Search results for: noise characterization
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 3679

Search results for: noise characterization

1039 Influence of Yeast Strains on Microbiological Stability of Wheat Bread

Authors: E. Soboleva, E. Sergachyova, S. G. Davydenko, T. V. Meledina

Abstract:

Problem of food preservation is extremely important for mankind. Viscous damage ("illness") of bread results from development of Bacillus spp. bacteria. High temperature resistant spores of this microorganism are steady against 120°C) and remain in bread during pastries, potentially causing spoilage of the final product. Scientists are interested in further characterization of bread spoiling Bacillus spp. species. Our aim was to find weather yeast Saccharomyces cerevisiae strains that are able to produce natural antimicrobial killer factor can preserve bread illness. By diffusion method, we showed yeast antagonistic activity against spore-forming bacteria. Experimental technological parameters were the same as for bakers' yeasts production on the industrial scale. Risograph test during dough fermentation demonstrated gas production. The major finding of the study was a clear indication of the presence of killer yeast strain antagonistic activity against rope in bread causing bacteria. After demonstrating antagonistic effect of S. cerevisiae on bacteria using solid nutrient medium, we tested baked bread under provocative conditions. We also measured formation of carbon dioxide in the dough, dough-making duration and quality of the final products, when using different strains of S. cerevisiae. It is determined that the use of yeast S. cerevisiae RCAM 01730 killer strain inhibits appearance of rope in bread. Thus, natural yeast antimicrobial killer toxin, produced by some S. cerevisiae strains is an anti-rope in bread protector.

Keywords: bakers' yeasts, killer toxin, rope in bread, Saccharomyces cerevisiæ

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1038 Photocatalytic Degradation of Nd₂O₃@SiO₂ Core-Shell Nanocomposites Under UV Irradiation Against Methylene Blue and Rhodamine B Dyes

Authors: S. Divya, M. Jose

Abstract:

Over the past years, industrial dyes have emerged as a significant threat to aquatic life, extensively detected in drinking water and groundwater, thus contributing to water pollution due to their improper and excessive use. To address this issue, the utilization of core-shell structures has been prioritized as it demonstrates remarkable efficiency in utilizing light energy for catalytic reactions and exhibiting excellent photocatalytic activity despite the availability of various photocatalysts. This work focuses on the photocatalytic degradation of Nd₂O₃@SiO₂ CSNs under UV light irradiation against MB and RhB dyes. Different characterization techniques, including XRD, FTIR, and TEM analyses, were employed to reveal the material's structure, functional groups, and morphological features. VSM and XPS analyses confirmed the soft, paramagnetic nature and chemical states with respective atomic percentages, respectively. Optical band gaps, determined using the Tauc plot model, indicated 4.24 eV and 4.13 eV for Nd₂O₃ NPs and Nd₂O₃@SiO₂ CSNs, respectively. The reduced bandgap energy of Nd₂O₃@SiO₂ CSNs enhances light absorption in the UV range, potentially leading to improved photocatalytic efficiency. The Nd₂O₃@SiO₂ CSNs exhibited greater degradation efficiency, reaching 95% and 96% against MB and RhB dyes, while Nd₂O₃ NPs showed 90% and 92%, respectively. The enhanced efficiency of Nd₂O₃@SiO₂ CSNs can be attributed to the larger specific surface area provided by the SiO₂ shell, as confirmed by surface area analysis using the BET surface area analyzer through N₂ adsorption-desorption.

Keywords: core shell nanocomposites, rare earth oxides, photocatalysis, advanced oxidation process

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1037 Effects of Different Mechanical Treatments on the Physical and Chemical Properties of Turmeric

Authors: Serpa A. M., Gómez Hoyos C., Velásquez-Cock J. A., Ruiz L. F., Vélez Acosta L. M., Gañan P., Zuluaga R.

Abstract:

Turmeric (Curcuma Longa L) is an Indian rhizome known for its biological properties, derived from its active compounds such as curcuminoids. Curcumin, the main polyphenol in turmeric, only represents around 3.5% of the dehydrated rhizome and extraction yields between 41 and 90% have been reported. Therefore, for every 1000 tons of turmeric powder used for the extraction of curcumin, around 970 tons of residues are generated. The present study evaluates the effect of different mechanical treatments (waring blender, grinder and high-pressure homogenization) on the physical and chemical properties of turmeric, as an alternative for the transformation of the entire rhizome. Suspensions of turmeric (10, 20 y 30%) were processed by waring blender during 3 min at 12000 rpm, while the samples treated by grinder were processed evaluating two different Gaps (-1 and -1,5). Finally, the process by high-pressure homogenization, was carried out at 500 bar. According to the results, the luminosity of the samples increases with the severity of the mechanical treatment, due to the stabilization of the color associated with the inactivation of the oxidative enzymes. Additionally, according to the microstructure of the samples, the process by grinder (Gap -1,5) and by high-pressure homogenization allowed the largest size reduction, reaching sizes up to 3 m (measured by optical microscopy). This processes disrupts the cells and breaks their fragments into small suspended particles. The infrared spectra obtained from the samples using an attenuated total reflectance accessory indicates changes in the 800-1200 cm⁻¹ region, related mainly to changes in the starch structure. Finally, the thermogravimetric analysis shows the presence of starch, curcumin and some minerals in the suspensions.

Keywords: characterization, mechanical treatments, suspensions, turmeric rhizome

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1036 Surface Characterization and Femtosecond-Nanosecond Transient Absorption Dynamics of Bioconjugated Gold Nanoparticles: Insight into the Warfarin Drug-Binding Site of Human Serum Albumin

Authors: Osama K. Abou-Zied, Saba A. Sulaiman

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We studied the spectroscopy of 25-nm diameter gold nanoparticles (AuNPs), coated with human serum albumin (HSA) as a model drug carrier. The morphology and coating of the AuNPs were examined using transmission electron microscopy and dynamic light scattering. Resonance energy transfer from the sole tryptophan of HSA (Trp214) to the AuNPs was observed in which the fluorescence quenching of Trp214 is dominated by a static mechanism. Using fluorescein (FL) to probe the warfarin drug-binding site in HSA revealed the unchanged nature of the binding cavity on the surface of the AuNPs, indicating the stability of the protein structure on the metal surface. The transient absorption results of the surface plasmonic resonance (SPR) band of the AuNPs show three ultrafast dynamics that are involved in the relaxation process after excitation at 460 nm. The three decay components were assigned to the electron-electron (~ 400 fs), electron-phonon (~ 2.0 ps) and phonon-phonon (200–250 ps) interactions. These dynamics were not changed upon coating the AuNPs with HSA which indicates the chemical and physical stability of the AuNPs upon bioconjugation. Binding of FL in HSA did not have any measurable effect on the bleach recovery dynamics of the SPR band, although both FL and AuNPs were excited at 460 nm. The current study is important for a better understanding of the physical and dynamical properties of protein-coated metal nanoparticles which are expected to help in optimizing their properties for critical applications in nanomedicine.

Keywords: gold nanoparticles, human serum albumin, fluorescein, femtosecond transient absorption

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1035 Contribution to the Study of Reproduction of Water Birds (Case of Marsh Bouessdra, North East Algeria)

Authors: Wahiba Boudraa, Khalil Draidi, Badis Bakhouch, Farah Chettibi, Meriem Aberkane, Zihad Bouslama, Moussa Houhamdi

Abstract:

The Gulf of Annaba, located at the extreme north eastern Algerian; our site of study is a marsh administratively it is part of the wilaya of Annaba, municipality of El-Bouni; extends on a surface from 55 hectare, the maximum depth is of less 2m. A scheme of work was adopted for an evaluation and characterization of the reproduction of the water nicheurs birds in the marsh of Boussedra. Some important parameters described by the scientific literature; According to standardized methods, variables were the object of a regular follow-up during the period of reproduction. These parameters were taken into account: the installation date of the nests, the vegetable support; blossoming of eggs, causes of the failure of the blossomings (predation or abandonment), characteristics of the nests (composition, internal diameter, external diameter, depth and heightening), measurements of the distances nest-nest nearest, Depth of water, the measurement of eggs, size of laying, size of laying. The follow-up in the marsh was carried out between March 2013 until the month of July 2014 at a rate of two outputs per weeks, one located and noted the nests to control them each week. The study on the reproduction of the water birds enables us to note that this site plays a very important part in the wintering and the reproduction of certain species important. This study opens broad prospects for study of several phenomena related to the ecology of the water birds, and the conservation of the wetlands.

Keywords: Algeria, Boussedra, nests, reproduction, water birds

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1034 Characterization of the State of Pollution by Nitrates in the Groundwater in Arid Zones Case of Eloued District (South-East of Algeria)

Authors: Zair Nadje, Attoui Badra, Miloudi Abdelmonem

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This study aims to assess sensitivity to nitrate pollution and monitor the temporal evolution of nitrate contents in groundwater using statistical models and map their spatial distribution. The nitrate levels observed in the waters of the town of El-Oued differ from one aquifer to another. Indeed, the waters of the Quaternary aquifer are the richest in nitrates, with average annual contents varying from 6 mg/l to 85 mg/l, for an average of 37 mg/l. These levels are higher than the WHO standard (50 mg/l) for drinking water. At the water level of the Terminal Complex (CT) aquifer, the annual average nitrate levels vary from 14 mg/l to 37 mg/l, with an average of 18 mg/l. In the Terminal Complex, excessive nitrate levels are observed in the central localities of the study area. The spatial distribution of nitrates in the waters of the Quaternary aquifer shows that the majority of the catchment points of this aquifer are subject to nitrate pollution. This study shows that in the waters of the Terminal Complex aquifer, nitrate pollution evolves in two major areas. The first focus is South-North, following the direction of underground flow. The second is West-East, progressing towards the East zone. The temporal distribution of nitrate contents in the water of the Terminal Complex aquifer in the city of El-Oued showed that for decades, nitrate contents have suffered a decline after an increase. This evolution of nitrate levels is linked to demographic growth and the rapid urbanization of the city of El-Oued.

Keywords: anthropogenic activities, groundwater, nitrates, pollution, arid zones city of El-Oued, Algeria

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1033 Cryogenic Grinding of Mango (Mangifera indica L.) Peel and Its Effect on Chemical and Morphological Characteristics

Authors: Bhupinder Kaur, P. P. Srivastav

Abstract:

The fruit and vegetable industries are responsible for producing huge amount of waste, which is a problem to environmental safety and should be utilized efficiently. Mango (Mangifera indica L.) is an important commercially grown fruit and referred as the “King of fruits”. In 2015, India was the largest producer (18.506 MT) of mangoes and out of which 9.16 % lost during post-harvest handling. The mango kernel and peel represent approximately 17-22% and 7-22% of the overall mass of fruit respectively and discarded as waste. Hence, an attempt has been made with three mango cultivars (Langra, Dashehari, Fazli) to investigate the effect of cryogenic grinding on various characteristics of mango peel powder (MPP). The cryogenic grinding is an emerging technology which is used for retention of beneficial volatile and bioactive components. The feed rate was highest for Langra followed by Chausa. The samples have 2-4% fat along with significant amount of protein (4-6%) and crude fiber (9-13%). Mango peel is also a good source of minerals such as calcium, potassium, manganese, iron, copper, zinc, and magnesium. Interestingly, the significant amount of essential minerals like phosphorus and chlorine in all the varieties was found with the highest value in Langra (phosphorus 10.83% and chlorine 2.41%) which are not reported earlier. SEM analysis revealed the surface morphology and shape of the particles. Waste utilization is a promising measure from both an environmental and economic point of view. Chemical characterization of the samples indicated its potential to be used for the fortification of food products which in turn reduces hazards due to waste and improve functional quality of the foods.

Keywords: cryogenic grinding, morphological, mineral composition, SEM

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1032 Chitosan Hydrogel Containing Nitric Oxide Donors with Potent Antibacterial Effect

Authors: Milena Trevisan Pelegrino, Bruna De Araujo Lima, Mônica H. M. Do Nascimento, Christiane B. Lombello, Marcelo Brocchi, Amedea B. Seabra

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Nitric oxide (NO) is a small molecule involved in a wide range of physiological and pathophysiological processes, including vasodilatation, control of inflammatory pain, wound healing, and antibacterial activities. As NO is a free radical, the design of drugs that generates therapeutic amounts of NO in controlled spatial and time manners is still a challenge. In this study, the NO donor S-nitrosoglutathione (GSNO) was incorporated into the thermoresponsive Pluronic F-127 (PL) - chitosan (CS) hydrogel, in an easy and economically feasible methodology. CS is a polysaccharide with known antimicrobial and biocompatibility properties. Scanning electron microscopy, rheology and differential scanning calorimetry techniques were used for hydrogel characterization. The results demonstrated that the hydrogel has a smooth surface, thermoresponsive behavior, and good mechanical stability. The kinetics of NO release and GSNO diffusion from GSNO-containing PL/CS hydrogel demonstrated a sustained NO/GSNO release, in concentrations suitable for biomedical applications, at physiological and skin temperatures. The GSNO-PL/CS hydrogel demonstrated a concentration-dependent toxicity to Vero cells, and antimicrobial activity to Pseudomonas aeruginosa (minimum inhibitory concentration and minimum bactericidal concentration values of 0.5 µg·mL-1 of hydrogel, which correspondents to 1 mmol·L-1 of GSNO). Interesting, the concentration range in which the NO-releasing hydrogel demonstrated antibacterial effect was not found toxic to Vero mammalian cell. Thus, GSNO-PL/CS hydrogel is suitable biomaterial for topical NO delivery applications.

Keywords: antimicrobial, chitosan, biocompatibility, S-nitrosothiols

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1031 Dynamic Web-Based 2D Medical Image Visualization and Processing Software

Authors: Abdelhalim. N. Mohammed, Mohammed. Y. Esmail

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In the course of recent decades, medical imaging has been dominated by the use of costly film media for review and archival of medical investigation, however due to developments in networks technologies and common acceptance of a standard digital imaging and communication in medicine (DICOM) another approach in light of World Wide Web was produced. Web technologies successfully used in telemedicine applications, the combination of web technologies together with DICOM used to design a web-based and open source DICOM viewer. The Web server allowance to inquiry and recovery of images and the images viewed/manipulated inside a Web browser without need for any preinstalling software. The dynamic site page for medical images visualization and processing created by using JavaScript and HTML5 advancements. The XAMPP ‘apache server’ is used to create a local web server for testing and deployment of the dynamic site. The web-based viewer connected to multiples devices through local area network (LAN) to distribute the images inside healthcare facilities. The system offers a few focal points over ordinary picture archiving and communication systems (PACS): easy to introduce, maintain and independently platforms that allow images to display and manipulated efficiently, the system also user-friendly and easy to integrate with an existing system that have already been making use of web technologies. The wavelet-based image compression technique on which 2-D discrete wavelet transform used to decompose the image then wavelet coefficients are transmitted by entropy encoding after threshold to decrease transmission time, stockpiling cost and capacity. The performance of compression was estimated by using images quality metrics such as mean square error ‘MSE’, peak signal to noise ratio ‘PSNR’ and compression ratio ‘CR’ that achieved (83.86%) when ‘coif3’ wavelet filter is used.

Keywords: DICOM, discrete wavelet transform, PACS, HIS, LAN

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1030 Urban Health and Strategic City Planning: A Case from Greece

Authors: Alexandra P. Alexandropoulou, Andreas Fousteris, Eleni Didaskalou, Dimitrios A. Georgakellos

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As urbanization is becoming a major stress factor not only for the urban environment but also for the wellbeing of city dwellers, incorporating the issues of urban health in strategic city planning and policy-making has never been more relevant. The impact of urbanization can vary from low to severe and relates to all non-communicable diseases caused by the different functions of cities. Air pollution, noise pollution, water and soil pollution, availability of open green spaces, and urban heat island are the major factors that can compromise citizens' health. Urban health describes the effects of the social environment, the physical environment, and the availability and accessibility to health and social services. To assess the quality of urban wellbeing, all urban characteristics that might have an effect on citizens' health must be considered, evaluated, and introduced in integrated local planning. A series of indices and indicators can be used to better describe these effects and set the target values in policy making. Local strategic planning is one of the most valuable development tools a local city administration can possess; thus, it has become mandatory under Greek law for all municipalities. It involves a two-stage procedure; the first aims to collect, analyse and evaluate data on the current situation of the city (administrative data, population data, environmental data, social data, swot analysis), while the second aims to introduce a policy vision described and supported by distinct (nevertheless integrated) actions, plans and measures to be implemented with the aim of city development and citizen wellbeing. In this procedure, the element of health is often neglected or under-evaluated. A relative survey was conducted among all Greek local authorities in order to shed light on the current situation. Evidence shows that the rate of incorporation of health in strategic planning is lacking behind. The survey also highlights key hindrances and concerns raised by local officials and suggests a path for the way forward.

Keywords: urban health, strategic planning, local authorities, integrated development

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1029 Molecular Characterization and Identification of C-Type Lectin in Red Palm Weevil, Rhynchophorus ferrugineus Oliver

Authors: Hafiza Javaria Ashraf, Xinghong Wang, Zhanghong Shi, Youming Hou

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Insect’s innate immunity depends on a variety of defense responses for the recognition of invading pathogens. Pathogen recognition involves particular proteins known as pattern recognition receptors (PRRs). These PRRs interact with pathogen-associated molecular patterns (PAMPs) present on the surface of pathogens to distinguish between self and non-self. C-type lectins (CTLs) belong to a superfamily of PPRs which involved in insect immunity and defense mechanism. Rhynchophorus ferrugineus Olivier is a devastating pest of Palm cultivations in China. Although studies on R. ferrugineus immune mechanism and host defense have conducted, however, the role of CTL in immune responses of R. ferrugineus remains elusive. Here, we report RfCTL, which is a secreted protein containing a single-CRD domain. The open reading frame (ORF) of CTL is 226 bp, which encodes a putative protein of 168 amino acids. Transcript expression analysis revealed that RfCTL highly expressed in immune-related tissues, i.e., hemolymph and fat body. The abundance of RfCTL in the gut and fat body dramatically increased upon Staphylococcus aureus and Escherichia coli bacterial challenges, suggesting a role in defense against gram-positive and gram-negative bacterial infection. Taken together, we inferred that RfCTL might be involved in the immune defense of R. ferrugineus and established a solid foundation for future studies on R. ferrugineus CTL domain proteins for better understanding of insect immunity.

Keywords: biological invasion, c-type lectin, insect immunity, Rhynchophorus ferrugineus Oliver

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1028 Discovery of Exoplanets in Kepler Data Using a Graphics Processing Unit Fast Folding Method and a Deep Learning Model

Authors: Kevin Wang, Jian Ge, Yinan Zhao, Kevin Willis

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Kepler has discovered over 4000 exoplanets and candidates. However, current transit planet detection techniques based on the wavelet analysis and the Box Least Squares (BLS) algorithm have limited sensitivity in detecting minor planets with a low signal-to-noise ratio (SNR) and long periods with only 3-4 repeated signals over the mission lifetime of 4 years. This paper presents a novel precise-period transit signal detection methodology based on a new Graphics Processing Unit (GPU) Fast Folding algorithm in conjunction with a Convolutional Neural Network (CNN) to detect low SNR and/or long-period transit planet signals. A comparison with BLS is conducted on both simulated light curves and real data, demonstrating that the new method has higher speed, sensitivity, and reliability. For instance, the new system can detect transits with SNR as low as three while the performance of BLS drops off quickly around SNR of 7. Meanwhile, the GPU Fast Folding method folds light curves 25 times faster than BLS, a significant gain that allows exoplanet detection to occur at unprecedented period precision. This new method has been tested with all known transit signals with 100% confirmation. In addition, this new method has been successfully applied to the Kepler of Interest (KOI) data and identified a few new Earth-sized Ultra-short period (USP) exoplanet candidates and habitable planet candidates. The results highlight the promise for GPU Fast Folding as a replacement to the traditional BLS algorithm for finding small and/or long-period habitable and Earth-sized planet candidates in-transit data taken with Kepler and other space transit missions such as TESS(Transiting Exoplanet Survey Satellite) and PLATO(PLAnetary Transits and Oscillations of stars).

Keywords: algorithms, astronomy data analysis, deep learning, exoplanet detection methods, small planets, habitable planets, transit photometry

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1027 Green Synthesis of Spinach Derived Carbon Dots for Photocatalytic Generation of Hydrogen from Sulfide Wastewater

Authors: Priya Ruban, Thirunavoukkarasu Manikkannan, Sakthivel Ramasamy

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Sulfide is one of the major pollutants of tannery effluent which is mainly generated during the process of unhairing. Recovery of Hydrogen green fuel from sulfide wastewater using photocatalysis is a ‘Cleaner Production Method’, since renewable solar energy is utilized. It has triple advantages of the generation of H2, waste minimization and odor or pollution control. Designing of safe and green photocatalysts and developing suitable solar photoreactor is important for promoting this technology to large-scale application. In this study, green photocatalyst i.e., spinach derived carbon dots (SCDs 5 wt % and 10 wt %)/TiO2 nanocomposite was synthesized for generation of H2 from sulfide wastewater using lab-scale solar photocatalytic reactor. The physical characterization of the synthesized solar light responsive nanocomposites were studied by using DRS UV-Vis, XRD, FTIR and FESEM analysis. The absorption edge of TiO2 nanoparticles is extended to visible region by the incorporation of SCDs, which was used for converting noxious pollutant sulfide into eco-friendly solar fuel H2. The SCDs (10 wt%)-TiO2 nanocomposite exhibits enhanced photocatalytic hydrogen production i.e. ~27 mL of H2 (180 min) from simulated sulfide wastewater under LED visible light irradiation which is higher as compared to SCDs. The enhancement in the photocatalytic generation of H2 is attributed to combining of SCDs which increased the charge mobility. This work may provide new insights to usage of naturally available and cheap materials to design novel nanocomposite as a visible light active photocatalyst for the generation of H2 from sulfide containing wastewater.

Keywords: carbon dots, hydrogen fuel, hydrogen sulfide, photocatalysis, sulfide wastewater

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1026 Visible-Light-Driven OVs-BiOCl Nanoplates with Enhanced Photocatalytic Activity toward NO Oxidation

Authors: Jiazhen Liao, Xiaolan Zeng

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A series of BiOCl nanoplates with different oxygen vacancies (OVs) concentrations were successfully synthesized via a facile solvothermal method. The concentration of OVs of BiOCl can be tuned by the ratios of water/ethylene glycol. Such nanoplates containing oxygen vacancies served as an efficient visible-light-driven photocatalyst for NO oxidation. Compared with pure BiOCl, the enhanced photocatalytic performance was mainly attributed to the introduction of OVs, which greatly enhanced light absorption, promoted electron transfer, activated oxygen molecules. The present work could provide insights into the understanding of the role of OVs in photocatalysts for reference. Combined with characterization analysis, such as XRD(X-ray diffraction), XPS(X-ray photoelectron spectroscopy), TEM(Transmission Electron Microscopy), PL(Fluorescence Spectroscopy), and DFT (Density Functional Theory) calculations, the effect of vacancies on photoelectrochemical properties of BiOCl photocatalysts are shown. Furthermore, the possible reaction mechanisms of photocatalytic NO oxidation were also revealed. According to the results of in situ DRIFTS ( Diffused Reflectance Infrared Fourier Transform Spectroscopy), various intermediates were produced during different time intervals of NO photodegradation. The possible pathways are summarized below. First, visible light irradiation induces electron-hole pairs on the surface of OV-BOC (BiOCl with oxygen vacancies). Second, photogenerated electrons form superoxide radical with the contacted oxygen. Then, the NO molecules adsorbed on the surface of OV-BOC are attacked by superoxide radical and form nitrate instead of NO₂ (by-products). Oxygen vacancies greatly improve the photocatalytic oxidation activity of NO and effectively inhibit the production of harmful by-products during the oxidation of NO.

Keywords: OVs-BiOCl nanoplate, oxygen vacancies, NO oxidation, photocatalysis

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1025 Characterization of Nano Coefficient of Friction through Lfm of Superhydrophobic/Oleophobic Coatings Applied on 316l Ss

Authors: Hamza Shams, Sajid Saleem, Bilal A. Siddiqui

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This paper investigates the coefficient of friction at nano-levels of commercially available superhydrophobic/oleophobic coatings when applied over 316L SS. 316L Stainless Steel or Marine Stainless Steel has been selected for its widespread uses in structures, marine and biomedical applications. The coatings were investigated in harsh sand-storm and sea water environments. The particle size of the sand during the procedure was carefully selected to simulate sand-storm conditions. Sand speed during the procedure was carefully modulated to simulate actual wind speed during a sand-storm. Sample preparation was carried out using prescribed methodology by the coating manufacturer. The coating’s adhesion and thickness was verified before and after the experiment with the use of Scanning Electron Microscopy (SEM). The value for nano-level coefficient of friction has been determined using Lateral Force Microscopy (LFM). The analysis has been used to formulate a value of friction coefficient which in turn is associative of the amount of wear the coating can bear before the exposure of the base substrate to the harsh environment. The analysis aims to validate the coefficient of friction value as marketed by the coating manufacturers and more importantly test the coating in real-life applications to justify its use. It is expected that the coating would resist exposure to the harsh environment for a considerable amount of time. Further, it would prevent the sample from getting corroded in the process.

Keywords: 316L SS, scanning electron microscopy, lateral force microscopy, marine stainless steel, oleophobic coating, superhydrophobic coating

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1024 Synthesis and Characterization of Some Novel Carbazole Schiff Bases (OLED)

Authors: Baki Cicek, Umit Calisir

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Carbazoles have been replaced lots of studies from 1960's to present and also still continues. In 1987, the first diode device had been developed. Thanks to that study, light emitting devices have been investigated and developed and also have been used on commercial applications. Nowadays, OLED (Organic Light Emitting Diodes) technology is using on lots of electronic screen such as (mobile phone, computer monitors, televisions, etc.) Carbazoles were subject a lot of study as a semiconductor material. Although this technology is used commen and widely, it is still development stage. Metal complexes of these compounds are using at pigment dyes because of colored substances, polymer technology, medicine industry, agriculture area, preparing rocket fuel-oil, determine some of biological events, etc. Becides all of these to preparing of schiff base synthesis is going on intensely. In this study, some of novel carbazole schiff bases were synthesized starting from carbazole. For that purpose, firstly, carbazole was alkylated. After purification of N-substituted-carbazole was nitrated to sythesized 3-nitro-N-substituted and 3,6-dinitro-N-substituted carbazoles. At next step, nitro group/groups were reduced to amines. Purified with using a type of silica gel-column chromatography. At the last step of our study, with sythesized 3,6-diamino-N-substituted carbazoles and 3-amino-N-substituted carbazoles were reacted with aldehydes to condensation reactions. 3-(imino-p-hydroxybenzyl)-N-isobutyl -carbazole, 3-(imino-2,3,4-trimethoxybenzene)-N-butylcarbazole, 3-(imino-3,4-dihydroxybenzene)-N-octylcarbazole, 3-(imino-2,3-dihydroxybenzene)-N-octylkarbazole and 3,6-di(α-imino-β-naphthol) -N-hexylcarbazole compounds were synthesized. All of synthesized compounds were characterized with FT-IR, 1H-NMR, 13C-NMR, and LC-MS.

Keywords: carbazole, carbazol schiff base, condensation reactions, OLED

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1023 Development of a Laboratory Laser-Produced Plasma “Water Window” X-Ray Source for Radiobiology Experiments

Authors: Daniel Adjei, Mesfin Getachew Ayele, Przemyslaw Wachulak, Andrzej Bartnik, Luděk Vyšín, Henryk Fiedorowicz, Inam Ul Ahad, Lukasz Wegrzynski, Anna Wiechecka, Janusz Lekki, Wojciech M. Kwiatek

Abstract:

Laser produced plasma light sources, emitting high intensity pulses of X-rays, delivering high doses are useful to understand the mechanisms of high dose effects on biological samples. In this study, a desk-top laser plasma soft X-ray source, developed for radio biology research, is presented. The source is based on a double-stream gas puff target, irradiated with a commercial Nd:YAG laser (EKSPLA), which generates laser pulses of 4 ns time duration and energy up to 800 mJ at 10 Hz repetition rate. The source has been optimized for maximum emission in the “water window” wavelength range from 2.3 nm to 4.4 nm by using pure gas (argon, nitrogen and krypton) and spectral filtering. Results of the source characterization measurements and dosimetry of the produced soft X-ray radiation are shown and discussed. The high brightness of the laser produced plasma soft X-ray source and the low penetration depth of the produced X-ray radiation in biological specimen allows a high dose rate to be delivered to the specimen of over 28 Gy/shot; and 280 Gy/s at the maximum repetition rate of the laser system. The source has a unique capability for irradiation of cells with high pulse dose both in vacuum and He-environment. Demonstration of the source to induce DNA double- and single strand breaks will be discussed.

Keywords: laser produced plasma, soft X-rays, radio biology experiments, dosimetry

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1022 Azadrachea indica Leaves Extract Assisted Green Synthesis of Ag-TiO₂ for Degradation of Dyes in Aqueous Medium

Authors: Muhammad Saeed, Sheeba Khalid

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Aqueous pollution due to the textile industry is an important issue. Photocatalysis using metal oxides as catalysts is one of the methods used for eradication of dyes from textile industrial effluents. In this study, the synthesis, characterization, and evaluation of photocatalytic activity of Ag-TiO₂ are reported. TiO₂ catalysts with 2, 4, 6 and 8% loading of Ag were prepared by green methods using Azadrachea indica leaves' extract as reducing agent and titanium dioxide and silver nitrate as precursor materials. The 4% Ag-TiO₂ exhibited the best catalytic activity for degradation of dyes. Prepared catalyst was characterized by advanced techniques. Catalytic degradation of methylene blue and rhodamine B were carried out in Pyrex glass batch reactor. Deposition of Ag greatly enhanced the catalytic efficiency of TiO₂ towards degradation of dyes. Irradiation of catalyst excites electrons from conduction band of catalyst to valence band yielding an electron-hole pair. These photoexcited electrons and positive hole undergo secondary reaction and produce OH radicals. These active radicals take part in the degradation of dyes. More than 90% of dyes were degraded in 120 minutes. It was found that there was no loss catalytic efficiency of prepared Ag-TiO₂ after recycling it for two times. Photocatalytic degradation of methylene blue and rhodamine B followed Eley-Rideal mechanism which states that dye reacts in fluid phase with adsorbed oxygen. 27 kJ/mol and 20 kJ/mol were found as activation energy for photodegradation of methylene blue and rhodamine B dye respectively.

Keywords: TiO₂, Ag-TiO₂, methylene blue, Rhodamine B., photo degradation

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1021 Experimental Characterization of the AA7075 Aluminum Alloy Using Hot Shear Tensile Test

Authors: Trunal Bhujangrao, Catherine Froustey, Fernando Veiga, Philippe Darnis, Franck Girot Mata

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The understanding of the material behavior under shear loading has great importance for a researcher in manufacturing processes like cutting, machining, milling, turning, friction stir welding, etc. where the material experiences large deformation at high temperature. For such material behavior analysis, hot shear tests provide a useful means to investigate the evolution of the microstructure at a wide range of temperature and to improve the material behavior model. Shear tests can be performed by direct shear loading (e.g. torsion of thin-walled tubular samples), or appropriate specimen design to convert a tensile or compressive load into shear (e.g. simple shear tests). The simple shear tests are straightforward and designed to obtained very large deformation. However, many of these shear tests are concerned only with the elastic response of the material. It is becoming increasingly important to capture a plastic response of the material. Plastic deformation is significantly more complex and is known to depend more heavily on the strain rate, temperature, deformation, etc. Besides, there is not enough work is done on high-temperature shear loading, because of geometrical instability occurred during the plastic deformation. The aim of this study is to design a new shear tensile specimen geometry to convert the tensile load into dominant shear loading under plastic deformation. Design of the specimen geometry is based on FEM. The material used in this paper is AA7075 alloy, tested quasi statically under elevated temperature. Finally, the microstructural changes taking place during

Keywords: AA7075 alloy, dynamic recrystallization, edge effect, large strain, shear tensile test

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1020 Normal Coordinate Analysis, Molecular Structure, Vibrational, Electronic Spectra, and NMR Investigation of 4-Amino-3-Phenyl-1H-1,2,4-Triazole-5(4H)-Thione by Ab Initio HF and DFT Method

Authors: Khaled Bahgat

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In the present work, the characterization of 4-Amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione (APTT) molecule was carried out by quantum chemical method and vibrational spectral techniques. The FT-IR (4000–400 cm_1) and FT-Raman (4000–100 cm_1) spectra of APTT were recorded in solid phase. The UV–Vis absorption spectrum of the APTT was recorded in the range of 200–400 nm. The molecular geometry, harmonic vibrational frequencies and bonding features of APTT in the ground state have been calculated by HF and DFT methods using 6-311++G(d,p) basis set. The complete vibrational frequency assignments were made by normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology (SQMF). The molecular stability and bond strength were investigated by applying the natural bond orbital analysis (NBO) and natural localized molecular orbital (NLMO) analysis. The electronic properties, such as excitation energies, absorption wavelength, HOMO and LUMO energies were performed by time depended DFT (TD-DFT) approach. The 1H and 13C nuclear magnetic resonance chemical shift of the molecule were calculated using the gauge-including atomic orbital (GIAO) method and compared with experimental results. Finally, the calculation results were analyzed to simulate infrared, FT-Raman and UV spectra of the title compound which shows better agreement with observed spectra.

Keywords: 4-amino-3-phenyl-1H-1, 2, 4-triazole-5(4H)-thione, vibrational assignments, normal coordinate analysis, quantum mechanical calculations

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1019 Study of Pipes Scaling of Purified Wastewater Intended for the Irrigation of Agadir Golf Grass

Authors: A. Driouiche, S. Mohareb, A. Hadfi

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In Morocco’s Agadir region, the reuse of treated wastewater for irrigation of green spaces has faced the problem of scaling of the pipes of these waters. This research paper aims at studying the phenomenon of scaling caused by the treated wastewater from the Mzar sewage treatment plant. These waters are used in the irrigation of golf turf for the Ocean Golf Resort. Ocean Golf, located about 10 km from the center of the city of Agadir, is one of the most important recreation centers in Morocco. The course is a Belt Collins design with 27 holes, and is quite open with deep challenging bunkers. The formation of solid deposits in the irrigation systems has led to a decrease in their lifetime and, consequently, a loss of load and performance. Thus, the sprinklers used in golf turf irrigation are plugged in the first weeks of operation. To study this phenomenon, the wastewater used for the irrigation of the golf turf was taken and analyzed at various points, and also samples of scale formed in the circuits of the passage of these waters were characterized. This characterization of the scale was performed by X-ray fluorescence spectrometry, X-ray diffraction (XRD), thermogravimetric analysis (TGA), differential thermal analysis (DTA), and scanning electron microscopy (SEM). The results of the physicochemical analysis of the waters show that they are full of bicarbonates (653 mg/L), chloride (478 mg/L), nitrate (412 mg/L), sodium (425 mg/L) and calcium (199mg/L). Their pH is slightly alkaline. The analysis of the scale reveals that it is rich in calcium and phosphorus. It is formed of calcium carbonate (CaCO₃), silica (SiO₂), calcium silicate (Ca₂SiO₄), hydroxylapatite (Ca₁₀P₆O₂₆), calcium carbonate and phosphate (Ca₁₀(PO₄) 6CO₃) and silicate calcium and magnesium (Ca₅MgSi₃O₁₂).

Keywords: Agadir, irrigation, scaling water, wastewater

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1018 Synthesis, Characterization, and Application of Novel Trihexyltetradecyl Phosphonium Chloride for Extractive Desulfurization of Liquid Fuel

Authors: Swapnil A. Dharaskar, Kailas L. Wasewar, Mahesh N. Varma, Diwakar Z. Shende

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Owing to the stringent environmental regulations in many countries for production of ultra low sulfur petroleum fractions intending to reduce sulfur emissions results in enormous interest in this area among the scientific community. The requirement of zero sulfur emissions enhances the prominence for more advanced techniques in desulfurization. Desulfurization by extraction is a promising approach having several advantages over conventional hydrodesulphurization. Present work is dealt with various new approaches for desulfurization of ultra clean gasoline, diesel and other liquid fuels by extraction with ionic liquids. In present paper experimental data on extractive desulfurization of liquid fuel using trihexyl tetradecyl phosphonium chloride has been presented. The FTIR, 1H-NMR, and 13C-NMR have been discussed for the molecular confirmation of synthesized ionic liquid. Further, conductivity, solubility, and viscosity analysis of ionic liquids were carried out. The effects of reaction time, reaction temperature, sulfur compounds, ultrasonication, and recycling of ionic liquid without regeneration on removal of dibenzothiphene from liquid fuel were also investigated. In extractive desulfurization process, the removal of dibenzothiophene in n-dodecane was 84.5% for mass ratio of 1:1 in 30 min at 30OC under the mild reaction conditions. Phosphonium ionic liquids could be reused five times without a significant decrease in activity. Also, the desulfurization of real fuels, multistage extraction was examined. The data and results provided in present paper explore the significant insights of phosphonium based ionic liquids as novel extractant for extractive desulfurization of liquid fuels.

Keywords: ionic liquid, PPIL, desulfurization, liquid fuel, extraction

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1017 Calculation of the Normalized Difference Vegetation Index and the Spectral Signature of Coffee Crops: Benefits of Image Filtering on Mixed Crops

Authors: Catalina Albornoz, Giacomo Barbieri

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Crop monitoring has shown to reduce vulnerability to spreading plagues and pathologies in crops. Remote sensing with Unmanned Aerial Vehicles (UAVs) has made crop monitoring more precise, cost-efficient and accessible. Nowadays, remote monitoring involves calculating maps of vegetation indices by using different software that takes either Truecolor (RGB) or multispectral images as an input. These maps are then used to segment the crop into management zones. Finally, knowing the spectral signature of a crop (the reflected radiation as a function of wavelength) can be used as an input for decision-making and crop characterization. The calculation of vegetation indices using software such as Pix4D has high precision for monoculture plantations. However, this paper shows that using this software on mixed crops may lead to errors resulting in an incorrect segmentation of the field. Within this work, authors propose to filter all the elements different from the main crop before the calculation of vegetation indices and the spectral signature. A filter based on the Sobel method for border detection is used for filtering a coffee crop. Results show that segmentation into management zones changes with respect to the traditional situation in which a filter is not applied. In particular, it is shown how the values of the spectral signature change in up to 17% per spectral band. Future work will quantify the benefits of filtering through the comparison between in situ measurements and the calculated vegetation indices obtained through remote sensing.

Keywords: coffee, filtering, mixed crop, precision agriculture, remote sensing, spectral signature

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1016 Fabrication and Mechanical Characterization of Sugarcane Bagasse Fiber-Reinforced Polypropylene Based Composites: Effect of Gamma Radiation

Authors: Kamrun N. Keya, Nasrin A. Kona, Ruhul A. Khan

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Sugarcane bagasse (SCB)-reinforced Polypropylene (PP) Based matrix composites (25-45 wt% fiber) were fabricated by a compression molding technique. The SCB surface was chemically modified using 5%-10% sodium hydroxide (NaOH), and after that, mechanical properties, water uptake, and soil degradation of the composites were investigated. Tensile strength (TS), tensile modulus (TM), bending strength (BS), bending modulus (BM) and elongation at break (Eb%) of the 30wt% composites were found to be 35.6 MPa, 10.2 GPa, 56 MPa, 5.6 GPa, and 11%, respectively. The SCB/PP based composites were treated with irradiated under gamma radiation (the source strength 50 kCi Cobalt-60) of various doses (2.5 kGy to 10 kGy). The effect of gamma radiation on the composites was also investigated, and it found that the effect of 5.0 kGy (i.e. units for radiation measurement is 'gray', kGy=kilogray ) gamma dose showed better mechanical properties than other doses. The results revealed that the combination of the chemical modification of the SCB fibers and irradiation of the composites were more effective in compatibility improvement than chemical modification alone. After flexural testing, fracture sides of the untreated and treated both composites were studied by scanning electron microscope (SEM). SEM results of the treated SCB/PP based composites showed better fiber-matrix adhesion than untreated SCB/PP based composites. However, it was found that the treated SCB/PP composite has better mechanical strength, durability, and more receptivity than untreated SCB/PP based composite.

Keywords: sugarcane bagasse (SCB), polypropylene (PP), mechanical properties, scanning electron microscope (SEM), gamma radiation, water uptake tests and soil degradation

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1015 Nickel Substituted Cobalt Ferrites via Ceramic Rout Approach: Exploration of Structural, Optical, Dielectric and Electrochemical Behavior for Pseudo-Capacitors

Authors: Talat Zeeshan

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Nickel doped cobalt ferrites 〖(Co〗_(1-x) Ni_x Fe_2 O_4) has been synthesized with the variation of Ni dopant (x=0.0, 0.25, 0.50, 0.75) by ball milling route at 150 RPM for 3hrs. The impact of nickel on Co ferrites has been investigated by using various approaches of characterization such as XRD (X-Ray diffraction), SEM (Scanning electron microscopy, FTIR (Fourier transform infrared spectroscopy), UV-Vis spectroscopy, LCR meter and CV (Cyclic voltammetry). The cubic structure of the nanoparticles confirmed by the XRD data, the increase in Ni dopant reduces the crystallite size. FTIR spectroscopy has been employed in order to analyze various functional groups. The agglomerated morphology of the particles has been observed by SEM images.. UV-Vis analysis reveals that the optical energy bandgap progressively rises with nickel doping, from 1.50 eV to 2.02 eV. The frequency range of 20 Hz to 20 MHz has been used for dielectric evaluation, where dielectric parameters such as AC conductivity, tan loss, and dielectric constant are examined. When the frequency of the applied AC field rises the AC conductivity increases, while the dielectric constant and tan loss constantly decrease. The pseudocapacitive behavior revealed by the CV curve showed that at high scan rates, specific capacitance values (Cs) are low, whereas at low scan rates, they are high. At the low scan rate of 10 mVs-1, the maximum specific capacitance of 244.4 Fg-1 has been attained at x = 0.75. Nickel doped cobalt ferrites electrodes have incredible electrochemical characteristics that make them a promising option for pseudo capacitor applications.

Keywords: lattice parameters, crystallite size, pseudo capacitor, band gap: magnetic material, energy band gap

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1014 Isolation and Screening of Laccase Producing Basidiomycetes via Submerged Fermentations

Authors: Mun Yee Chan, Sin Ming Goh, Lisa Gaik Ai Ong

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Approximately 10,000 different types of dyes and pigments are being used in various industrial applications yearly, which include the textile and printing industries. However, these dyes are difficult to degrade naturally once they enter the aquatic system. Their high persistency in natural environment poses a potential health hazard to all form of life. Hence, there is a need for alternative dye removal strategy in the environment via bioremediation. In this study, fungi laccase is investigated via commercial agar dyes plates and submerged fermentation to explore the application of fungi laccase in textile dye wastewater treatment. Two locally isolated basidiomycetes were screened for laccase activity using media added with commercial dyes such as 2, 2-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid (ABTS), guaiacol and Remazol Brillant Blue R (RBBR). Isolate TBB3 (1.70±0.06) and EL2 (1.78±0.08) gave the highest results for ABTS plates with the appearance of greenish halo on around the isolates. Submerged fermentation performed on Isolate TBB3 with the productivity 3.9067 U/ml/day, whereas the laccase activity for Isolate EL2 was much lower (0.2097 U/ml/day). As isolate TBB3 showed higher laccase production, it was subjected to molecular characterization by DNA isolation, PCR amplification and sequencing of ITS region of nuclear ribosomal DNA. After being compared with other sequences in National Center for Biotechnology Information (NCBI database), isolate TBB3 is probably from species Trametes hirsutei. Further research work can be performed on this isolate by upscale the production of laccase in order to meet the demands of the requirement for higher enzyme titer for the bioremediation of textile dyes.

Keywords: bioremediation, dyes, fermentation, laccase

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1013 Advanced Magnetic Resonance Imaging in Differentiation of Neurocysticercosis and Tuberculoma

Authors: Rajendra N. Ghosh, Paramjeet Singh, Niranjan Khandelwal, Sameer Vyas, Pratibha Singhi, Naveen Sankhyan

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Background: Tuberculoma and neurocysticercosis (NCC) are two most common intracranial infections in developing country. They often simulate on neuroimaging and in absence of typical imaging features cause significant diagnostic dilemmas. Differentiation is extremely important to avoid empirical exposure to antitubercular medications or nonspecific treatment causing disease progression. Purpose: Better characterization and differentiation of CNS tuberculoma and NCC by using morphological and multiple advanced functional MRI. Material and Methods: Total fifty untreated patients (20 tuberculoma and 30 NCC) were evaluated by using conventional and advanced sequences like CISS, SWI, DWI, DTI, Magnetization transfer (MT), T2Relaxometry (T2R), Perfusion and Spectroscopy. rCBV,ADC,FA,T2R,MTR values and metabolite ratios were calculated from lesion and normal parenchyma. Diagnosis was confirmed by typical biochemical, histopathological and imaging features. Results: CISS was most useful sequence for scolex detection (90% on CISS vs 73% on routine sequences). SWI showed higher scolex detection ability. Mean values of ADC, FA,T2R from core and rCBV from wall of lesion were significantly different in tuberculoma and NCC (P < 0.05). Mean values of rCBV, ADC, T2R and FA for tuberculoma and NCC were (3.36 vs1.3), (1.09x10⁻³vs 1.4x10⁻³), (0.13 x10⁻³ vs 0.09 x10⁻³) and (88.65 ms vs 272.3 ms) respectively. Tuberculomas showed high lipid peak, more choline and lower creatinine with Ch/Cr ratio > 1. T2R value was most significant parameter for differentiation. Cut off values for each significant parameters have proposed. Conclusion: Quantitative MRI in combination with conventional sequences can better characterize and differentiate similar appearing tuberculoma and NCC and may be incorporated in routine protocol which may avoid brain biopsy and empirical therapy.

Keywords: advanced functional MRI, differentiation, neurcysticercosis, tuberculoma

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1012 Effect of Surface Treatments on the Cohesive Response of Nylon 6/silica Interfaces

Authors: S. Arabnejad, D. W. C. Cheong, H. Chaobin, V. P. W. Shim

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Debonding is the one of the fundamental damage mechanisms in particle field composites. This phenomenon gains more importance in nano composites because of the extensive interfacial region present in these materials. Understanding the debonding mechanism accurately, can help in understanding and predicting the response of nano composites as the interface deteriorates. The small length scale of the phenomenon makes the experimental characterization complicated and the results of it, far from real physical behavior. In this study the damage process in nylon-6/silica interface is examined through Molecular Dynamics (MD) modeling and simulations. The silica has been modeled with three forms of surfaces – without any surface treatment, with the surface treatment of 3-aminopropyltriethoxysilane (APTES) and with Hexamethyldisilazane (HMDZ) surface treatment. The APTES surface modification used to create functional groups on the silica surface, reacts and form covalent bonds with nylon 6 chains while the HMDZ surface treatment only interacts with both particle and polymer by non-bond interaction. The MD model in this study uses a PCFF force field. The atomic model is generated in a periodic box with a layer of vacuum on top of the polymer layer. This layer of vacuum is large enough that assures us from not having any interaction between particle and substrate after debonding. Results show that each of these three models show a different traction separation behavior. However, all of them show an almost bilinear traction separation behavior. The study also reveals a strong correlation between the length of APTES surface treatment and the cohesive strength of the interface.

Keywords: debonding, surface treatment, cohesive response, separation behaviour

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1011 Co-Disposal of Coal Ash with Mine Tailings in Surface Paste Disposal Practices: A Gold Mining Case Study

Authors: M. L. Dinis, M. C. Vila, A. Fiúza, A. Futuro, C. Nunes

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The present paper describes the study of paste tailings prepared in laboratory using gold tailings, produced in a Finnish gold mine with the incorporation of coal ash. Natural leaching tests were conducted with the original materials (tailings, fly and bottom ashes) and also with paste mixtures that were prepared with different percentages of tailings and ashes. After leaching, the solid wastes were physically and chemically characterized and the results were compared to those selected as blank – the unleached samples. The tailings and the coal ash, as well as the prepared mixtures, were characterized, in addition to the textural parameters, by the following measurements: grain size distribution, chemical composition and pH. Mixtures were also tested in order to characterize their mechanical behavior by measuring the flexural strength, the compressive strength and the consistency. The original tailing samples presented an alkaline pH because during their processing they were previously submitted to pressure oxidation with destruction of the sulfides. Therefore, it was not possible to ascertain the effect of the coal ashes in the acid mine drainage. However, it was possible to verify that the paste reactivity was affected mostly by the bottom ash and that the tailings blended with bottom ash present lower mechanical strength than when blended with a combination of fly and bottom ash. Surface paste disposal offer an attractive alternative to traditional methods in addition to the environmental benefits of incorporating large-volume wastes (e.g. bottom ash). However, a comprehensive characterization of the paste mixtures is crucial to optimize paste design in order to enhance engineer and environmental properties.

Keywords: coal ash, mine tailings, paste blends, surface disposal

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1010 Evaluation of Newly Synthesized Steroid Derivatives Using In silico Molecular Descriptors and Chemometric Techniques

Authors: Milica Ž. Karadžić, Lidija R. Jevrić, Sanja Podunavac-Kuzmanović, Strahinja Z. Kovačević, Anamarija I. Mandić, Katarina Penov-Gaši, Andrea R. Nikolić, Aleksandar M. Oklješa

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This study considered selection of the in silico molecular descriptors and the models for newly synthesized steroid derivatives description and their characterization using chemometric techniques. Multiple linear regression (MLR) models were established and gave the best molecular descriptors for quantitative structure-retention relationship (QSRR) modeling of the retention of the investigated molecules. MLR models were without multicollinearity among the selected molecular descriptors according to the variance inflation factor (VIF) values. Used molecular descriptors were ranked using generalized pair correlation method (GPCM). In this method, the significant difference between independent variables can be noticed regardless almost equal correlation between dependent variable. Generated MLR models were statistically and cross-validated and the best models were kept. Models were ranked using sum of ranking differences (SRD) method. According to this method, the most consistent QSRR model can be found and similarity or dissimilarity between the models could be noticed. In this study, SRD was performed using average values of experimentally observed data as a golden standard. Chemometric analysis was conducted in order to characterize newly synthesized steroid derivatives for further investigation regarding their potential biological activity and further synthesis. This article is based upon work from COST Action (CM1105), supported by COST (European Cooperation in Science and Technology).

Keywords: generalized pair correlation method, molecular descriptors, regression analysis, steroids, sum of ranking differences

Procedia PDF Downloads 347