Search results for: molecular docking simulations
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 3892

Search results for: molecular docking simulations

1522 Characterization of the Lytic Bacteriophage VbɸAB-1 against Drug Resistant Acinetobacter baumannii Isolated from Hospitalized Pressure Ulcers Patients

Authors: M. Doudi, M. H. Pazandeh, L. Rahimzadeh Torabi

Abstract:

Bedsores are pressure ulcers that occur on the skin or tissue due to being immobile and lying in bed for extended periods. Bedsores have the potential to progress into open ulcers, increasing the possibility of variety of bacterial infection. Acinetobacter baumannii, a pathogen of considerable clinical importance, exhibited a significant correlation with Bedsores (pressure ulcers) infections, thereby manifesting a wide spectrum of antibiotic resistance. The emergence of drug resistance has led researchers to focus on alternative methods, particularly phage therapy, for tackling bacterial infections. Phage therapy has emerged as a novel therapeutic approach to regulate the activity of these agents. The management of bacterial infections greatly benefits from the clinical utilization of bacteriophages as a valuable antimicrobial intervention. The primary objective of this investigation consisted of isolating and discerning potent bacteriophage capable of targeting multi drug-resistant (MDR) and extensively drug-resistant (XDR) bacteria obtained from pressure ulcers. In present study, analyzed and isolated A. baumannii strains obtained from a cohort of patients suffering from pressure ulcers at Taleghani Hospital in Ahvaz, Iran. An approach that included biochemical and molecular identification techniques was used to determine the taxonomic classification of bacterial isolates at the genus and species levels. The molecular identification process was facilitated by using the 16S rRNA gene in combination with universal primers 27 F, and 1492 R. Bacteriophage was obtained through the isolation process conducted on treatment plant sewage located in Isfahan, Iran. The main goal of this study was to evaluate different characteristics of phage, such as their appearance, range of hosts they can infect, how quickly they can enter a host, their stability at varying temperatures and pH levels, their effectiveness in killing bacteria, the growth pattern of a single phage stage, mapping of enzymatic digestion, and identification of proteomics patterns. The findings demonstrated that an examination was conducted on a sample of 50 specimens, wherein 15 instances of A. baumannii were identified. These microorganisms are the predominant Gram-negative agents known to cause wound infections in individuals suffering from bedsores. The study's findings indicated a high prevalence of antibiotic resistance in the strains isolated from pressure ulcers, excluding the clinical strains that exhibited responsiveness to colistin.According to the findings obtained from assessments of host range and morphological characteristics of bacteriophage VbɸAB-1, it can be concluded that this phage possesses specificity towards A. Baumannii BAH_Glau1001 was classified as a member of the Plasmaviridae family. The bacteriophage mentioned earlier showed the strongest antibacterial effect at a temperature of 18 °C and a pH of 6.5. Through the utilization of sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) analysis on protein fragments, it was established that the bacteriophage VbɸAB-1 exhibited a size range between 50 and 75 kilodaltons (KDa). The numerous research findings on the effectiveness of phages and the safety studies conducted suggest that the phages studied in this research can be considered as a practical solution and recommended approach for controlling and treating stubborn pathogens in burn wounds among hospitalized patients.

Keywords: acinetobacter baumannii, extremely drug- resistant, phage therapy, surgery wound

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1521 Production Increase of C-Central Wells Baher Essalm-Libya

Authors: Emed Krekshi, Walid Ben Husein

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The Bahr Essalam gas-condensate field is located off the Libyan coast and is currently being produced by Mellitah Oil and Gas (MOG). Gas and condensate are produced from the Bahr Essalam reservoir through a mixture of platform and subsea wells, with the subsea wells being gathered at the western manifolds and delivered to the Sabratha platform via a 22-inch pipeline. Gas is gathered and dehydrated on the Sabratha platform and then delivered to the Mellitah gas plant via an existing 36-inch gas export pipeline. The condensate separated on the Sabratha platform will be delivered to the Mellitah gas plant via an existing 10-inch export pipeline. The Bahr Essalam Phase II project includes 2 production wells (CC16 & CC17) at C-Central A connected to the Sabratha platform via a new 10.9 km long 10”/14” production pipeline. Production rates from CC16 and CC17 have exceeded the maximum planned rate of 40 MMSCFD per well. A hydrothermal analysis was conducted to review and Verify input data, focusing on the variation of flowing well head as a function of flowrate.as well as Review available input data against the previous design input data to determine the extent of change. The steady-state and transient simulations performed with Olga yielded coherent results and confirmed the possibility of achieving flow rates of up to 60MMSCFD per well without exceeding the design temperatures, pressures, and velocities.

Keywords: Bahr Essalam, Mellitah Oil and Gas, production flow rates, steady and transient

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1520 Localized Analysis of Cellulosic Fibrous Insulation Materials

Authors: Chady El Hachem, Pan Ye, Kamilia Abahri, Rachid Bennacer

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Considered as a building construction material, and regarding its environmental benefits, wood fiber insulation is the material of interest in this work. The definition of adequate elementary representative volume that guarantees reliable understanding of the hygrothermal macroscopic phenomena is very critical. At the microscopic scale, when subjected to hygric solicitations, fibers undergo local dimensionless variations. It is therefore necessary to master this behavior, which affects the global response of the material. This study consists of an experimental procedure using the non-destructive method, X-ray tomography, followed by morphological post-processing analysis using ImageJ software. A refine investigation took place in order to identify the representative elementary volume and the sufficient resolution for accurate structural analysis. The second part of this work was to evaluate the microscopic hygric behavior of the studied material. Many parameters were taken into consideration, like the evolution of the fiber diameters, distribution along the sorption cycle and the porosity, and the water content evolution. In addition, heat transfer simulations based on the energy equation resolution were achieved on the real structure. Further, the problematic of representative elementary volume was elaborated for such heterogeneous material. Moreover, the material’s porosity and its fibers’ thicknesses show very big correlation with the water content. These results provide the literature with very good understanding of wood fiber insulation’s behavior.

Keywords: hygric behavior, morphological characterization, wood fiber insulation material, x-ray tomography

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1519 Utility of the Loop-Mediated Isothermal Amplification Assay for the Diagnosis of Visceral Leishmaniasis from Blood Samples in Ethiopia

Authors: Dawit Gebreegzabher Hagos, Yazezew Kebede Kiro, Mahmud Abdulkader, Henk H. D. F. Schallig, Dawit Wolday

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Rapid and accurate visceral leishmaniasis (VL) diagnosis is needed to initiate prompt treatment to reduce morbidity and mortality. Here, we evaluated the performance of loop-mediated isothermal amplification (LAMP) assay for the diagnosis of VL from blood in an endemic area in Ethiopia. LAMP was positive in 117/122 confirmed VL cases and negative in 149/152 controls, resulting in a sensitivity of 95.9% (95% CI: 90.69–98.66) and a specificity of 98.0% (95% CI: 94.34–99.59), respectively. The sensitivity of the LAMP assay was 95.0% (95% CI: 88.61–98.34) in HIV-negatives and 100% (95% CI: 85.18–100.0) in HIV-positives. Compared with microscopy, LAMP detected 82/87 (94.3%, 95% CI: 87.10–98.11) of the microscopy1 cases and was negative in 11/27 (40.7%, 95% CI: 22.39–61.20) of the microscopy2 cases. Compared with the rK39 serology, LAMP detected 113/120 (94.2%, 95% CI: 88.35–97.62) of the rK391 cases and was negative in 149/154 (96.8%, 95% CI: 92.59–98.94) of the rK392 cases. However, when compared with microscopy only, rK39 detected 83/87 (95.4%, 95% CI: 88.64–98.73) of the microscopy1 cases and negative in only 12/27 (44.4%, 95% CI: 25.48–64.67) of the microscopy– cases. There was an excellent agreement between rK39 and LAMP (Kappa 5 0.91, 95% CI: 0.86–0.96). Furthermore, an algorithm using rK39 followed by LAMP would yield a sensitivity of 99.2% (95%CI: 95.52–99.89) and a specificity of 98.0% (95% CI: 94.34–99.59). The findings demonstrate that the LAMP assay is an accurate and rapid molecular assay for VL diagnosis, including in HIV-1 co-infected patients, in an endemic setting.

Keywords: visceral leishmaniasis, HIV, diagnosis, LAMP, Ethiopia

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1518 Contemplating Charge Transport by Modeling of DNA Nucleobases Based Nano Structures

Authors: Rajan Vohra, Ravinder Singh Sawhney, Kunwar Partap Singh

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Electrical charge transport through two basic strands thymine and adenine of DNA have been investigated and analyzed using the jellium model approach. The FFT-2D computations have been performed for semi-empirical Extended Huckel Theory using atomistic tool kit to contemplate the charge transport metrics like current and conductance. The envisaged data is further evaluated in terms of transmission spectrum, HOMO-LUMO Gap and number of electrons. We have scrutinized the behavior of the devices in the range of -2V to 2V for a step size of 0.2V. We observe that both thymine and adenine can act as molecular devices when sandwiched between two gold probes. A prominent observation is a drop in HLGs of adenine and thymine when working as a device as compared to their intrinsic values and this is comparative more visible in case of adenine. The current in the thymine based device exhibit linear increase with voltage in spite of having low conductance. Further, the broader transmission peaks represent the strong coupling of electrodes to the scattering molecule (thymine). Moreover, the observed current in case of thymine is almost 3-4 times than that of observed for adenine. The NDR effect has been perceived in case of adenine based device for higher bias voltages and can be utilized in various future electronics applications.

Keywords: adenine, DNA, extended Huckel, thymine, transmission spectra

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1517 Intensive Crosstalk between Autophagy and Intracellular Signaling Regulates Osteosarcoma Cell Survival Response under Cisplatin Stress

Authors: Jyothi Nagraj, Sudeshna Mukherjee, Rajdeep Chowdhury

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Autophagy has recently been linked with cancer cell survival post drug insult contributing to acquisition of resistance. However, the molecular signaling governing autophagic survival response is poorly explored. In our study, in osteosarcoma (OS) cells cisplatin shock was found to activate both MAPK and autophagy signaling. An activation of JNK and autophagy acted as pro-survival strategy, while ERK1/2 triggered apoptotic signals upon cisplatin stress. An increased sensitivity of the cells to cisplatin was obtained with simultaneous inhibition of both autophagy and JNK pathway. Furthermore, we observed that the autophagic stimulation upon drug stress regulates other developmentally active signaling pathways like the Hippo pathway in OS cells. Cisplatin resistant cells were thereafter developed by repetitive drug exposure followed by clonal selection. Basal levels of autophagy were found to be high in resistant cells to. However, the signaling mechanism leading to autophagic up-regulation and its regulatory effect differed in OS cells upon attaining drug resistance. Our results provide valuable clues to regulatory dynamics of autophagy that can be considered for development of improved therapeutic strategy against resistant type cancers.

Keywords: JNK, autophagy, drug resistance, cancer

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1516 Feedback Matrix Approach for Relativistic Runaway Electron Avalanches Dynamics in Complex Electric Field Structures

Authors: Egor Stadnichuk

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Relativistic runaway electron avalanches (RREA) are a widely accepted source of thunderstorm gamma-radiation. In regions with huge electric field strength, RREA can multiply via relativistic feedback. The relativistic feedback is caused both by positron production and by runaway electron bremsstrahlung gamma-rays reversal. In complex multilayer thunderstorm electric field structures, an additional reactor feedback mechanism appears due to gamma-ray exchange between separate strong electric field regions with different electric field directions. The study of this reactor mechanism in conjunction with the relativistic feedback with Monte Carlo simulations or by direct solution of the kinetic Boltzmann equation requires a significant amount of computational time. In this work, a theoretical approach to study feedback mechanisms in RREA physics is developed. It is based on the matrix of feedback operators construction. With the feedback matrix, the problem of the dynamics of avalanches in complex electric structures is reduced to the problem of finding eigenvectors and eigenvalues. A method of matrix elements calculation is proposed. The proposed concept was used to study the dynamics of RREAs in multilayer thunderclouds.

Keywords: terrestrial Gamma-ray flashes, thunderstorm ground enhancement, relativistic runaway electron avalanches, gamma-rays, high-energy atmospheric physics, TGF, TGE, thunderstorm, relativistic feedback, reactor feedback, reactor model

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1515 New Analytical Current-Voltage Model for GaN-based Resonant Tunneling Diodes

Authors: Zhuang Guo

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In the field of GaN-based resonant tunneling diodes (RTDs) simulations, the traditional Tsu-Esaki formalism failed to predict the values of peak currents and peak voltages in the simulated current-voltage(J-V) characteristics. The main reason is that due to the strong internal polarization fields, two-dimensional electron gas(2DEG) accumulates at emitters, resulting in 2D-2D resonant tunneling currents, which become the dominant parts of the total J-V characteristics. By comparison, based on the 3D-2D resonant tunneling mechanism, the traditional Tsu-Esaki formalism cannot predict the J-V characteristics correctly. To overcome this shortcoming, we develop a new analytical model for the 2D-2D resonant tunneling currents generated in GaN-based RTDs. Compared with Tsu-Esaki formalism, the new model has made the following modifications: Firstly, considering the Heisenberg uncertainty, the new model corrects the expression of the density of states around the 2DEG eigenenergy levels at emitters so that it could predict the half width at half-maximum(HWHM) of resonant tunneling currents; Secondly, taking into account the effect of bias on wave vectors on the collectors, the new model modifies the expression of the transmission coefficients which could help to get the values of peak currents closer to the experiment data compared with Tsu-Esaki formalism. The new analytical model successfully predicts the J-V characteristics of GaN-based RTDs, and it also reveals more detailed mechanisms of resonant tunneling happened in GaN-based RTDs, which helps to design and fabricate high-performance GaN RTDs.

Keywords: GaN-based resonant tunneling diodes, tsu-esaki formalism, 2D-2D resonant tunneling, heisenberg uncertainty

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1514 A Preliminary Report of HBV Full Genome Sequencing Derived from Iranian Intravenous Drug Users

Authors: Maryam Vaezjalali, Koroush Rahimian, Maryam Asli, Tahmineh Kandelouei, Foad Davoodbeglou, Amir H. Kashi

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Objectives: The present study was conducted to assess the HBV molecular profiles including genotypes, subgenotypes, subtypes & mutations in hepatitis B genes. Materials/Patients and Methods: This study was conducted on 229 intravenous drug users who referred to three Drop- in-Centers and a hospital in Tehran. HBV DNA was extracted from HBsAg positive serum samples and amplified by Nested PCR. HBV genotype, subgenotypes, subtype and genes mutation were determined by direct sequencing. Phylogenetic tree was constructed using neighbor- joining (NJ) method. Statistical analyses were carried out by SPSS 20. Results: HBV DNA was found in 3 HBsAg positive cases. Phylogenetic tree of derived HBV DNAs showed the existence of genotype D (subgenotype D1, subtype ayw2). Also immune escape mutations were determined in S gene. Conclusion: There were a few variations and genotypes and subtypes among infected intravenous drug users. This study showed the predominance of genotype D among intravenous drug users. Our study concurs with other reports from Iran, that all showing currently only genotype D is the only detectable genotype in Iran.

Keywords: drug users, genotype, HBV, phylogenetic tree

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1513 Examining Audiology Students: Clinical Reasoning Skills When Using Virtual Audiology Cases Aided With no Collaboration, Live Collaboration, and Virtual Collaboration

Authors: Ramy Shaaban

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The purpose of this study was to examine the difference in clinical reasoning skills of students when using virtual audiology cases with and without collaborative assistance from major learning approaches important to clinical reasoning skills and computer-based learning models: Situated Learning Theory, Social Development Theory, Scaffolding, and Collaborative Learning. A quasi-experimental design was conducted at two United States universities to examine whether there is a significant difference in clinical reasoning skills between three treatment groups using IUP Audiosim software. Two computer-based audiology case simulations were developed, and participants were randomly placed into the three groups: no collaboration, virtual collaboration, and live collaboration. The clinical reasoning data were analyzed using One-Way ANOVA and Tukey posthoc analyses. The results show that there was a significant difference in clinical reasoning skills between the three treatment groups. The score obtained by the no collaboration group was significantly less than the scores obtained by the virtual and live collaboration groups. Collaboration, whether virtual or in person, has a positive effect on students’ clinical reasoning. These results with audiology students indicate that combining collaboration models with scaffolding and embedding situated learning and social development theories into the design of future virtual patients has the potential to improve students’ clinical reasoning skills.

Keywords: clinical reasoning, virtual patients, collaborative learning, scaffolding

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1512 Synthesis of Biofuels of New Generation

Authors: Selena Gutiérrez, Araceli Martínez

Abstract:

One of the most important challenges worldwide, scientific and technological, is to have a sustainable energy source; friendly to the environment and widely available. Currently, the 85% of the energy used comes from the fossil sources. Another important environmental problem is that several rubber products (tires, gloves, hoses, among others) are discarded practically without any treatment. In nature, the degradation of such products will take at least 500 years. In 2009, the worldwide rubber production was about 23.6 million tons. In order to solve this problems, our research focus in an alternative synthesis of biofuels in a two-step approach: The metathesis degradation of industrial rubber (models of rubber waste), and the oligomers transesterification. Thus, cis-1,4-polybutadiene (Mn= 9.1x105, Mw/Mn= 2.2) and styrene-butadiene block copolymers with 30% (Mn= 1.61x105; Mw/Mn= 1.3) and 21% wt styrene (Mn= 1.92x105; Mw/Mn= 1.4) were degraded via metathesis with soybean oil as chain transfer agent (CTA) and green solvent; using [(PCy3)2Cl2Ru=CHPh] and [(1,3-diphenyl-4,5-dihydroimidazol-2-ylidene)(PCy3)Ru=CHPh] catalysts. Afterwards, the products were transesterified by basic homogeneous catalysis. Before transesterification, the polystyrene microblocks (Mn= 16,761; Mw/Mn= 1.2) were isolated. Finally, the biofuels obtained (BO) were purified, characterized and showed similar properties to standards biodiesel (SB) (Norms: EN 14214-03 and ASTM D6751-02), i.e. (SB / BO): molecular weight [Daltons] (570 / 543-596), density [g/cm3] (0.86-0.90 / 0.88), kinematic viscosity [mm2/s] (1.90-6.0 / 3.5-4.5), iodine (97 / 97-98) and cetane number (Min.47 / 56-58).

Keywords: biofuels, industrial rubber, metathesis, vegetable oils

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1511 Dynamic Stall Characterization of Low Reynolds Airfoil in Mars and Titan’s Atmosphere

Authors: Vatasta Koul, Vaibhav Sharma, Ayush Gupta, Rajesh Yadav

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Exploratory missions to Mars and Titan have increased recently with various endeavors to find an alternate home to humankind. The use of surface rovers has its limitations due to rugged and uneven surfaces of these planetary bodies. The use of aerial robots requires the complete aerodynamic characterization of these vehicles in the atmospheric conditions of these planetary bodies. The dynamic stall phenomenon is extremely important for rotary wings performance under low Reynolds number that can be encountered in Martian and Titan’s atmosphere. The current research focuses on the aerodynamic characterization and exploration of the dynamic stall phenomenon of two different airfoils viz. E387 and Selig-Donovan7003 in Martian and Titan’s atmosphere at low Reynolds numbers of 10000 and 50000. The two-dimensional numerical simulations are conducted using commercially available finite volume solver with multi-species non-reacting mixture of gases as the working fluid. The k-epsilon (k-ε) turbulence model is used to capture the unsteady flow separation and the effect of turbulence. The dynamic characteristics are studied at a fixed different constant rotational extreme of angles of attack. This study of airfoils at different low Reynolds number and atmospheric conditions on Mars and Titan will be resulting in defining the aerodynamic characteristics of these airfoils for unmanned aerial missions for outer space exploration.

Keywords: aerodynamics, dynamic stall, E387, SD7003

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1510 Simulation of the Flow in Bilayer Coextrusion Dies with Gradually Changing Calibrator Profiles

Authors: Mahesh Gupta

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The main goal in the design of a die for extrusion of a complex profile is to obtain a uniform velocity at the die exit. If the velocity at the exit of an extrusion die is not uniform, the shape of the extrudate profile can change significantly after the polymer exits the die. To rectify the extrudate distortion caused by non-uniform exit velocity, calibrators and sizers are often installed along the extrudate cooling system. Furthermore, the profile shape in calibrators and sizers is sometimes gradually changed to intentionally deform the extrudate to the required final product shape. This is exploited to simplify extrusion die design, because a relatively simple profile at the die exit can be modified to obtain a more complex profile by deforming it in calibrators or sizers. The gradual change in the shape of calibrator or sizer profiles can also be used to extrude slightly different profiles from the same die. In the present work, a combined flow, thermal and structural analysis is used to accurately predict distortion of extrudate profile after the polymer leaves a die. Simulations of the flow and extrudate deformation in two different bilayer coextrusion dies with gradually changing profile shape in successive calibrators and sizers will be presented. The effect of non-uniform exit velocity, cooling shrinkage and shape of sizer profiles on extrudate deformation is included in the simulation. The predicted extrudate shape and layer structure is found to match accurately with those in a coextruded product.

Keywords: coextrusion, extrusion die design, finite element method, polymers

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1509 Bifunctional Activity and Stability of Fused Plasmodium falciparum Orotate Phosphoribosyltransferase and Orotidine 5′-Monophosphate Decarboxylase

Authors: Patsarawadee Paojinda, Waranya Imprasittichai, Sudaratana R. Krungkrai, Nirianne Marie Q. Palacpac, Toshihiro Horii, Jerapan Krungkrai

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Fusion of the last two enzymes in the pyrimidine biosynthetic pathway in the inversed order by having COOH-terminal orotate phosphoribosyltransferase (OPRT) and NH2-terminal orotidine 5'-monophosphate decarboxylase (OMPDC), as OMPDC-OPRT, are described in many organisms. Here, we produced gene fusions of Plasmodium falciparum OMPDC-OPRT and expressed the bifunctional protein in Escherichia coli. The enzyme was purified to homogeneity using affinity and anion-exchange chromatography, exhibited enzymatic activities and functioned as a dimer. The activities, although unstable, can be stabilized by its substrate and product during purification and long-term storage. Furthermore, the enzyme expressed a perfect catalytic efficiency (kcat/Km). The kcat was selectively enhanced up to 3 orders of magnitude, while the Km was not much affected and remained at low µM levels when compared to the monofunctional enzymes. The fusion of the two enzymes, creating a “super-enzyme” with perfect catalytic power and more flexibility, reflects cryptic relationship of enzymatic reactivaties and metabolic functions on molecular evolution.

Keywords: bifunctional enzyme, orotate phosphoribosyltransferase, orotidine 5'-monophosphate decarboxylase, plasmodium falciparum

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1508 Systems Approach on Thermal Analysis of an Automatic Transmission

Authors: Sinsze Koo, Benjin Luo, Matthew Henry

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In order to increase the performance of an automatic transmission, the automatic transmission fluid is required to be warm up to an optimal operating temperature. In a conventional vehicle, cold starts result in friction loss occurring in the gear box and engine. The stop and go nature of city driving dramatically affect the warm-up of engine oil and automatic transmission fluid and delay the time frame needed to reach an optimal operating temperature. This temperature phenomenon impacts both engine and transmission performance but also increases fuel consumption and CO2 emission. The aim of this study is to develop know-how of the thermal behavior in order to identify thermal impacts and functional principles in automatic transmissions. Thermal behavior was studied using models and simulations, developed using GT-Suit, on a one-dimensional thermal and flow transport. A power train of a conventional vehicle was modeled in order to emphasis the thermal phenomena occurring in the various components and how they impact the automatic transmission performance. The simulation demonstrates the thermal model of a transmission fluid cooling system and its component parts in warm-up after a cold start. The result of these analyses will support the future designs of transmission systems and components in an attempt to obtain better fuel efficiency and transmission performance. Therefore, these thermal analyses could possibly identify ways that improve existing thermal management techniques with prioritization on fuel efficiency.

Keywords: thermal management, automatic transmission, hybrid, and systematic approach

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1507 Unsteady Three-Dimensional Adaptive Spatial-Temporal Multi-Scale Direct Simulation Monte Carlo Solver to Simulate Rarefied Gas Flows in Micro/Nano Devices

Authors: Mirvat Shamseddine, Issam Lakkis

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We present an efficient, three-dimensional parallel multi-scale Direct Simulation Monte Carlo (DSMC) algorithm for the simulation of unsteady rarefied gas flows in micro/nanosystems. The algorithm employs a novel spatiotemporal adaptivity scheme. The scheme performs a fully dynamic multi-level grid adaption based on the gradients of flow macro-parameters and an automatic temporal adaptation. The computational domain consists of a hierarchical octree-based Cartesian grid representation of the flow domain and a triangular mesh for the solid object surfaces. The hybrid mesh, combined with the spatiotemporal adaptivity scheme, allows for increased flexibility and efficient data management, rendering the framework suitable for efficient particle-tracing and dynamic grid refinement and coarsening. The parallel algorithm is optimized to run DSMC simulations of strongly unsteady, non-equilibrium flows over multiple cores. The presented method is validated by comparing with benchmark studies and then employed to improve the design of micro-scale hotwire thermal sensors in rarefied gas flows.

Keywords: DSMC, oct-tree hierarchical grid, ray tracing, spatial-temporal adaptivity scheme, unsteady rarefied gas flows

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1506 Strategies to Improve Heat Stress Tolerance in Chickpea and Dissecting the Cross Talk Mechanism

Authors: Renu Yadav, Sanjeev Kumar

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In northern India, chickpea (Cicer arietinum L.) come across with terminal high-temperature stress during reproductive stage which leads to reduced yield. Hence, stable production of chickpea will depend on the development of new methods like ‘priming’ which allow improved adaptation to the drought and heat stress. In the present experiment, 11-day chickpea seedling was primed with mild drought stress and put on recovery stage by irrigating and finally 30-day seedlings were exposed to heat stress 38°C (4 hours), 35°C (8 hours) and 32°C (12 hours). To study the effect of combinatorial stress, heat and drought stress was applied simultaneously. Analyses of various physiological parameters like membrane damage assay, photosynthetic pigments, antioxidative enzyme, total sugars were estimated at all stages. To study the effect of heat stress on the metabolites of the plants, GC-MS and HPLC were performed, while at transcriptional level Real-Time PCR of predicted heat stress-related genes was done. It was concluded that the heat stress significantly affected the chickpea plant at physiological and molecular level in all the five varieties. Results also show less damaging effect in primed plants by increasing the activity of antioxidative enzymes and increased expression of heat shock proteins and heat shock factors.

Keywords: chickpea, combinatorial stress, heat stress, oxidative stress, priming, RT-PCR

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1505 Eimeria spp. in Naturally Infected Calves

Authors: Nermin Isik, Ozlem Derinbay Ekici

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Bovine coccidiosis is a protozoan disease caused by various species of Eimeria and most signs of disease are chronic or subclinical. The aim of this study was to determine the prevalence of Eimeria spp. in calves in Konya, in Turkey. The study, conducted from January- February 2015, involved 240 faecal samples of calves in the age groups of <1 month, 1-3 months and >3 months in Konya city centre, in Turkey. In a retrospective study from these faecal samples of calves submitted to the University of Selcuk, Faculty of Veterinary Medicine, Laboratory of Parasitology were evaluated regarding the prevalence of Eimeria spp. Faecal samples were examined by Fulleborn saturated salt floatation technique. Eimeria oocysts were found in 8.33% of all samples. The positivity rates in each of the age groups were different. According to the age groups (<1 month, 1-3 months and >3 months), the Eimeria spp. were determined as 0.83, 22.73 and 7.41%, respectively. After examination of stool, detected oocysts were sporulated in 2.5% potassium dichromate at 22º C and species were identified as E. cylindrica, E. zuernii, E. ellipsoidalis, E. subspherica, E. bovis, E. auburnensis, E. canadensis, E. illinoisensis and E. brasiliensis in infected calves. In conclusion, the highest prevalence was observed in the age group of 1-3 months. The presence of Eimeria species in calves demonstrated for the first time in the Konya region in Turkey. Other etiologic agents should also be investigated in calves more seriously. Further molecular epidemiological studies should be performed in this community.

Keywords: Eimeria spp., calves, diarrhea, bovine coccidiosis

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1504 Analysis of the Touch and Step Potential Characteristics of an Earthing System Based on Finite Element Method

Authors: Nkwa Agbor Etobi Arreneke

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A well-designed earthing/grounding system will not only provide an effective path for direct dissipation of faulty currents into the earth/soil, but also ensure the safety of personnels withing and around its immediate surrounding perimeter is free from the possibility of fatal electric shock. In order to achieve the latter, it is of paramount importance to ensuring that both the step and touch potentials are kept within the allowable tolerance set by standards IEEE Std-80-2000. In this article, the step and touch potentials of an earthing system are simulated and conformity verified using the Finite Element Method (FEM), and has been found to be 242.4V and 194.80V respectively. The effect of injection current position is also analyzed to observe its effect on a person within or in contact with any active part of the earthing system of the substation. The values obtained closely matches those of other published works which made using different numerical methods and/or simulations Genetic Algorithm (GA). This current study is aimed at throwing more light to the dangers of step and touch potential of earthing systems of substation and electrical facilities as a whole, and the need for further in-dept analysis of these parameters. Observations made on this current paper shows that, the position of contact with an energize earthing system is of paramount important in determining its effect on living organisms in contact with any energized part of the earthing systems.

Keywords: earthing/grounding systems, finite element method (fem), ground/earth resistance, safety, touch and step potentials, generic algorithm

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1503 Ionic Polymer Actuators with Fast Response and High Power Density Based on Sulfonated Phthalocyanine/Sulfonated Polysulfone Composite Membrane

Authors: Taehoon Kwon, Hyeongrae Cho, Dirk Henkensmeier, Youngjong Kang, Chong Min Koo

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Ionic polymer actuators have been of interest in the bio-inspired artificial muscle devices. However, the relatively slow response and low power density were the obstacles for practical applications. In this study, ionic polymer actuators are fabricated with ionic polymer composite membranes based on sulfonated poly(arylene ether sulfone) (SPAES) and copper(II) phthalocyanine tetrasulfonic acid (CuPCSA). CuPCSA is an organic filler with very high ion exchange capacity (IEC, 4.5 mmol H+/g) that can be homogeneously dispersed on the molecular scale into the SPAES membrane. SPAES/CuPCSA actuators show larger ionic conductivity, mechanical properties, bending deformation, exceptional faster response to electrical stimuli, and larger mechanical power density (3028 W m–3) than Nafion actuators. This outstanding actuation performance of SPAES/CuPCSA composite membrane actuators makes them attractive for next generation transducers with high power density, which are currently developed biomimetic devices such as endoscopic surgery.

Keywords: actuation performance, composite membranes, ionic polymer actuators, organic filler

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1502 Fusion Neutron Generator Dosimetry and Applications for Medical, Security, and Industry

Authors: Kaouther Bergaui, Nafaa Reguigui, Charles Gary

Abstract:

Characterization and the applications of deuterium-deuterium (DD) neutron generator developed by Adelphie technology and acquired by the National Centre of Nuclear Science and Technology (NCNST) were presented in this work. We study the performance of the neutron generator in terms of neutron yield, production efficiency, and the ionic current as a function of the acceleration voltage at various RF powers. We provide the design and optimization of the PGNAA chamber and thus give insight into the capabilities of the planned PGNAA facility. Additional non-destructive techniques were studied employing the DD neutron generator, such as PGNAA and neutron radiography: The PGNAA is used for determining the concentration of 10B in Si and SiO2 matrices by using a germanium detector HPGe and the results obtained are compared with PGNAA system using a Sodium Iodide detector (NaI (Tl)); Neutron radiography facility was tested and simulated, using a camera device CCD and simulated by the Monte Carlo code; and the explosive detection system (EDS) also simulated using the Monte Carlo code. The study allows us to show that the new models of DD neutron generators are feasible and that superior-quality neutron beams could be produced and used for various applications. The feasibility of Boron neutron capture therapy (BNCT) for cancer treatment using a neutron generator was assessed by optimizing Beam Shaping Assembly (BSA) on a phantom using Monte-Carlo (MCNP6) simulations.

Keywords: neutron generator deuterium-deuterium, Monte Carlo method, radiation, neutron flux, neutron activation analysis, born, neutron radiography, explosive detection, BNCT

Procedia PDF Downloads 188
1501 Characterization of Enterotoxigenic Escherichia coli CS6 Promoter

Authors: Mondal Indranil, Bhakat Debjyoti, Mukhopadayay Asish K., Chatterjee Nabendu S.

Abstract:

CS6 is the prevalent CF in our region and deciphering its molecular regulators would play a pivotal role in reducing the burden of ETEC pathogenesis. In prokaryotes, most of the genes are under the control of one operon and the promoter present upstream of the gene regulates the transcription of that gene. Here the promoter of CS6 was characterized by computational method and further analyzed by β-galactosidase assay and sequencing. Promoter constructs and deletions were prepared as required to analyze promoter activity. The effect of different additives on the CS6 promoter was analysed by the β-galactosidase assay. Bioinformatics analysis done by Softberry/BPROM predicted fur, lrp, and crp boxes, -10 and -35 region upstream of the CS6 gene. The promoter construction in no promoter plasmid pTL61T showed that region -573 to +1 is actually the promoter region as predicted. Sequential deletion of the region upstream of CS6 revealed that promoter activity remains the same when -573bp to -350bp is deleted. But after the deletion of the upstream region -350 bp to -255bp, promoter expression decreases drastically to 26%. Further deletion also decreases promoter activity up to a little range. So the region -355bp to -255bp holds the promoter sequence for the CS6 gene. Additives like iron, NaCl, etc., modulate promoter activity in a dose-dependent manner. From the promoter analysis, it can be said that the minimum region lies between -254 and +1. Important region(s) lies between -350 bp to -255 bp upstream in the promoter, which might have important elements needed to control CS6 gene expression.

Keywords: microbiology, promoter, colonization factor, ETEC

Procedia PDF Downloads 159
1500 Tail-Binding Effect of Kinesin-1 Auto Inhibition Using Elastic Network Model

Authors: Hyun Joon Chang, Jae In Kim, Sungsoo Na

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Kinesin-1 (hereafter called kinesin) is a molecular motor protein that moves cargos toward the end of microtubules using the energy of adenosine triphosphate (ATP) hydrolysis. When kinesin is inactive, its tail autoinhibits the motor chain in order to prevent from reacting with the ATP by cross-linking of the tail domain to the motor domains at two positions. However, the morphological study of kinesin during autoinhibition is yet remained obscured. In this study, we report the effect of the binding site of the tail domain using the normal mode analysis of the elastic network model on kinesin in the tail-free form and tail-bind form. Considering the relationship between the connectivity of conventional network model with respect to the cutoff length and the functionality of the binding site of the tail, we revaluated the network model to observe the key role of the tail domain in its structural aspect. Contingent on the existence of the tail domain, the results suggest the morphological stability of the motor domain. Furthermore, employing the results from normal mode analysis, we have determined the strain energy of the neck linker, an essential portion of the motor domain for ATP hydrolysis. The results of the neck linker also converge to the same indication, i.e. the morphological analysis of the motor domain.

Keywords: elastic network model, Kinesin-1, autoinhibition

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1499 Nonclassical Antifolates: Synthesis, Biological Evaluation and Molecular Modeling Study of Some New Quinazolin-4-One Analogues as Dihydrofolate Reductase Inhibitors

Authors: Yomna Ibrahim El-Gazzar, Hussien Ibrahim El-Subbagh, Hanan Hanaa Georgey, Ghada S. Hassan Hassan

Abstract:

Dihydrofolate reductase (DHFR) is an enzyme that has pivotal importance in biochemistry and medicinal chemistry. It catalyzes the reduction of dihydrofolate to tetrahydrofolate and intimately couples with thymidylate synthase. Thymidylate synthase is a crucial enzyme that catalyzes the reductive methylation of (dUMP) to (dTMP) utilizing N5, N10-methylenetetrahydrofolate as a cofactor. A new series of 2-substituted thio-quinazolin-4-one analogs was designed that possessed electron withdrawing or donating functional groups (Cl or OCH3) at position 6- or 7-, 4-methoxyphenyl function at position 3-.The thiol function is used to connect to either 1,2,4-triazole, or 1,3,4-thiadiazole via a methylene bridge. Most of the functional groups designed to be accommodated on the quinazoline ring such as thioether, alkyl to increase lipid solubility of polar compounds, a character very much needed in the nonclassical DHFR inhibitors. The target compounds were verified with spectral data and elemental analysis. DHFR inhibitions, as well as antitumor activity, were applied on three cell lines (MCF-7, CACO-2, HEPG-2).

Keywords: nonclassical antifolates, DHFR Inhibitors, antitumor activity, quinazoline ring

Procedia PDF Downloads 389
1498 Waterborne Platooning: Cost and Logistic Analysis of Vessel Trains

Authors: Alina P. Colling, Robert G. Hekkenberg

Abstract:

Recent years have seen extensive technological advancement in truck platooning, as reflected in the literature. Its main benefits are the improvement of traffic stability and the reduction of air drag, resulting in less fuel consumption, in comparison to using individual trucks. Platooning is now being adapted to the waterborne transport sector in the NOVIMAR project through the development of a Vessel Train (VT) concept. The main focus of VT’s, as opposed to the truck platoons, is the decrease in manning on board, ultimately working towards autonomous vessel operations. This crew reduction can prove to be an important selling point in achieving economic competitiveness of the waterborne approach when compared to alternative modes of transport. This paper discusses the expected benefits and drawbacks of the VT concept, in terms of the technical logistic performance and generalized costs. More specifically, VT’s can provide flexibility in destination choices for shippers but also add complexity when performing special manoeuvres in VT formation. In order to quantify the cost and performances, a model is developed and simulations are carried out for various case studies. These compare the application of VT’s in the short sea and inland water transport, with specific sailing regimes and technologies installed on board to allow different levels of autonomy. The results enable the identification of the most important boundary conditions for the successful operation of the waterborne platooning concept. These findings serve as a framework for future business applications of the VT.

Keywords: autonomous vessels, NOVIMAR, vessel trains, waterborne platooning

Procedia PDF Downloads 216
1497 A Spatial Repetitive Controller Applied to an Aeroelastic Model for Wind Turbines

Authors: Riccardo Fratini, Riccardo Santini, Jacopo Serafini, Massimo Gennaretti, Stefano Panzieri

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This paper presents a nonlinear differential model, for a three-bladed horizontal axis wind turbine (HAWT) suited for control applications. It is based on a 8-dofs, lumped parameters structural dynamics coupled with a quasi-steady sectional aerodynamics. In particular, using the Euler-Lagrange Equation (Energetic Variation approach), the authors derive, and successively validate, such model. For the derivation of the aerodynamic model, the Greenbergs theory, an extension of the theory proposed by Theodorsen to the case of thin airfoils undergoing pulsating flows, is used. Specifically, in this work, the authors restricted that theory under the hypothesis of low perturbation reduced frequency k, which causes the lift deficiency function C(k) to be real and equal to 1. Furthermore, the expressions of the aerodynamic loads are obtained using the quasi-steady strip theory (Hodges and Ormiston), as a function of the chordwise and normal components of relative velocity between flow and airfoil Ut, Up, their derivatives, and section angular velocity ε˙. For the validation of the proposed model, the authors carried out open and closed-loop simulations of a 5 MW HAWT, characterized by radius R =61.5 m and by mean chord c = 3 m, with a nominal angular velocity Ωn = 1.266rad/sec. The first analysis performed is the steady state solution, where a uniform wind Vw = 11.4 m/s is considered and a collective pitch angle θ = 0.88◦ is imposed. During this step, the authors noticed that the proposed model is intrinsically periodic due to the effect of the wind and of the gravitational force. In order to reject this periodic trend in the model dynamics, the authors propose a collective repetitive control algorithm coupled with a PD controller. In particular, when the reference command to be tracked and/or the disturbance to be rejected are periodic signals with a fixed period, the repetitive control strategies can be applied due to their high precision, simple implementation and little performance dependency on system parameters. The functional scheme of a repetitive controller is quite simple and, given a periodic reference command, is composed of a control block Crc(s) usually added to an existing feedback control system. The control block contains and a free time-delay system eτs in a positive feedback loop, and a low-pass filter q(s). It should be noticed that, while the time delay term reduces the stability margin, on the other hand the low pass filter is added to ensure stability. It is worth noting that, in this work, the authors propose a phase shifting for the controller and the delay system has been modified as e^(−(T−γk)), where T is the period of the signal and γk is a phase shifting of k samples of the same periodic signal. It should be noticed that, the phase shifting technique is particularly useful in non-minimum phase systems, such as flexible structures. In fact, using the phase shifting, the iterative algorithm could reach the convergence also at high frequencies. Notice that, in our case study, the shifting of k samples depends both on the rotor angular velocity Ω and on the rotor azimuth angle Ψ: we refer to this controller as a spatial repetitive controller. The collective repetitive controller has also been coupled with a C(s) = PD(s), in order to dampen oscillations of the blades. The performance of the spatial repetitive controller is compared with an industrial PI controller. In particular, starting from wind speed velocity Vw = 11.4 m/s the controller is asked to maintain the nominal angular velocity Ωn = 1.266rad/s after an instantaneous increase of wind speed (Vw = 15 m/s). Then, a purely periodic external disturbance is introduced in order to stress the capabilities of the repetitive controller. The results of the simulations show that, contrary to a simple PI controller, the spatial repetitive-PD controller has the capability to reject both external disturbances and periodic trend in the model dynamics. Finally, the nominal value of the angular velocity is reached, in accordance with results obtained with commercial software for a turbine of the same type.

Keywords: wind turbines, aeroelasticity, repetitive control, periodic systems

Procedia PDF Downloads 245
1496 Isolation and Identification of Diacylglycerol Acyltransferase Type-2 (GAT2) Genes from Three Egyptian Olive Cultivars

Authors: Yahia I. Mohamed, Ahmed I. Marzouk, Mohamed A. Yacout

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Aim of this work was to study the genetic basis for oil accumulation in olive fruit via tracking DGAT2 (Diacylglycerol acyltransferase type-2) gene in three Egyptian Origen Olive cultivars namely Toffahi, Hamed and Maraki using molecular marker techniques and bioinformatics tools. Results illustrate that, firstly: specific genomic band of Maraki cultivars was identified as DGAT2 (Diacylglycerol acyltransferase type-2) and identical for this gene in Olea europaea with 100 % of similarity. Secondly, differential genomic band of Maraki cultivars which produced from RAPD fingerprinting technique reflected predicted distinguished sequence which identified as DGAT2 (Diacylglycerol acyltransferase type-2) in Fragaria vesca subsp. Vesca with 76% of sequential similarity. Third and finally, specific genomic specific band of Hamed cultivars was indentified as two fragments, 1-Olea europaea cultivar Koroneiki diacylglycerol acyltransferase type 2 mRNA, complete cds with two matches regions with 99% or 2-PREDICTED: Fragaria vesca subsp. vesca diacylglycerol O-acyltransferase 2-like (LOC101313050), mRNA with 86% of similarity.

Keywords: Olea europaea, fingerprinting, diacylglycerol acyltransferase type-2 (DGAT2), Egypt

Procedia PDF Downloads 496
1495 Finite Element Simulation of RC Exterior Beam-Column Joints Using Damage Plasticity Model

Authors: A. M. Halahla, M. H. Baluch, M. K. Rahman, A. H. Al-Gadhib, M. N. Akhtar

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In the present study, 3D simulation of a typical exterior (RC) beam–column joint (BCJ) strengthened with carbon fiber-reinforced plastic (CFRP) sheet are carried out. Numerical investigations are performed using a nonlinear finite element ( FE) analysis by incorporating damage plasticity model (CDP), for material behaviour the concrete response in compression, tension softening were used, linear plastic with isotropic hardening for reinforcing steel, and linear elastic lamina material model for CFRP sheets using the commercial FE software ABAQUS. The numerical models developed in the present study are validated with the results obtained from the experiment under monotonic loading using the hydraulic Jack in displacement control mode. The experimental program includes casting of deficient BCJ loaded to failure load for both un-strengthened and strengthened BCJ. The failure mode, and deformation response of CFRP strengthened and un-strengthened joints and propagation of damage in the components of BCJ are discussed. Finite element simulations are compared with the experimental result and are noted to yield reasonable comparisons. The damage plasticity model was able to capture with good accuracy of the ultimate load and the mode of failure in the beam column joint.

Keywords: reinforced concrete, exterior beam-column joints, concrete damage plasticity model, computational simulation, 3-D finite element model

Procedia PDF Downloads 379
1494 Atmospheric CO2 Capture via Temperature/Vacuum Swing Adsorption in SIFSIX-3-Ni

Authors: Eleni Tsalaporta, Sebastien Vaesen, James M. D. MacElroy, Wolfgang Schmitt

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Carbon dioxide capture has attracted the attention of many governments, industries and scientists over the last few decades, due to the rapid increase in atmospheric CO2 composition, with several studies being conducted in this area over the last few years. In many of these studies, CO2 capture in complex Pressure Swing Adsorption (PSA) cycles has been associated with high energy consumption despite the promising capture performance of such processes. The purpose of this study is the economic capture of atmospheric carbon dioxide for its transformation into a clean type of energy. A single column Temperature /Vacuum Swing Adsorption (TSA/VSA) process is proposed as an alternative option to multi column Pressure Swing Adsorption (PSA) processes. The proposed adsorbent is SIFSIX-3-Ni, a newly developed MOF (Metal Organic Framework), with extended CO2 selectivity and capacity. There are three stages involved in this paper: (i) SIFSIX-3-Ni is synthesized and pelletized and its physical and chemical properties are examined before and after the pelletization process, (ii) experiments are designed and undertaken for the estimation of the diffusion and adsorption parameters and limitations for CO2 undergoing capture from the air; and (iii) the CO2 adsorption capacity and dynamical characteristics of SIFSIX-3-Ni are investigated both experimentally and mathematically by employing a single column TSA/VSA, for the capture of atmospheric CO2. This work is further supported by a technical-economical study for the estimation of the investment cost and the energy consumption of the single column TSA/VSA process. The simulations are performed using gProms.

Keywords: carbon dioxide capture, temperature/vacuum swing adsorption, metal organic frameworks, SIFSIX-3-Ni

Procedia PDF Downloads 259
1493 Nano-Particle of π-Conjugated Polymer for Near-Infrared Bio-Imaging

Authors: Hiroyuki Aoki

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Molecular imaging has attracted much attention recently, which visualizes biological molecules, cells, tissue, and so on. Among various in vivo imaging techniques, the fluorescence imaging method has been widely employed as a useful modality for small animals in pre-clinical researches. However, the higher signal intensity is needed for highly sensitive in vivo imaging. The objective of the current study is the development of a fluorescent imaging agent with high brightness for the tumor imaging of a mouse. The strategy to enhance the fluorescence signal of a bio-imaging agent is the increase of the absorption of the excitation light and the fluorescence conversion efficiency. We developed a nano-particle fluorescence imaging agent consisting of a π-conjugated polymer emitting a fluorescence signal in a near infrared region. A large absorption coefficient and high emission intensity at a near infrared optical window for biological tissue enabled highly sensitive in vivo imaging with a tumor-targeting ability by an EPR (enhanced permeation and retention) effect. The signal intensity from the π-conjugated fluorescence imaging agent is larger by two orders of magnitude compared to a quantum dot, which has been known as the brightest imaging agent. The π-conjugated polymer nano-particle would be a promising candidate in the in vivo imaging of small animals.

Keywords: fluorescence, conjugated polymer, in vivo imaging, nano-particle, near-infrared

Procedia PDF Downloads 473