBY dye sorption onto coffee husks is a spontaneous, endothermic and mainly physical in nature.

Keywords: Coffee husks, equilibrium, reactive dyes, sorption.

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Authors: Rida B. Arieby, Hameed N. Hameed

Abstract:

In this work, tensile tests on high density polyethylene have been carried out under various constant strain rate and strain rate jump tests. The dependency of the true stress and specially the variation of volume strain have been investigated, the volume strain due to the phenomena of damage was determined in real time during the tests by an optical extensometer called Videotraction. A modified constitutive equations, including strain rate and damage effects, are proposed, such a model is based on a non-equilibrium thermodynamic approach called (DNLR). The ability of the model to predict the complex nonlinear response of this polymer is examined by comparing the model simulation with the available experimental data, which demonstrate that this model can represent the deformation behavior of the polymer reasonably well.

Keywords: Strain rate jump tests, Volume Strain, High Density Polyethylene, Large strain, Thermodynamics approach.

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Authors: R. Mahjoub, K. Maghsoudi Mehraban

Abstract:

Since the heart of the hybrid system is the fuel cell and it has vital impact on efficiency and performance of cycle, in this study, the major modeling of electrochemical reaction within the fuel cell is analyzed. Also, solid oxide fuel cell is integrated with the gas turbine and thermodynamic analysis on different elements of hybrid system is applied. Next, in predefined operational points of hybrid cycle, the simulation results are obtained. Then, different source of irreversibility in fuel cell is modeled and influence of different major parameters on different irreversibility is computed and applied. Then, the effect of important parameters such as thickness and surface of electrolyte fuel cell are simulated in fuel cell and its dependency to these parameters is explained. At the end of the paper, different impact of parameters on fuel cell with a gas turbine and current density and voltage of fuel cell are simulated.

Keywords: Electrochemical analysis, Gas turbine, Hybrid system, Irreversibility analysis.

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Authors: Baljinder K. Gill, V. K. Rattan, Seema Kapoor

Abstract:

Isobaric vapor-liquid equilibrium measurements are reported for the binary mixtures of n-Butylamine and Triethylamine with Cumene at 97.3 kPa. The measurements have been performed using a vapor recirculating type (modified Othmer's) equilibrium still. The binary mixture of n-Butylamine + Cumene shows positive deviation from ideality. Triethylamine + Cumene mixture shows negligible deviation from ideality. None of the systems form an azeotrope. The activity coefficients have been calculated taking into consideration the vapor phase nonideality. The data satisfy the thermodynamic consistency test of Herington. The activity coefficients have been satisfactorily correlated by means of the Margules, NRTL, and Black equations. The activity coefficient values obtained by the UNIFAC model are also reported.

Keywords: Binary mixture, cumene, n-butylamine, triethylamine, vapor-liquid equilibrium.

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Authors: W. P. Hu, J. V. Kumar, Jeffrey J. P. Tsai

Abstract:

The inhibition of SH2 domain regulated protein-protein interactions is an attractive target for developing an effective chemotherapeutic approach in the treatment of disease. Molecular simulation is a useful tool for developing new drugs and for studying molecular recognition. In this study, we searched potential drug compounds for the inhibition of SH2 domain by performing structural similarity search in PubChem Compound Database. A total of 37 compounds were screened from the database, and then we used the LibDock docking program to evaluate the inhibition effect. The best three compounds (AP22408, CID 71463546 and CID 9917321) were chosen for MD simulations after the LibDock docking. Our results show that the compound CID 9917321 can produce a more stable protein-ligand complex compared to other two currently known inhibitors of Src SH2 domain. The compound CID 9917321 may be useful for the inhibition of SH2 domain based on these computational results. Subsequently experiments are needed to verify the effect of compound CID 9917321 on the SH2 domain in the future studies.

Keywords: Nonpeptide inhibitor, Src SH2 domain, LibDock, molecular dynamics simulation.

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Authors: Gürol Önal, Kevser Dincer

Abstract:

In this experimental study, performance of a counter flow Ranque-Hilsch vortex tube (RHVT) with threads cut on its inner surface was investigated experimentally (pitch is 1 and 2 mm). The inner diameter of the vortex tube used was D=9 mm and the ratio of the tube’s length to diameter was L/D=12. The experimental system was a thermodynamic open system. Flow was controlled by a valve on the hot outlet side, where the valve was changed from a nearly closed position to its nearly open position. Fraction of cold flow (ξ) = 0.1-0.9, was determined under 300 and 350 kPa pressurized air. All experimental data were compared with each other, the maximum heating performance of the RHVT system was found to be 38.2 oC and the maximum cooling performance of the RHVT in this study was found to be -30.9 oC at pitch 1 mm.

Keywords: Ranque-Hilsch vortex tube, heating, cooling, temperature separation.

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Authors: Imane Khalil, Quinn Pratt

Abstract:

In a nuclear reactor, an array of fuel rods containing stacked uranium dioxide pellets clad with zircalloy is the heat source for a thermodynamic cycle of energy conversion from heat to electricity. After fuel is used in a nuclear reactor, the assemblies are stored underwater in a spent nuclear fuel pool at the nuclear power plant while heat generation and radioactive decay rates decrease before it is placed in packages for dry storage or transportation. A computational model of a Boiling Water Reactor spent fuel assembly is modeled using FLUENT, the computational fluid dynamics package. Heat transfer simulations were performed on the two-dimensional 9x9 spent fuel assembly to predict the maximum cladding temperature for different input to the FLUENT model. Uncertainty quantification is used to predict the heat transfer and the maximum temperature profile inside the assembly.

Keywords: Spent nuclear fuel, conduction, heat transfer, uncertainty quantification.

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Authors: T. Zergoug, S.H. Abaidia, A. Nedjar, M. Y. Mokeddem

Abstract:

Physical properties of uranium dinitride (UN2) were investigated in detail using first principle calculations based on density functional theory (DFT). To study the strong correlation effects due to 5f uranium valence electrons, the on-site coulomb interaction correction U via the Hubbard-like term (DFT+U) was employed. The UN2 structural, mechanical and thermodynamic properties were calculated within DFT and Various U of DFT+U approach. The Perdew–Burke–Ernzerhof (PBE.5.2) version of the generalized gradient approximation (GGA) is used to describe the exchange-correlation with the projector-augmented wave (PAW) pseudo potentials. A comparative study shows that results are improved by using the Hubbard formalism for a certain U value correction like the structural parameter. For some physical properties the variation versus Hubbard-U is strong like Young modulus but for others it is weakly noticeable such as bulk modulus. We noticed also that from U=7.5 eV, elastic results don’t agree with the cubic cell because of the C44 values which turn out to be negative.

Keywords: Ab initio, bulk modulus, DFT, DFT + U.

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Authors: B. K. Gill, Himani Sharma, V. K. Rattan

Abstract:

Experimental data of refractive index, excess molar volume and viscosity of binary mixture of morpholine with cumene over the whole composition range at 298.15 K, 303.15 K, 308.15 K and normal atmospheric pressure have been measured. The experimental data were used to compute the density, deviation in molar refraction, deviation in viscosity and excess Gibbs free energy of activation as a function of composition. The experimental viscosity data have been correlated with empirical equations like Grunberg- Nissan, Herric correlation and three body McAllister’s equation. The excess thermodynamic properties were fitted to Redlich-Kister polynomial equation. The variation of these properties with composition and temperature of the binary mixtures are discussed in terms of intermolecular interactions.

Keywords: Cumene, excess Gibbs free energy, excess molar volume, morpholine.

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Authors: Khaled Alawadhi, Abdulkareem Aloraier, Suraj Joshi, Jalal Alsarraf

Abstract:

The aim of this paper is to compare the effectiveness and electrochemical behavior of typical oilfield corrosion inhibitors with previous oilfield corrosion inhibitors under the same electrochemical techniques to control preferential weld corrosion of X65 pipeline steel in artificial seawater saturated with carbon dioxide at a pressure of one bar. A secondary aim is to investigate the conditions under which current reversal takes place. A flow channel apparatus was used in the laboratory to simulate the actual condition that occurs in marine pipelines. Different samples from the parent metal, the weld metal and the heat affected zone in the pipeline steel were galvanically coupled. The galvanic currents flowing between the weld regions were recorded using zero-resistance ammeters and tested under static and flowing conditions in both inhibited and uninhibited media. The results show that a current reversal took place when 30ppm of both green oilfield inhibitors were present, resulting in accelerated weld corrosion.

Keywords: Carbon dioxide, carbon steel, current reversal, inhibitor, weld corrosion.

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