Search results for: proton irradiation
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 742

Search results for: proton irradiation

202 Solving Transient Conduction and Radiation using Finite Volume Method

Authors: Ashok K. Satapathy, Prerana Nashine

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Radiative heat transfer in participating medium was anticipated using the finite volume method. The radiative transfer equations are formulated for absorbing and anisotropically scattering and emitting medium. The solution strategy is discussed and the conditions for computational stability are conferred. The equations have been solved for transient radiative medium and transient radiation incorporated with transient conduction. Results have been obtained for irradiation and corresponding heat fluxes for both the cases. The solutions can be used to conclude incident energy and surface heat flux. Transient solutions were obtained for a slab of heat conducting in slab by thermal radiation. The effect of heat conduction during the transient phase is to partially equalize the internal temperature distribution. The solution procedure provides accurate temperature distributions in these regions. A finite volume procedure with variable space and time increments is used to solve the transient energy equation. The medium in the enclosure absorbs, emits, and anisotropically scatters radiative energy. The incident radiations and the radiative heat fluxes are presented in graphical forms. The phase function anisotropy plays a significant role in the radiation heat transfer when the boundary condition is non-symmetric.

Keywords: participating media, finite volume method, radiation coupled with conduction, heat transfer

Procedia PDF Downloads 375
201 Synthesis, Characterization and Photocatalytic Performance of Visible Light Induced Materials

Authors: M. Muneer, Waseem Raza

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Nano-crystalline materials of pure and metal-doped semiconducting materials have been successfully synthesized using sol gel and hydrothermal methods. The prepared materials were characterized by standard analytical techniques, i.e., XRD, SEM, EDX, UV–vis Spectroscopy and FTIR. The (XRD) analysis showed that the obtained particles are present in partial crystalline nature and exhibit no other impurity phase. The EDX and (SEM) images depicted that metals have been successfully loaded on the surface of the semiconductor. FTIR showed an additional absorption band at 910 cm−1, characteristic of absorption band indicating the incorporation of dopant into the lattice in addition to a broad and strong absorption band in the region of 410–580 cm−1 due to metal–O stretching. The UV–vis absorption spectra of synthesized particles indicate that the doping of metals into the lattice shift the absorption band towards the visible region. Thermal analysis, measurement of the synthesized sample showed that the thermal stability of pure semiconducting material is decreased due to increase in dopant concentration. The photocatalytic activity of the synthesized particles was studied by measuring the change in concentration of three different chromophoric dyes as a function of irradiation time. The photocatalytic activity of doped materials were found to increase with increase in dopant concentration.

Keywords: photocatalysis, metal doped semicondcutors, dye degradation, visible light active materials

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200 Ion Beam Writing and Implantation in Graphene Oxide, Reduced Graphene Oxide and Polyimide Through Polymer Mask for Sensorics Applications

Authors: Jan Luxa, Vlastimil Mazanek, Petr Malinsky, Alexander Romanenko, Mariapompea Cutroneo, Vladimir Havranek, Josef Novak, Eva Stepanovska, Anna Mackova, Zdenek Sofer

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Using accelerated energetic ions is an interesting method for the introduction of structural changes in various carbon-based materials. This way, the properties can be altered in two ways: a) the ions lead to the formation of conductive pathways in graphene oxide structures due to the elimination of oxygen functionalities and b) doping with selected ions to form metal nanoclusters, thus increasing the conductivity. In this work, energetic beams were employed in two ways to prepare capacitor structures in graphene oxide (GO), reduced graphene oxide (rGO) and polyimide (PI) on a micro-scale. The first method revolved around using ion beam writing with a focused ion beam, and the method involved ion implantation via a polymeric mask. To prepare the polymeric mask, a direct spin-coating of PMMA on top of the foils was used. Subsequently, proton beam writing and development in isopropyl alcohol were employed. Finally, the mask was removed using acetone solvent. All three materials were exposed to ion beams with an energy of 2.5-5 MeV and an ion fluence of 3.75x10¹⁴ cm-² (1800 nC.mm-²). Thus, prepared microstructures were thoroughly characterized by various analytical methods, including Scanning electron microscopy (SEM) with Energy-Dispersive X-ray spectroscopy (EDS), X-ray Photoelectron spectroscopy (XPS), micro-Raman spectroscopy, Rutherford Back-scattering Spectroscopy (RBS) and Elastic Recoil Detection Analysis (ERDA) spectroscopy. Finally, these materials were employed and tested as sensors for humidity using electrical conductivity measurements. The results clearly demonstrate that the type of ions, their energy and fluence all have a significant influence on the sensory properties of thus prepared sensors.

Keywords: graphene, graphene oxide, polyimide, ion implantation, sensors

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199 Design and Fabrication of a Parabolic trough Collector and Experimental Investigation of Direct Steam Production in Tehran

Authors: M. Bidi, H. Akhbari, S. Eslami, A. Bakhtiari

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Due to the high potential of solar energy utilization in Iran, development of related technologies is of great necessity. Linear parabolic collectors are among the most common and most efficient means to harness the solar energy. The main goal of this paper is design and construction of a parabolic trough collector to produce hot water and steam in Tehran. To provide precise and practical plans, 3D models of the collector under consideration were developed using Solidworks software. This collector was designed in a way that the tilt angle can be adjusted manually. To increase concentraion ratio, a small diameter absorber tube is selected and to enhance solar absorbtion, a shape of U-tube is used. One of the outstanding properties of this collector is its simple design and use of low cost metal and plastic materials in its manufacturing procedure. The collector under consideration was installed in Shahid Beheshti University of Tehran and the values of solar irradiation, ambient temperature, wind speed and collector steam production rate were measured in different days and hours of July. Results revealed that a 1×2 m parabolic trough collector located in Tehran is able to produce steam by the rate of 300ml/s under the condition of atmospheric pressure and without using a vacuum cover over the absorber tube.

Keywords: desalination, parabolic trough collector, direct steam production, solar water heater, design and construction

Procedia PDF Downloads 305
198 Microwave and Ultrasound Assisted Extraction of Pectin from Mandarin and Lemon Peel: Comparisons between Sources and Methods

Authors: Pınar Karbuz, A. Seyhun Kıpcak, Mehmet B. Piskin, Emek Derun, Nurcan Tugrul

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Pectin is a complex colloidal polysaccharide, found on the cell walls of all young plants such as fruit and vegetables. It acts as a thickening, stabilizing and gelling agent in foods. Pectin was extracted from mandarin and lemon peels using ultrasound and microwave assisted extraction methods to compare with these two different sources and methods of pectin production. In this work, the effect of microwave power (360, 600 W) and irradiation time (1, 2, 3 min) on the yield of extracted pectin from mandarin and lemon peels for microwave assisted extraction (MAE) were investigated. For ultrasound assisted extraction (UAE), parameters were determined as temperature (60, 75 °C) and sonication time (15, 30, 45 min) and hydrochloric acid (HCl) was used as an extracting agent for both extraction methods. The highest yields of extracted pectin from lemon peels were found to be 8.16 % (w/w) for 75 °C, 45 min by UAE and 8.58 % (w/w) for 360 W, 1 min by MAE. Additionally, the highest yields of extracted pectin from mandarin peels were found to be 11.29 % (w/w) for 75 °C, 45 min by UAE and 16.44 % (w/w) for 600 W, 1 min by MAE. The results showed that the use of microwave assisted extraction promoted a better yield when compared to the two extraction methods. On the other hand, according to the results of experiments, mandarin peels contain more pectin than lemon peels when the compared to the pectin product values of two sources. Therefore, these results suggested that MAE could be used as an efficient and rapid method for extraction of pectin and mandarin peels should be preferred as sources of pectin production compared to lemon peels.

Keywords: mandarin peel, lemon peel, pectin, ultrasound, microwave, extraction

Procedia PDF Downloads 231
197 Optimum Switch Temperature for Phase Change Materials in Buildings

Authors: El Hadi Bouguerra, Nouredine Retiel

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To avoid or at least to attenuate the global warming, it is essential to reduce the energy consumption of the buildings where the biggest potential of savings exists. The impending danger can come from the increase in the needs of air conditioning not only because of the climate warming but also the fast equipping of emerging or developing countries. Passive solutions exist and others are in promising development and therefore, must be applied wherever it is possible. Even if they do not always avoid the resort to an active cooling (mechanical), they allow lowering the load at an acceptable level which can be possibly taken in relay by the renewable energies. These solutions have the advantage to be relatively less expensive and especially adaptable to the existing housing. However, it is the internal convection resistance that controls the heat exchange between the phase change materials (PCM) and the indoor temperature because of the very low heat coefficients of natural convection. Therefore, it is reasonable to link the switch temperature Tm to the temperature of the substrate (walls and ceiling) because conduction heat transfer is dominant. In this case, external conditions (heat sources such as solar irradiation and ambient temperatures) and conductivities of envelope constituents are the most important factors. The walls are not at the same temperature year round; therefore, it is difficult to set a unique switch temperature for the whole season, making the average values a key parameter. With this work, the authors’ aim is to see which parameters influence the optimum switch temperature of a PCM and additionally, if a better selection of PCMs relating to their optimum temperature can enhance their energetic performances.

Keywords: low energy building, energy conservation, phase change materials, PCM

Procedia PDF Downloads 254
196 Synthesis and Characterization of Water Soluble Ferulic Acid-Grafted Chitosan

Authors: Sarekha Woranuch, Rangrong Yoksan

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Chitosan is a derivative of chitin, which is a second most naturally abundant polysaccharide found in crab shells, shrimp shells, and squid pens. The applications of chitosan in pharmaceutical, cosmetics, food and packaging industries have been reported owing to its general recognition as safe, excellent biodegradability and biocompatibility, as well as ability to form films, membranes, gels, beads, fibers and particles. Nevertheless, chitosan is an amino polysaccharide consisting of strong inter- and intramolecular hydrogen bonds which limit its solubility in neutral pH water resulting in restricted utilization. Chemical modification is an alternative way to impede hydrogen bond formation. The objective of the present research is to improve water solubility and antioxidant activity of chitosan by grafting with ferulic acid. Ferulic acid was grafted onto chitosan at the C-2 position via a carbodiimide-mediated coupling reaction. Different mole ratios of chitosan to ferulic acid (i.e. 1.0:0.0, 1.0:0.5, 1.0:1.0, 1.0:1.5, 1.0:2.0, and 1.0:2.5) and various reaction temperatures (i.e. 40, 60, and 80 °C) were used. The reaction was performed at different times (i.e. 1.5, 3.0, 4.5, and 6.0 h). The obtained ferulic acid-grafted chitosan was characterized by FTIR and 1H NMR technique. The influences of ferulic acid on crystallinity, solubility and radical scavenging activity of chitosan were also investigated. Ferulic acid grafted chitosan was successfully synthesized as confirmed from (i) the appearance of FTIR absorption band at 1517 cm-1 belonging to C=C aromatic ring of ferulic acid and the increased C–H stretching band intensity and (ii) the appearance of proton signals at δ = 6.31-7.67 ppm ascribing to methine protons of ferulic acid. The condition in which the reaction temperature of 60°C, reaction time of 3 h and the mole ratio of chitosan to ferulic acid of 1:1 gave the highest ferulic acid substitution degree, i.e. 0.37. The resulting ferulic acid grafted chitosan was soluble in water (1.3 mg/mL) due to its reduced crystallinity as compared with chitosan and also exhibited 90% greater radical scavenging activity than chitosan. The result suggested the utilization of ferulic acid grafted chitosan as an antioxidant material.

Keywords: antioxidant property, chitosan, ferulic acid, grafting

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195 A Geophysical Study for Delineating the Subsurface Minerals at El Qusier Area, Central Eastern Desert, Egypt

Authors: Ahmed Khalil, Elhamy Tarabees, Svetlana Kovacikova

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The Red Sea Mountains have been famous for their ore deposits since ancient times. Also, petrographic analysis and previous potential field surveys indicated large unexplored accumulations of ore minerals in the area. Therefore, the main goal of the presented study is to contribute to the discovery of hitherto unknown ore mineral deposits in the Red Sea region. To achieve this goal, we used two geophysical techniques: land magnetic survey and magnetotelluric data. A high-resolution land magnetic survey has been acquired using two proton magnetometers, one instrument used as a base station for the diurnal correction and the other used to measure the magnetic field along the study area. Two hundred eighty land magnetic stations were measured over a mesh-like area with a 500m spacing interval. The necessary reductions concerning daily variation, regional gradient and time observation were applied. Then, the total intensity anomaly map was constructed and transformed into the reduced magnetic pole (RTP). The magnetic interpretation was carried out using the analytical signal as well as regional–residual separation is carried out using the power spectrum. Also, the tilt derivative method (TDR) technique is applied to delineate the structure and hidden anomalies. Data analysis has been performed using trend analysis and Euler deconvolution. The results indicate that magnetic contacts are not the dominant geological feature of the study area. The magnetotleruric survey consisted of two profiles with a total of 8 broadband measurement points with a duration of about 24 hours crossing a wadi um Gheig approximately 50 km south of El Quseir. Collected data have been inverted to the electrical resistivity model using the 3D modular 3D inversion technique ModEM. The model revealed a non-conductive body in its central part, probably corresponding to a dolerite dyke, with which possible ore mineralization could be related.

Keywords: magnetic survey, magnetotelluric, mineralization, 3d modeling

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194 Numerical Analysis of a Pilot Solar Chimney Power Plant

Authors: Ehsan Gholamalizadeh, Jae Dong Chung

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Solar chimney power plant is a feasible solar thermal system which produces electricity from the Sun. The objective of this study is to investigate buoyancy-driven flow and heat transfer through a built pilot solar chimney system called 'Kerman Project'. The system has a chimney with the height and diameter of 60 m and 3 m, respectively, and the average radius of its solar collector is about 20 m, and also its average collector height is about 2 m. A three-dimensional simulation was conducted to analyze the system, using computational fluid dynamics (CFD). In this model, radiative transfer equation was solved using the discrete ordinates (DO) radiation model taking into account a non-gray radiation behavior. In order to modelling solar irradiation from the sun’s rays, the solar ray tracing algorithm was coupled to the computation via a source term in the energy equation. The model was validated with comparing to the experimental data of the Manzanares prototype and also the performance of the built pilot system. Then, based on the numerical simulations, velocity and temperature distributions through the system, the temperature profile of the ground surface and the system performance were presented. The analysis accurately shows the flow and heat transfer characteristics through the pilot system and predicts its performance.

Keywords: buoyancy-driven flow, computational fluid dynamics, heat transfer, renewable energy, solar chimney power plant

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193 Solar Building Design Using GaAs PV Cells for Optimum Energy Consumption

Authors: Hadis Pouyafar, D. Matin Alaghmandan

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Gallium arsenide (GaAs) solar cells are widely used in applications like spacecraft and satellites because they have a high absorption coefficient and efficiency and can withstand high-energy particles such as electrons and protons. With the energy crisis, there's a growing need for efficiency and cost-effective solar cells. GaAs cells, with their 46% efficiency compared to silicon cells 23% can be utilized in buildings to achieve nearly zero emissions. This way, we can use irradiation and convert more solar energy into electricity. III V semiconductors used in these cells offer performance compared to other technologies available. However, despite these advantages, Si cells dominate the market due to their prices. In our study, we took an approach by using software from the start to gather all information. By doing so, we aimed to design the optimal building that harnesses the full potential of solar energy. Our modeling results reveal a future; for GaAs cells, we utilized the Grasshopper plugin for modeling and optimization purposes. To assess radiation, weather data, solar energy levels and other factors, we relied on the Ladybug and Honeybee plugins. We have shown that silicon solar cells may not always be the choice for meeting electricity demands, particularly when higher power output is required. Therefore, when it comes to power consumption and the available surface area for photovoltaic (PV) installation, it may be necessary to consider efficient solar cell options, like GaAs solar cells. By considering the building requirements and utilizing GaAs technology, we were able to optimize the PV surface area.

Keywords: gallium arsenide (GaAs), optimization, sustainable building, GaAs solar cells

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192 Nasopharyngeal Cancer in Children and Adolescents: Experience of Emir Abdelkader Cancer Center of Oran Algeria

Authors: Taleb L., Benarbia M., Brahmi M., Belmiloud H., Boukerche A.

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Introduction and purpose of the study: Cavum cancer in children and adolescents is rare and represents 8% of all nasopharyngeal cancers treated in our department. Our objective is to study its epidemiological, clinical, therapeutic, and evolutionary particularities. Material and methods: Retrospective study of 39 patients under 20 years old, treated for undifferentiated non-metastatic carcinoma of the nasopharynx at the Emir Abdelkader Cancer Center between 2014 and 2020. Results and statistical analysis: Median age was 14 years [7-19 years], with a sex ratio of 2.9. The median time to diagnosis was 5.6 months [1 to 14 months], the circumstances of the discovery of which were dominated by lymph node syndrome in 43.6% of cases (n=17) followed by a rhinological syndrome in 30.8% of cases (n=13). The tumor stage was T1 for two patients (5.1%), T2 for 8 (20.5%), T3 for 9 (23.1%), T4 for 20 (51.3%), N0 for 2 (5 .1%) N1 for 4 (10.3%), N2 for 28 (71.8%) and N3 for 5 (12.8%). All patients received induction chemotherapy followed by concomitant radiotherapy with cisplatin. The dose of irradiation delivered to the cavum and adenopathies was 66 Gy with fractionation of 2 Gy per session in 69.2% of cases (n=27) and 1.8 Gy in 30.8% of cases (n=12). With a median follow-up of 51 months (15 to 97 months), the locoregional, metastatic, specific, and overall relapse-free survival rates at five years were 91.1%, 73.5%, 66.1%, and 68.4, respectively. Conclusion: Chemotherapy and radiotherapy treatment of cavum cancer in children and adolescents has allowed excellent locoregional control despite the advanced stage of the disease. However, the frequency of metastatic relapses could justify the possible use of systemic maintenance treatment.

Keywords: cancer, nasopharynx, radiotherapy, chemotherapy, survival

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191 Freeform Lens System for Collimation SERS irradiation Radiation Produced by Biolayers which Deposit on High Quality Resonant System

Authors: Iuliia Riabenko, Konstantin Beloshenko, Sergey Shulga, Valeriy Shulga

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An optical system has been developed consisting of a TIR lens and an aspherical surface designed to collect Stokes radiation from biomolecules. The freeform material is SYLGARD-184, which provides a low level of noise associated with the luminescence of the substrate. The refractive index of SYLGARD-184 is 1.4028 for a wavelength of 632 nm, the Abbe number is 72, these material parameters make it possible to design the desired shape for the wavelength range of 640-700 nm. The system consists of a TIR lens, inside which is placed a high-quality resonant system consisting of a biomolecule and a metal colloid. This system can be described using the coupled oscillator model. The laser excitation radiation was fed through the base of the TIR lens. The sample was mounted inside the TIR lens at a distance of 8 mm from the base. As a result of Raman scattering of laser radiation, a Stokes bend appeared from the biolayer. The task of this work was that it was necessary to collect this radiation emitted at a 4π steradian angle. For this, an internal aspherical surface was used, which made it possible to defocus the beam emanating from the biolayer and direct its radiation to the borders of the TIR lens at the Brewster angle. The collated beam of Stokes radiation contains 97% of the energy scattered by the biolayer. Thus, a simple scheme was proposed for collecting and collimating the Stokes radiation of biomolecules.

Keywords: TIR lens, freeform material, raman scattering, biolayer, brewster angle

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190 Fluorination Renders the Wood Surface Hydrophobic without Any Loos of Physical and Mechanical Properties

Authors: Martial Pouzet, Marc Dubois, Karine Charlet, Alexis Béakou

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The availability, the ecologic and economic characteristics of wood are advantages which explain the very wide scope of applications of this material, in several domains such as paper industry, furniture, carpentry and building. However, wood is a hygroscopic material highly sensitive to ambient humidity and temperature. The swelling and the shrinking caused by water absorption and desorption cycles lead to crack and deformation in the wood volume, making it incompatible for such applications. In this study, dynamic fluorination using F2 gas was applied to wood samples (douglas and silver fir species) to decrease their hydrophilic character. The covalent grafting of fluorine atoms onto wood surface through a conversion of C-OH group into C-F was validated by Fourier-Transform infrared spectroscopy and 19F solid state Nuclear Magnetic Resonance. It revealed that the wood, which is initially hydrophilic, acquired a hydrophobic character comparable to that of the Teflon, thanks to fluorination. A good durability of this treatment was also determined by aging tests under ambient atmosphere and under UV irradiation. Moreover, this treatment allowed obtaining hydrophobic character without major structural (morphology, density and colour) or mechanical changes. The maintaining of these properties after fluorination, which requires neither toxic solvent nor heating, appears as a remarkable advantage over other more traditional physical and chemical wood treatments.

Keywords: cellulose, spectroscopy, surface treatment, water absorption

Procedia PDF Downloads 199
189 Photocatalytic Degradation of Aqueous Organic Pollutant under UV Light Irradiation

Authors: D. Tassalit, N. Chekir, O. Benhabiles, N. A. Laoufi, F. Bentahar

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In the setting of the waters purification, some molecules appear recalcitrant to the traditional treatments. The exploitation of the properties of some catalysts permits to amplify the oxidization performances with ultraviolet radiance and to remove this pollution by a non biological way. This study was conducted to investigate the effect of a photocatalysis oxidation system for organic pollutants treatment using a new reactor design and ZnO/TiO2 as a catalyst under UV light. Oxidative degradation of tylosin by hydroxyl radicals (OH°) was studied in aqueous medium using suspended forms of ZnO and TiO2. The results improve that the treatment was affected by many factors such as flow-rate of solution, initial pollutant concentration and catalyst concentration. The rate equation for the tylosin degradation followed first order kinetics and the rate-constants were determined. The reaction rate fitted well with Langmuir–Hinshelwood model and the removed ratio of tylosin was 97 % in less than 60 minutes. To determine the optimum catalyst loading, a series of experiments were carried out by varying the amount of catalyst from 0.05 to 0.5 g/L. The results demonstrate that the rate of photodegradation is optimum with catalyst loading of 0.1 g/L, reaction flow rate of 3.79 mL/s and solution natural pH. The rate was found to increase with the decrease in tylosin concentration from 30 to 5 mg/L. Therefore, this simple photoreactor design for the removal of organic pollutants has the potential to be used in wastewater treatment.

Keywords: advanced oxidation, photocatalysis, TiO2, ZnO, UV light, pharmaceuticals pollutants, Spiramycin, tylosin, wastewater treatment

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188 Continuous Processing Approaches for Tunable Asymmetric Photochemical Synthesis

Authors: Amanda C. Evans

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Enabling technologies such as continuous processing (CP) approaches can provide the tools needed to control and manipulate reactivities and transform chemical reactions into micro-controlled in-flow processes. Traditional synthetic approaches can be radically transformed by the application of CP, facilitating the pairing of chemical methodologies with technologies from other disciplines. CP supports sustainable processes that controllably generate reaction specificity utilizing supramolecular interactions. Continuous photochemical processing is an emerging field of investigation. The use of light to drive chemical reactivity is not novel, but the controlled use of specific and tunable wavelengths of light to selectively generate molecular structure under continuous processing conditions is an innovative approach towards chemical synthesis. This investigation focuses on the use of circularly polarized (cp) light as a sustainable catalyst for the CP generation of asymmetric molecules. Chiral photolysis has already been achieved under batch, solid-phase conditions: using synchrotron-sourced cp light, asymmetric photolytic selectivities of up to 4.2% enantiomeric excess (e.e.) have been reported. In order to determine the optimal wavelengths to use for irradiation with cp light for any given molecular building block, CD and anisotropy spectra for each building block of interest have been generated in two different solvents (water, hexafluoroisopropanol) across a range of wavelengths (130-400 nm). These spectra are being used to support a series of CP experiments using cp light to generate enantioselectivity.

Keywords: anisotropy, asymmetry, flow chemistry, active pharmaceutical ingredients

Procedia PDF Downloads 154
187 Electrochemistry Analysis of Oxygen Reduction with Microalgal on Microbial Fuel Cell

Authors: Azri Yamina Mounia, Zitouni Dalila, Aziza Majda, Tou Insaf, Sadi Meriem

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To confront the fossil fuel crisis and the consequences of global warning, many efforts were devoted to develop alternative electricity generation and attracted numerous researchers, especially in the microbial fuel cell field, because it allows generating electric energy and degrading multiple organics compounds at the same time. However, one of the main constraints on power generation is the slow rate of oxygen reduction at the cathode electrode. This paper describes the potential of algal biomass (Chlorella vulgaris) as photosynthetic cathodes, eliminating the need for a mechanical air supply and the use of often expensive noble metal cathode catalysts, thus improving the sustainability and cost-effectiveness of the MFC system. During polarizations, MFC power density using algal biomass was 0.4mW/m², whereas the MFC with mechanic aeration showed a value of 0.2mW/m². Chlorella vulgaris was chosen due to its fastest growing. C. vulgaris grown in BG11 medium in sterilized Erlenmeyer flask. C. vulgaris was used as a bio‐cathode. Anaerobic activated sludge from the plant of Beni‐Messous WWTP(Algiers) was used in an anodic compartment. A dual‐chamber reactor MFC was used as a reactor. The reactor has been fabricated in the laboratory using plastic jars. The cylindrical and rectangular jars were used as the anode and cathode chambers, respectively. The volume of anode and cathode chambers was 0.8 and 2L, respectively. The two chambers were connected with a proton exchange membrane (PEM). The plain graphite plates (5 x 2cm) were used as electrodes for both anode and cathode. The cyclic voltammetry analysis of oxygen reduction revealed that the cathode potential was proportional to the amount of oxygen available in the cathode surface electrode. In the case of algal aeration, the peak reduction value of -2.18A/m² was two times higher than in mechanical aeration -1.85A/m². The electricity production reached 70 mA/m² and was stimulated immediately by the oxygen produced by algae up to the value of 20 mg/L.

Keywords: Chlorella vulgaris, cyclic voltammetry, microbial fuel cell, oxygen reduction

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186 Study Secondary Particle Production in Carbon Ion Beam Radiotherapy

Authors: Shaikah Alsubayae, Gianluigi Casse, Carlos Chavez, Jon Taylor, Alan Taylor, Mohammad Alsulimane

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Ensuring accurate radiotherapy with carbon therapy requires precise monitoring of radiation dose distribution within the patient's body. This monitoring is essential for targeted tumor treatment, minimizing harm to healthy tissues, and improving treatment effectiveness while lowering side effects. In our investigation, we employed a methodological approach to monitor secondary proton doses in carbon therapy using Monte Carlo simulations. Initially, Geant4 simulations were utilized to extract the initial positions of secondary particles formed during interactions between carbon ions and water. These particles included protons, gamma rays, alpha particles, neutrons, and tritons. Subsequently, we studied the relationship between the carbon ion beam and these secondary particles. Interaction Vertex Imaging (IVI) is valuable for monitoring dose distribution in carbon therapy. It provides details about the positions and amounts of secondary particles, particularly protons. The IVI method depends on charged particles produced during ion fragmentation to gather information about the range by reconstructing particle trajectories back to their point of origin, referred to as the vertex. In our simulations regarding carbon ion therapy, we observed a strong correlation between some secondary particles and the range of carbon ions. However, challenges arose due to the target's unique elongated geometry, which hindered the straightforward transmission of forward-generated protons. Consequently, the limited protons that emerged mostly originated from points close to the target entrance. The trajectories of fragments (protons) were approximated as straight lines, and a beam back-projection algorithm, using recorded interaction positions in Si detectors, was developed to reconstruct vertices. The analysis revealed a correlation between the reconstructed and actual positions.

Keywords: radiotherapy, carbon therapy, monitoring of radiation dose, interaction vertex imaging

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185 An Efficient Emitting Supramolecular Material Derived from Calixarene: Synthesis, Optical and Electrochemical Features

Authors: Serkan Sayin, Songul F. Varol

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High attention on the organic light-emitting diodes has been paid since their efficient properties in the flat panel displays, and solid-state lighting was realized. Because of their high efficient electroluminescence, brightness and providing eminent in the emission range, organic light emitting diodes have been preferred a material compared with the other materials consisting of the liquid crystal. Calixarenes obtained from the reaction of p-tert-butyl phenol and formaldehyde in a suitable base have been potentially used in various research area such as catalysis, enzyme immobilization, and applications, ion carrier, sensors, nanoscience, etc. In addition, their tremendous frameworks, as well as their easily functionalization, make them an effective candidate in the applied chemistry. Herein, a calix[4]arene derivative has been synthesized, and its structure has been fully characterized using Fourier Transform Infrared Spectrophotometer (FTIR), proton nuclear magnetic resonance (¹H-NMR), carbon-13 nuclear magnetic resonance (¹³C-NMR), liquid chromatography-mass spectrometry (LC-MS), and elemental analysis techniques. The calixarene derivative has been employed as an emitting layer in the fabrication of the organic light-emitting diodes. The optical and electrochemical features of calixarane-contained organic light-emitting diodes (Clx-OLED) have been also performed. The results showed that Clx-OLED exhibited blue emission and high external quantum efficacy. As a conclusion obtained results attributed that the synthesized calixarane derivative is a promising chromophore with efficient fluorescent quantum yield that provides it an attractive candidate for fabricating effective materials for fluorescent probes and labeling studies. This study was financially supported by the Scientific and Technological Research Council of Turkey (TUBITAK Grant no. 117Z402).

Keywords: calixarene, OLED, supramolecular chemistry, synthesis

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184 Nanosilver Containing Biodegradable Bionanocomposites for Antimicrobial Application: Design, Preparation and Study

Authors: Nino Kupatadze, Shorena Tskhadadze, Mzevinar Bedinashvili, David Tugushi, Ramaz Katsarava

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Surgical device-associated infection and biofilm formation are some of the major problems in biomedicine for today. The losing protection ability of conventional antimicrobial-drugs leads to the challenges in the current antibiotic therapy, the most serious of which is antibiotic resistance. Our strategy to overcome the biofilm formation consists in coating devices with polymeric film containing nanosilver(AgNPs) as a bactericidal agent. Such bionanocomposites are also promising as wound dressing materials. For this purpose, we have developed a new generation of AgNPs containing polymeric composites in which amino acid based biodegradable poly(ester amide)s (PEAs) were served as both matrices and AgNPs stabilizers. The AgNPs were formed by photochemical (daylight) reduction of AgNO3 in ethanol solution. The formation of AgNPs was monitored by coloring the solution in brownish-red and appearance of the absorption maximum at 420-430 nm in UV spectrum. Comparative studies of PEAs with polyvinylpyrrolidone (PVP) as particle stabilizers were carried out. It was found that PVP is better stabilizer in terms of particles yield and stability. Therefore, in subsequent experiments blends of PEAs and PVP were used as stabilizers for fabricating AgNPs. As expected, PVP increased the stabilizing effect and this apparently observed in the UV spectrum of the samples after 7 h daylight irradiation: for pure PVP λmax = 430 nm, D = 2.03, for pure PEA λmax= 420 nm, D = 0.65, and for the blend of PVP and PEA λmax = 435 nm, D = 1.88. Further study of the obtained nanobiocomposites is in progress now.

Keywords: biodegradation, bionanocompositions, polymer, nanosilver

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183 Extraction of Amorphous SiO₂ From Equisetnm Arvense Plant for Synthesis of SiO₂/Zeolitic Imidazolate Framework-8 Nanocomposite and Its Photocatalytic Activity

Authors: Babak Azari, Afshin Pourahmad, Babak Sadeghi, Masuod Mokhtari

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In this work, Equisetnm arvense plant extract was used for preparing amorphous SiO₂. For preparing of SiO₂/zeolitic imidazolate framework-8 (ZIF-8) nanocomposite by solvothermal method, the synthesized SiO₂ was added to the synthesis mixture ZIF-8. The nanocomposite was characterized using a range of techniques. The photocatalytic activity of SiO₂/ZIF-8 was investigated systematically by degrading crystal violet as a cationic dye under Ultraviolet light irradiation. Among synthesized samples (SiO₂, ZIF-8 and SiO₂/ZIF-8), the SiO₂/ZIF-8 exhibited the highest photocatalytic activity and improved stability compared to pure SiO₂ and ZIF-8. As evidenced by Scanning Electron Microscopy and Transmission electron microscopy images, ZIF-8 particles without aggregation are located over SiO₂. The SiO₂ not only provides structured support for ZIF-8 but also prevents the aggregation of ZIF-8 Metal-organic framework in comparison to the isolated ZIF-8. The superior activity of this photocatalyst was attributed to the synergistic effects from SiO₂ owing to (I) an electron acceptor (from ZIF-8) and an electron donor (to O₂ molecules), (II) preventing recombination of electron-hole in ZIF-8, and (III) maximum interfacial contact ZIF-8 with the SiO₂ surface without aggregation or prevent the accumulation of ZIF-8. The results demonstrate that holes (h+) and •O₂- are primary reactive species involved in the photocatalytic oxidation process. Moreover, the SiO₂/ZIF-8 photocatalyst did not show any obvious loss of photocatalytic activity during five-cycle tests, which indicates that the heterostructured photocatalyst was highly stable and could be used repeatedly.

Keywords: nano, zeolit, potocatalist, nanocomposite

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182 Application of Synthetic Monomers Grafted Xanthan Gum for Rhodamine B Removal in Aqueous Solution

Authors: T. Moremedi, L. Katata-Seru, S. Sardar, A. Bandyopadhyay, E. Makhado, M. Joseph Hato

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The rapid industrialisation and population growth have led to a steady fall in freshwater supplies worldwide. As a result, water systems are affected by modern methods upon use due to secondary contamination. The application of novel adsorbents derived from natural polymer holds a great promise in addressing challenges in water treatment. In this study, the UV irradiation technique was used to prepare acrylamide (AAm) monomer, and acrylic acid (AA) monomer grafted xanthan gum (XG) copolymer. Furthermore, the factors affecting rhodamine B (RhB) adsorption from aqueous media, such as pH, dosage, concentration, and time were also investigated. The FTIR results confirmed the formation of graft copolymer by the strong vibrational bands at 1709 cm-1 and 1612 cm-1 for AA and AAm, respectively. Additionally, more irregular, porous and wrinkled surface observed from SEM of XG-g-AAm/AA indicated copolymerization interaction of monomers. The optimum conditions for removing RhB dye with a maximum adsorption capacity of 313 mg/g at 25 0C from aqueous solution were pH approximately 5, initial dye concentration = 200 ppm, adsorbent dose = 30 mg. Also, the detailed investigation of the isothermal and adsorption kinetics of RhB from aqueous solution showed that the adsorption of the dye followed a Freundlich model (R2 = 0.96333) and pseudo-second-order kinetics. The results further indicated that this absorbent based on XG had the universality to remove dye through the mechanism of chemical adsorption. The outstanding adsorption potential of the grafted copolymer could be used to remove cationic dyes from aqueous solution as a low-cost product.

Keywords: xanthan gum, adsorbents, rhodamine B, Freundlich

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181 Effect of Barium Doping on Structural, Morphological, Optical and Photocatalytic Properties of Sprayed ZnO Thin Films

Authors: H. Djaaboube, I. Loucif, Y. Bouachiba, R. Aouati, A. Maameri, A. Taabouche, A. Bouabellou

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Thin films of pure and barium-doped zinc oxide (ZnO) were prepared using a spray pyrolysis process. The films were deposited on glass substrates at 450°C. The different samples are characterized by X-ray diffraction (XRD) and UV-Vis spectroscopy. X-ray diffraction patterns reveal the formation of a single ZnO Wurtzite structure and the good crystallinity of the films. The substitution of Ba ions influences the texture of the layers and makes the (002) plane a preferential growth plane. At concentrations below 6% Ba, the hexagonal structure of ZnO undergoes compressive stresses due to barium ions which have a radius twice of the Zn ions. This result leads to the decrees of a and c parameters and, therefore, the volume of the unit cell. This result is confirmed by the decrease in the number of crystallites and the increase in the size of the crystallites. At concentrations above 6%, barium substitutes the zinc atom and modifies the structural parameters of the thin layers. The bandgap of ZnO films decreased with increasing doping; this decrease is probably due to the 4d orbitals of the Ba atom due to the sp-d spin-exchange interactions between the band electrons and the localized d-electrons of the substituted Ba ion. Although, the Urbache energy undergoes an increase which implies the creation of energy levels below the conduction band and decreases the band gap width. The photocatalytic activity of ZnO doped 9% Ba was evaluated by the photodegradation of methylene blue under UV irradiation.

Keywords: barium, doping, photodegradation, spray pyrolysis, ZnO

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180 Antiulcer Activity of Aloe vera Gel against Indomethacin and Ethanol Induced Gastric Ulcers in Rats

Authors: Jyoti Manandhar Shrestha, Saurab Raj Joshi, Maya Shrestha, Prashanna Shrestha, Kshitij Chaulagain

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Background: The widespread use of non-steroidal anti-inflammatory drugs has increased the incidence of ulcer and serious complications, such as perforation and bleeding. Although, the H2 receptor blockers and proton pump inhibitors decrease the acid secretion and promote healing of ulcer, their value in preventing relapse, recurrence, “acid rebound” after cessation of therapy and associated long term adverse effects limit their utility. So to minimize this, the herbal plant Aloe vera having anti-oxidant, anti-inflammatory, mucus secreting, cyto-protective and healing property is believed to cure the peptic ulcer. Objectives: To observe whether oral treatment with Aloe vera gel can prevent peptic ulcer. Indomethacin and ethanol were used to induce gastric ulcers. Thirty six albino rats of either sex were randomly allotted to six groups of six animals each. The negative control was pretreated with normal saline, the positive controls received ranitidine (20 mg/kg) and the test group received Aloe vera gel (300 mg/kg) orally for eight days. Then, after a 24 hour fast Indomethacin (20 mg/kg) or 80% ethanol (2ml) was administered orally to induce ulceration. At the end of the study, the rats were sacrificed, their stomachs opened, the ulcer index studied and tissues sent for histopathological examination. Results: It was observed that, in indomethacin treated group, the ulcer index in control group was 8.167 ± 1.72.In the Aloe vera pretreated animals, the ulcer index was 2.83 ± 1.72 and the standard ranitidine pretreated group ulcer index was 1.67 ± 1.36. In ethanol treated group, the ulcer index in control group was 7.5 ± 2.73. In the Aloe vera pretreated animals, the ulcer index was 2.67 ± 1.75 and the standard ranitidine pretreated group ulcer index was 1.33±1.21. Both ranitidine and Aloe vera gel significantly prevented stomach from gastric ulceration induced by indomethacin and ethanol. Conclusion: The results indicated that Aloe vera gel is effective against indomethacin and ethanol mediated gastric ulcer.

Keywords: Aloe vera gel, ethanol, indomethacin, peptic ulcer, ranitidine

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179 Enhancing the CO2 Photoreduction of SnFe2O4 by Surface Modification Through Acid Treatment and Au Deposition

Authors: Najmul Hasan, Shiping Li, Chunli Liu

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The synergy effect of surface modifications using the acid treatment and noble metal (Au) deposition on the efficiency of SnFe2O4 (SFO) nano-octahedron photocatalyst has been investigated. Inorganic acids (H2SO4 and HNO3) were employed to compare the effects of different acids. It has been found that after corrosion treatment using H2SO4 and deposition of Au nanoparticles, SnFe2O4 nano-octahedron (Au-S-SFO) showed significantly enhanced photocatalytic activity under simulated light irradiation. Au-S-SFO was characterized by XRD, XPS, EDS, FTIR, Uv-vis-DRS, SEM, PL, and EIS analysis. The mechanism for CO2 reduction was investigated by scavenger tests. The stability of Au-S-SFO was confirmed by continuously repeated tests followed by XRD analysis. The surface corrosion treatment of SFO octahedron with H2SO4 could produce hydroxyl group (-OH) and sulfonic acid group (-SO3H) as reaction sites. These active sites not only enhanced the Au nanoparticles deposition to the acid treated SFO surface but also acted as the Brønsted acid sites that enhance the water adsorption and provide protons for CTC degradation and CO2 reduction. These effects improved the carrier separation and transfer efficiency. In addition, the photocatalytic efficiency was further enhanced by the surface plasmon resonance (SPR) effect of Au nanoparticles deposited on the surface of acid-treated SFO. As a result of the synergy of both acid treatment and SPR effect from the Au NPs, Au-S-SFO exhibited the highest CO2 reduction activity with 2.81, 1.92, and 2.69 times higher evolution rates for CO, CH4, and H2, respectively than that of pure SFO.

Keywords: surface modification, CO2 reduction, Au deposition, Gas-liquid interfacial plasma

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178 Preparation and Characterization of Titania-Coated Glass Fibrous Filters Using Aqueous Peroxotitanium Acid Solution

Authors: Ueda Honoka, Yasuo Hasegawa, Fumihiro Nishimura, Jae-Ho Kim, Susumu Yonezawa

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Aqueous peroxotitanium acid solution prepared from the TiO₂ fluorinated by F₂ gas was used for the TiO₂ coating on glass fibrous filters in this study. The coating of TiO₂ on the surface of glass fibers was carried out at 120℃ and for 15 min ~ 24 h with aqueous peroxotitanium acid solution using a hydrothermal synthesis autoclave reactor. The morphology TiO₂ coating layer was largely dependent on the reaction time, as shown in the results of scanning electron microscopy and energy dispersive X-ray spectroscopy. Increasing the reaction times, the TiO₂ layer on the glass expanded uniformly. Moreover, the surface fluorination of glass fibers can promote the formation of the TiO₂ layer on the surface. The photocatalytic activity of prepared titania-coated glass fibrous filters was investigated by both the degradation test of methylene blue (MB) and the decomposition test of gaseous acetaldehyde. The MB decomposition ratio with fluorinated samples was about 95% for 30 min of UV irradiation time, and it was much higher than that (70%) with the untreated thing. The decomposition ratio (50%) of gaseous acetaldehyde with fluorinated samples was also higher than that (30%) with the untreated thing. Consequently, photocatalytic activity is enhanced by surface fluorination.

Keywords: aqueous peroxotitanium acid solution, titania-coated glass fibrous filters, photocatalytic activity, surface fluorination

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177 Induced Chemistry for Dissociative Electron Attachment to Focused Electron Beam Induced Deposition Precursors Based on Ti, Si and Fe Metal Elements

Authors: Maria Pintea, Nigel Mason

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Induced chemistry is one of the newest pathways in the nanotechnology field with applications in the focused electron beam induced processes for deposition of nm scale structures. Si(OPr)₄ and Ti(OEt)₄ are two of the precursors that have not been so extensively researched, though highly sought for semiconductor and medical applications fields, the two compounds make good candidates for FEBIP and are the subject of velocity slice map imaging analysis for deposition purposes, offering information on kinetic energies, fragmentation channels, and angular distributions. The velocity slice map imaging technique is a method used for the characterization of molecular dynamics of the molecule and the fragmentation channels as a result of induced chemistry. To support the gas-phase analysis, Meso-Bio-Nano simulations of irradiation dynamics studies are employed with final results on Fe(CO)₅ deposited on various substrates. The software is capable of running large scale simulations for complex biomolecular, nano- and mesoscopic systems with applications to thermos-mechanical DNA damage, complex materials, gases, nanoparticles for cancer research and deposition applications for nanotechnology, using a large library of classical potentials, many-body force fields, molecular force fields involved in the classical molecular dynamics.

Keywords: focused electron beam induced deposition, FEBID, induced chemistry, molecular dynamics, velocity map slice imaging

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176 A Kinetic Study of Radical Polymerization of Acrylic Monomers in the Presence of the Liquid Crystal and the Electro-Optical Properties of These Mixtures

Authors: A. Bouriche, D. Merah, L.Alachaher-Bedjaoui, U. Maschke

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Intensive research continues in the field of liquid crystals (LCs) for their potential use in modern display applications. Nematic LCs has been most commonly used due to the large birefringence and their sensitivity to even weak perturbation forces induced by electric, magnetic and optical fields. Polymer dispersed liquid crystals (PDLCs), composed of micron-sized nematic LC droplets dispersed in a polymer matrix is an important class of materials for applications in different domains of technology involving large area display devices, optical switches, phase modulators, variable attenuators, polarisers, flexible displays and smart windows. In this study the composites are prepared from mixtures of monofunctional acrylic monomers, (Butylacrylate (ABu), 2-Ethylhexylacrylate (2-EHA), 2-Hydroxyethyl methacrylate (HEMA) and hydroxybutylmethacrylate (HBMA)) and two liquid crystals: (4-cyano-4'-n-pentyl-biphenyl) (5CB) and E7 which is an eutectic mixtures of four cyanoparaphenylenes. These mixtures are prepared adding the Darocur 1173 as photoinitiateor, the 1.6-hexanediol diacrylate (HDDA) as cross-linker agent, and finally they are exposed to UV irradiation. The kinetic polymerization of monomer/LC mixture were investigated with the Fourier Transform Infra Red spectroscopy (FTIR). The electro-optical properties of the PDLC films were determined by measuring the voltage dependence on the transmitted light.

Keywords: acrylic monomers, films PDLC, liquid crystal, polymerisation

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175 In vitro Characterization of Mice Bone Microstructural Changes by Low-Field and High-Field Nuclear Magnetic Resonance

Authors: Q. Ni, J. A. Serna, D. Holland, X. Wang

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The objective of this study is to develop Nuclear Magnetic Resonance (NMR) techniques to enhance bone related research applied on normal and disuse (Biglycan knockout) mice bone in vitro by using both low-field and high-field NMR simultaneously. It is known that the total amplitude of T₂ relaxation envelopes, measured by the Carr-Purcell-Meiboom-Gill NMR spin echo train (CPMG), is a representation of the liquid phase inside the pores. Therefore, the NMR CPMG magnetization amplitude can be transferred to the volume of water after calibration with the NMR signal amplitude of the known volume of the selected water. In this study, the distribution of mobile water, porosity that can be determined by using low-field (20 MHz) CPMG relaxation technique, and the pore size distributions can be determined by a computational inversion relaxation method. It is also known that the total proton intensity of magnetization from the NMR free induction decay (FID) signal is due to the water present inside the pores (mobile water), the water that has undergone hydration with the bone (bound water), and the protons in the collagen and mineral matter (solid-like protons). Therefore, the components of total mobile and bound water within bone that can be determined by low-field NMR free induction decay technique. Furthermore, the bound water in solid phase (mineral and organic constituents), especially, the dominated component of calcium hydroxyapatite (Ca₁₀(OH)₂(PO₄)₆) can be determined by using high-field (400 MHz) magic angle spinning (MAS) NMR. With MAS technique reducing NMR spectral linewidth inhomogeneous broadening and susceptibility broadening of liquid-solid mix, in particular, we can conduct further research into the ¹H and ³¹P elements and environments of bone materials to identify the locations of bound water such as OH- group within minerals and bone architecture. We hypothesize that with low-field and high-field magic angle spinning NMR can provide a more complete interpretation of water distribution, particularly, in bound water, and these data are important to access bone quality and predict the mechanical behavior of bone.

Keywords: bone, mice bone, NMR, water in bone

Procedia PDF Downloads 172
174 Qualitative and Quantitative Analysis of Uranium in Ceramic Tiles Using Laser-Induced Breakdown Spectroscopy and Gamma-Ray Spectroscopy

Authors: Reem M. Altuwirqi, Mohja S. Summan, Entesar A. Ganash, Safia H. Hamidalddin, Tamer E. Youssef, Mohammed A. Gondal

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Laser-Induced Breakdown Spectroscopy (LIBS) technique using 1064 nm Nd: YAG laser was optimized and applied for investigating the existence of radioactive elements (uranium) in twenty-six different ceramic tiles. These tiles were collected from the local Saudi market. Qualitative and quantitative analysis for trace radioactive elements like uranium in these samples was achieved using LIBS. The plasma parameters such as temperature and electron density were calculated to confirm that the plasma generated by the tile samples under laser irradiation can be related to analyte concentrations. In order to perform a quantitative analysis, calibration curves were constructed for two uranium lines (U II (424.166 nm) and U II (424.437 nm)). The Uranium activity concentration in Bq/kg for each sample was measured. Cross-validation of LIBS results with a conventional technique such as Gamma-Ray spectroscopy was also carried out for five ceramic samples. The results show that the LIBS method is an effective way of determining radioactive elements such as uranium in ceramic tiles. Moreover, the uranium concentrations of the investigated samples were below the permissible safe limit for building materials in the majority of samples. Such LIBS system could be applied to determine the presence of natural radioactive elements in ceramic tiles and their radioactivity level rapidly to ensure that they are under the safe allowed limit.

Keywords: laser-induced breakdown spectroscopy, gamma-ray spectroscopy, natural radioactivity, uranium, ceramic tiles

Procedia PDF Downloads 166
173 Abridging Pharmaceutical Analysis and Drug Discovery via LC-MS-TOF, NMR, in-silico Toxicity-Bioactivity Profiling for Therapeutic Purposing Zileuton Impurities: Need of Hour

Authors: Saurabh B. Ganorkar, Atul A. Shirkhedkar

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The need for investigations protecting against toxic impurities though seems to be a primary requirement; the impurities which may prove non - toxic can be explored for their therapeutic potential if any to assist advanced drug discovery. The essential role of pharmaceutical analysis can thus be extended effectively to achieve it. The present study successfully achieved these objectives with characterization of major degradation products as impurities for Zileuton which has been used for to treat asthma since years. The forced degradation studies were performed to identify the potential degradation products using Ultra-fine Liquid-chromatography. Liquid-chromatography-Mass spectrometry (Time of Flight) and Proton Nuclear Magnetic Resonance Studies were utilized effectively to characterize the drug along with five major oxidative and hydrolytic degradation products (DP’s). The mass fragments were identified for Zileuton and path for the degradation was investigated. The characterized DP’s were subjected to In-Silico studies as XP Molecular Docking to compare the gain or loss in binding affinity with 5-Lipooxygenase enzyme. One of the impurity of was found to have the binding affinity more than the drug itself indicating for its potential to be more bioactive as better Antiasthmatic. The close structural resemblance has the ability to potentiate or reduce bioactivity and or toxicity. The chances of being active biologically at other sites cannot be denied and the same is achieved to some extent by predictions for probability of being active with Prediction of Activity Spectrum for Substances (PASS) The impurities found to be bio-active as Antineoplastic, Antiallergic, and inhibitors of Complement Factor D. The toxicological abilities as Ames-Mutagenicity, Carcinogenicity, Developmental Toxicity and Skin Irritancy were evaluated using Toxicity Prediction by Komputer Assisted Technology (TOPKAT). Two of the impurities were found to be non-toxic as compared to original drug Zileuton. As the drugs are purposed and repurposed effectively the impurities can also be; as they can have more binding affinity; less toxicity and better ability to be bio-active at other biological targets.

Keywords: UFLC, LC-MS-TOF, NMR, Zileuton, impurities, toxicity, bio-activity

Procedia PDF Downloads 190