Search results for: photothermal deflection spectroscopy
1483 Biophysical and Structural Characterization of Transcription Factor Rv0047c of Mycobacterium Tuberculosis H37Rv
Authors: Md. Samsuddin Ansari, Ashish Arora
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Every year 10 million people fall ill with one of the oldest diseases known as tuberculosis, caused by Mycobacterium tuberculosis. The success of M. tuberculosis as a pathogen is because of its ability to persist in host tissues. Multidrug resistance (MDR) mycobacteria cases increase every day, which is associated with efflux pumps controlled at the level of transcription. The transcription regulators of MDR transporters in bacteria belong to one of the following four regulatory protein families: AraC, MarR, MerR, and TetR. Phenolic acid decarboxylase repressor (PadR), like a family of transcription regulators, is closely related to the MarR family. Phenolic acid decarboxylase repressor (PadR) was first identified as a transcription factor involved in the regulation of phenolic acid stress response in various microorganisms (including Mycobacterium tuberculosis H37Rv). Recently research has shown that the PadR family transcription factors are global, multifunction transcription regulators. Rv0047c is a PadR subfamily-1 protein. We are exploring the biophysical and structural characterization of Rv0047c. The Rv0047 gene was amplified by PCR using the primers containing EcoRI and HindIII restriction enzyme sites cloned in pET-NH6 vector and overexpressed in DH5α and BL21 (λDE3) cells of E. coli following purification with Ni2+-NTA column and size exclusion chromatography. We did DSC to know the thermal stability; the Tm (transition temperature) of protein is 55.29ºC, and ΔH (enthalpy change) of 6.92 kcal/mol. Circular dichroism to know the secondary structure and conformation and fluorescence spectroscopy for tertiary structure study of protein. To understand the effect of pH on the structure, function, and stability of Rv0047c we employed spectroscopy techniques such as circular dichroism, fluorescence, and absorbance measurements in a wide range of pH (from pH-2.0 to pH-12). At low and high pH, it shows drastic changes in the secondary and tertiary structure of the protein. EMSA studies showed the specific binding of Rv0047c with its own 30-bp promoter region. To determine the effect of complex formation on the secondary structure of Rv0047c, we examined the CD spectra of the complex of Rv0047c with promoter DNA of rv0047. The functional role of Rv0047c was characterized by over-expressing the Rv0047c gene under the control of hsp60 promoter in Mycobacterium tuberculosis H37Rv. We have predicted the three-dimensional structure of Rv0047c using the Swiss Model and Modeller, with validity checked by the Ramachandra plot. We did molecular docking of Rv0047c with dnaA, through PatchDock following refinement through FireDock. Through this, it is possible to easily identify the binding hot-stop of the receptor molecule with that of the ligand, the nature of the interface itself, and the conformational change undergone by the protein pattern. We are using X-crystallography to unravel the structure of Rv0047c. Overall the studies show that Rv0047c may have transcription regulation along with providing an insight into the activity of Rv0047c in the pH range of subcellular environment and helps to understand the protein-protein interaction, a novel target to kill dormant bacteria and potential strategy for tuberculosis control.Keywords: mycobacterium tuberculosis, phenolic acid decarboxylase repressor, Rv0047c, Circular dichroism, fluorescence spectroscopy, docking, protein-protein interaction
Procedia PDF Downloads 1211482 Ancient Egyptian Industry Technology of Canopic Jars, Analytical Study and Conservation Processes of Limestone Canopic Jar
Authors: Abd El Rahman Mohamed
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Canopic jars made by the ancient Egyptians from different materials were used to preserve the viscera during the mummification process. The canopic jar studied here dates back to the Late Period (712-332 BC). It is found in the Grand Egyptian Museum (GEM), Giza, Egypt. This jar was carved from limestone and covered with a monkey head lid with painted eyes and ears with red pigment and surrounded with black pigment. The jar contains bandages of textile containing mummy viscera with resin and black resin blocks. The canopic jars were made using the sculpting tools that were used by the ancient Egyptians, such as metal chisels (made of copper) and hammers and emptying the mass of the jar from the inside using a tool invented by the ancient Egyptians, which called the emptying drill. This study also aims to use analytical techniques to identify the components of the jar, its contents, pigments, and previous restoration materials and to understand its deterioration aspects. Visual assessment, isolation and identification of fungi, optical microscopy (OM), scanning electron microscopy (SEM), X-ray fluorescence spectroscopy (XRF), X-ray diffraction (XRD), and Fourier transform infrared spectroscopy (FTIR) were used in our study. The jar showed different signs of deterioration, such as dust, dirt, stains, scratches, classifications, missing parts, and breaks; previous conservation materials include using iron wire, completion mortar and an adhesive for assembly. The results revealed that the jar was carved from Dolomite Limestone, red Hematite pigment, Mastic resin, and Linen textile bandages. The previous adhesive was Animal Glue and used Gypsum for the previous completion. The most dominant Microbial infection on the jar was found in the fungi of (Penicillium waksmanii), (Nigrospora sphaerica), (Actinomycetes sp) and (Spore-Forming Gram-Positive Bacilli). Conservation procedures have been applied with high accuracy to conserve the jar, including mechanical and chemical cleaning, re-assembling, completion and consolidation.Keywords: Canopic jar, Consolidation, Mummification, Resin, Viscera.
Procedia PDF Downloads 721481 Micromechanical Compatibility Between Cells and Scaffold Mediates the Efficacy of Regenerative Medicine
Authors: Li Yang, Yang Song, Martin Y. M. Chiang
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Objective: To experimentally substantiate the micromechanical compatibility between cell and scaffold, in the regenerative medicine approach for restoring bone volume, is essential for phenotypic transitions Methods: Through nanotechnology and electrospinning process, nanofibrous scaffolds were fabricated to host dental follicle stem cells (DFSCs). Blends (50:50) of polycaprolactone (PCL) and silk fibroin (SF), mixed with various content of cellulose nanocrystals (CNC, up to 5% in weight), were electrospun to prepare nanofibrous scaffolds with heterogeneous microstructure in terms of fiber size. Colloidal probe atomic force microscopy (AFM) and conventional uniaxial tensile tests measured the scaffold stiffness at the micro-and macro-scale, respectively. The cell elastic modulus and cell-scaffold adhesive interaction (i.e., a chemical function) were examined through single-cell force spectroscopy using AFM. The quantitative reverse transcription-polymerase chain reaction (qRT-PCR) was used to determine if the mechanotransduction signal (i.e., Yap1, Wwr2, Rac1, MAPK8, Ptk2 and Wnt5a) is upregulated by the scaffold stiffness at the micro-scale (cellular scale). Results: The presence of CNC produces fibrous scaffolds with a bimodal distribution of fiber diameter. This structural heterogeneity, which is CNC-composition dependent, remarkably modulates the mechanical functionality of scaffolds at microscale and macroscale simultaneously, but not the chemical functionality (i.e., only a single material property is varied). In in vitro tests, the osteogenic differentiation and gene expression associated with mechano-sensitive cell markers correlate to the degree of micromechanical compatibility between DFSCs and the scaffold. Conclusion: Cells require compliant scaffolds to encourage energetically favorable interactions for mechanotransduction, which are converted into changes in cellular biochemistry to direct the phenotypic evolution. The micromechanical compatibility is indeed important to the efficacy of regenerative medicine.Keywords: phenotype transition, scaffold stiffness, electrospinning, cellulose nanocrystals, single-cell force spectroscopy
Procedia PDF Downloads 1911480 Photophysics of a Coumarin Molecule in Graphene Oxide Containing Reverse Micelle
Authors: Aloke Bapli, Debabrata Seth
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Graphene oxide (GO) is the two-dimensional (2D) nanoscale allotrope of carbon having several physiochemical properties such as high mechanical strength, high surface area, strong thermal and electrical conductivity makes it an important candidate in various modern applications such as drug delivery, supercapacitors, sensors etc. GO has been used in the photothermal treatment of cancers and Alzheimer’s disease etc. The main idea to choose GO in our work is that it is a surface active molecule, it has a large number of hydrophilic functional groups such as carboxylic acid, hydroxyl, epoxide on its surface and in basal plane. So it can easily interact with organic fluorophores through hydrogen bonding or any other kind of interaction and easily modulate the photophysics of the probe molecules. We have used different spectroscopic techniques for our work. The Ground-state absorption spectra and steady-state fluorescence emission spectra were measured by using UV-Vis spectrophotometer from Shimadzu (model-UV-2550) and spectrofluorometer from Horiba Jobin Yvon (model-Fluoromax 4P) respectively. All the fluorescence lifetime and anisotropy decays were collected by using time-correlated single photon counting (TCSPC) setup from Edinburgh instrument (model: LifeSpec-II, U.K.). Herein, we described the photophysics of a hydrophilic molecule 7-(n,n׀-diethylamino) coumarin-3-carboxylic acid (7-DCCA) in the reverse micelles containing GO. It was observed that photophysics of dye is modulated in the presence of GO compared to photophysics of dye in the absence of GO inside the reverse micelles. Here we have reported the solvent relaxation and rotational relaxation time in GO containing reverse micelle and compare our work with normal reverse micelle system by using 7-DCCA molecule. Normal reverse micelle means reverse micelle in the absence of GO. The absorption maxima of 7-DCCA were blue shifted and emission maxima were red shifted in GO containing reverse micelle compared to normal reverse micelle. The rotational relaxation time in GO containing reverse micelle is always faster compare to normal reverse micelle. Solvent relaxation time, at lower w₀ values, is always slower in GO containing reverse micelle compare to normal reverse micelle and at higher w₀ solvent relaxation time of GO containing reverse micelle becomes almost equal to normal reverse micelle. Here emission maximum of 7-DCCA exhibit bathochromic shift in GO containing reverse micelles compared to that in normal reverse micelles because in presence of GO the polarity of the system increases, as polarity increases the emission maxima was red shifted an average decay time of GO containing reverse micelle is less than that of the normal reverse micelle. In GO containing reverse micelle quantum yield, decay time, rotational relaxation time, solvent relaxation time at λₑₓ=375 nm is always higher than λₑₓ=405 nm, shows the excitation wavelength dependent photophysics of 7-DCCA in GO containing reverse micelles.Keywords: photophysics, reverse micelle, rotational relaxation, solvent relaxation
Procedia PDF Downloads 1571479 Nanoparticle Supported, Magnetically Separable Metalloporphyrin as an Efficient Retrievable Heterogeneous Nanocatalyst in Oxidation Reactions
Authors: Anahita Mortazavi Manesh, Mojtaba Bagherzadeh
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Metalloporphyrins are well known to mimic the activity of monooxygenase enzymes. In this regard, metalloporphyrin complexes have been largely employed as valuable biomimetic catalysts, owing to the critical roles they play in oxygen transfer processes in catalytic oxidation reactions. Investigating in this area is based on different strategies to design selective, stable and high turnover catalytic systems. Immobilization of expensive metalloporphyrin catalysts onto supports appears to be a good way to improve their stability, selectivity and the catalytic performance because of the support environment and other advantages with respect to recovery, reuse. In other words, supporting metalloporphyrins provides a physical separation of active sites, thus minimizing catalyst self-destruction and dimerization of unhindered metalloporphyrins. Furthermore, heterogeneous catalytic oxidations have become an important target since their process are used in industry, helping to minimize the problems of industrial waste treatment. Hence, the immobilization of these biomimetic catalysts is much desired. An attractive approach is the preparation of the heterogeneous catalyst involves immobilization of complexes on silica coated magnetic nano-particles. Fe3O4@SiO2 magnetic nanoparticles have been studied extensively due to their superparamagnetism property, large surface area to volume ratio and easy functionalization. Using heterogenized homogeneous catalysts is an attractive option to facile separation of catalyst, simplified product work-up and continuity of catalytic system. Homogeneous catalysts immobilized on magnetic nanoparticles (MNPs) surface occupy a unique position due to combining the advantages of both homogeneous and heterogeneous catalysts. In addition, superparamagnetic nature of MNPs enable very simple separation of the immobilized catalysts from the reaction mixture using an external magnet. In the present work, an efficient heterogeneous catalyst was prepared by immobilizing manganese porphyrin on functionalized magnetic nanoparticles through the amino propyl linkage. The prepared catalyst was characterized by elemental analysis, FT-IR spectroscopy, X-ray powder diffraction, atomic absorption spectroscopy, UV-Vis spectroscopy, and scanning electron microscopy. Application of immobilized metalloporphyrin in the oxidation of various organic substrates was explored using Gas chromatographic (GC) analyses. The results showed that the supported Mn-porphyrin catalyst (Fe3O4@SiO2-NH2@MnPor) is an efficient and reusable catalyst in oxidation reactions. Our catalytic system exhibits high catalytic activity in terms of turnover number (TON) and reaction conditions. Leaching and recycling experiments revealed that nanocatalyst can be recovered several times without loss of activity and magnetic properties. The most important advantage of this heterogenized catalytic system is the simplicity of the catalyst separation in which the catalyst can be separated from the reaction mixture by applying a magnet. Furthermore, the separation and reuse of the magnetic Fe3O4 nanoparticles were very effective and economical.Keywords: Fe3O4 nanoparticle, immobilized metalloporphyrin, magnetically separable nanocatalyst, oxidation reactions
Procedia PDF Downloads 3001478 Influence of Sodium Acetate on Electroless Ni-P Deposits and Effect of Heat Treatment on Corrosion Behavior
Authors: Y. El Kaissi, M. Allam, A. Koulou, M. Galai, M. Ebn Touhami
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The aim of our work is to develop an industrial bath of nickel alloy deposit on mild steel. The optimization of the operating parameters made it possible to obtain a stable Ni-P alloy deposition formulation. To understand the reaction mechanism of the deposition process, a kinetic study was performed by cyclic voltammetry and by electrochemical impedance spectroscopy (EIS). The coatings obtained have a very high corrosion resistance in a very aggressive acid medium which increases with the heat treatment.Keywords: cyclic voltammetry, EIS, electroless Ni–P coating, heat treatment, potentiodynamic polarization
Procedia PDF Downloads 3031477 Experimental and Computational Analysis of Glass Fiber Reinforced Plastic Beams with Piezoelectric Fibers
Authors: Selin Kunc, Srinivas Koushik Gundimeda, John A. Gallagher, Roselita Fragoudakis
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This study investigates the behavior of Glass Fiber Reinforced Plastic (GFRP) laminated beams additionally reinforced with piezoelectric fibers. The electromechanical behavior of piezoelectric materials coupled with high strength/low weight GFRP laminated beams can have significant application in a wide range of industries. Energy scavenging through mechanical vibrations is the focus of this study, and possible applications can be seen in the automotive industry. This study examines the behavior of such composite laminates using Classical Lamination Theory (CLT) under three-point bending conditions. Fiber orientation is optimized for the desired stiffness and deflection that yield maximum energy output. Finite element models using ABAQUS/CAE are verified through experimental testing. The optimum stacking sequences examined are [0o]s, [ 0/45o]s, and [45/-45o]s. Results show the superiority of the stacking sequence [0/45o]s, providing higher strength at a lower weight, and maximum energy output. Furthermore, laminated GFRP beams additionally reinforced with piezoelectric fibers can be used under bending to not only replace metallic component while providing similar strength at a lower weight but also provide an energy output.Keywords: classical lamination theory (CLT), energy scavenging, glass fiber reinforced plastics (GFRP), piezoelectric fibers
Procedia PDF Downloads 3071476 Green Corrosion Inhibitor from Essential Oil of Linseed for Aluminum in Na2CO3 Solution
Authors: L. Bazzi, E. Azzouyahar, A. Lamiri, M. Essahli
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Effect of addition of linseed oil (LSO) on the corrosion of aluminium in 0.1 M Na2CO3 has been studied by weight loss measurements, potentiodynamic polarization and Electrochemical Impedance Spectroscopy (EIS) measurements. The inhibition efficiency was found to increase with inhibitor content to attain 70% for LSO at 4g/L. Inhibition efficiency E (%) obtained from the various methods is in good agreement. The temperature effect on the corrosion behavior of aluminium was studied by potentiodynamic technique in the range from 298 to 308 K.Keywords: aluminum, corrosion, green inhibitors, carbonate, linseed oil
Procedia PDF Downloads 3601475 Facile Surfactant-Assisted Green Synthesis of Stable Biogenic Gold Nanoparticles with Potential Antibacterial Activity
Authors: Sneha Singh, Abhimanyu Dev, Vinod Nigam
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The major issue which decides the impending use of gold nanoparticles (AuNPs) in nanobiotechnological applications is their particle size and stability. Often the AuNPs obtained biomimetically are considered useless owing to their instability in the aqueous medium and thereby limiting the widespread acceptance of this facile green synthesis procedure. So, the use of nontoxic surfactants is warranted to stabilize the biogenic nanoparticles (NPs). But does the surfactant only play a role in stabilizing by being adsorbed to the NPs surface or can it have any other significant contribution in synthesis process and controlling their size as well as shape? Keeping this idea in mind, AuNPs were synthesized by using surfactant treated (lechate) and untreated (cell lysate supernatant) Bacillus licheniformis cell extract. The cell extracts mediated reduction of chloroauric acid (HAuCl 4) in the presence of non-ionic surfactant, Tween 20 (TW20), and its effect on the AuNPs stability was studied. Interestingly, the surfactant used in the study served as potential alternative to harvest cellular enzymes involved in bioreduction process in a hassle free condition. The surfactants ability to solubilize/leach membrane proteins and simultaneously stabilizing the AuNPs could have advantage from process point of view as it will reduce the time and economics involve in the nanofabrication of biogenic NPs. The synthesis was substantiated with UV-Vis spectroscopy, Dynamic light scattering study, FTIR spectroscopy, and Transmission electron microscopy. The Zeta potential of AuNPs solutions was measured routinely to corroborate the stability observations recorded visually. Highly stable, ultra-small AuNPs of 2.6 nm size were obtained from the study. Further, the biological efficacy of the obtained AuNPs as potential antibacterial agent was evaluated against Bacilllus subtilis, Pseudomonas aeruginosa, and Escherichia coli by observing the zone of inhibition. This potential of AuNPs of size < 3 nm as antibacterial agent could pave way for development of new antimicrobials and overcoming the problems of antibiotics resistanceKeywords: antibacterial, bioreduction, nanoparticles, surfactant
Procedia PDF Downloads 2361474 Structural and Optical Study of Cu doped ZnS Thin Films Nanocrystalline by Chemical Bath Deposition Method
Authors: Hamid Merzouk, D. T. Talantikite, H. Haddad, Amel Tounsi
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ZnS is an important II-VI binary compound with large band-gap energy at room temperature. We present in this work preparation and characterization of ZnS and Cu doped ZnS thin films. The depositions are performed by a simple chemical bath deposition route. Structural properties are carried out by X-ray diffraction (XRD) and scanning electron microscopy (SEM). Optical transmittance is investigated by the UV-visible spectroscopy at room temperature.Keywords: chemical, bath, method, Cu, doped, ZnS, thin, films
Procedia PDF Downloads 5551473 Electrochemical Impedance Spectroscopy Based Label-Free Detection of TSG101 by Electric Field Lysis of Immobilized Exosomes from Human Serum
Authors: Nusrat Praween, Krishna Thej Pammi Guru, Palash Kumar Basu
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Designing non-invasive biosensors for cancer diagnosis is essential for developing an affordable and specific tool to measure cancer-related exosome biomarkers. Exosomes, released by healthy as well as cancer cells, contain valuable information about the biomarkers of various diseases, including cancer. Despite the availability of various isolation techniques, ultracentrifugation is the standard technique that is being employed. Post isolation, exosomes are traditionally exposed to detergents for extracting their proteins, which can often lead to protein degradation. Further to this, it is very essential to develop a sensing platform for the quantification of clinically relevant proteins in a wider range to ensure practicality. In this study, exosomes were immobilized on the Au Screen Printed Electrode (SPE) using EDC/NHS chemistry to facilitate binding. After immobilizing the exosomes on the screen-printed electrode (SPE), we investigated the impact of the electric field by applying various voltages to induce exosome lysis and release their contents. The lysed solution was used for sensing TSG101, a crucial biomarker associated with various cancers, using both faradaic and non-faradaic electrochemical impedance spectroscopy (EIS) methods. The results of non-faradaic and faradaic EIS were comparable and showed good consistency, indicating that non-faradaic sensing can be a reliable alternative. Hence, the non-faradaic sensing technique was used for label-free quantification of the TSG101 biomarker. The results were validated using ELISA. Our electrochemical immunosensor demonstrated a consistent response of TSG101 from 125 pg/mL to 8000 pg/mL, with a detection limit of 0.125 pg/mL at room temperature. Additionally, since non-faradic sensing is label-free, the ease of usage and cost of the final sensor developed can be reduced. The proposed immunosensor is capable of detecting the TSG101 protein at low levels in healthy serum with good sensitivity and specificity, making it a promising platform for biomarker detection.Keywords: biosensor, exosomes isolation on SPE, electric field lysis of exosome, EIS sensing of TSG101
Procedia PDF Downloads 511472 A Micro-Scale of Electromechanical System Micro-Sensor Resonator Based on UNO-Microcontroller for Low Magnetic Field Detection
Authors: Waddah Abdelbagi Talha, Mohammed Abdullah Elmaleeh, John Ojur Dennis
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This paper focuses on the simulation and implementation of a resonator micro-sensor for low magnetic field sensing based on a U-shaped cantilever and piezoresistive configuration, which works based on Lorentz force physical phenomena. The resonance frequency is an important parameter that depends upon the highest response and sensitivity through the frequency domain (frequency response) of any vibrated micro-scale of an electromechanical system (MEMS) device. And it is important to determine the direction of the detected magnetic field. The deflection of the cantilever is considered for vibrated mode with different frequencies in the range of (0 Hz to 7000 Hz); for the purpose of observing the frequency response. A simple electronic circuit-based polysilicon piezoresistors in Wheatstone's bridge configuration are used to transduce the response of the cantilever to electrical measurements at various voltages. Microcontroller-based Arduino program and PROTEUS electronic software are used to analyze the output signals from the sensor. The highest output voltage amplitude of about 4.7 mV is spotted at about 3 kHz of the frequency domain, indicating the highest sensitivity, which can be called resonant sensitivity. Based on the resonant frequency value, the mode of vibration is determined (up-down vibration), and based on that, the vector of the magnetic field is also determined.Keywords: resonant frequency, sensitivity, Wheatstone bridge, UNO-microcontroller
Procedia PDF Downloads 1281471 Synthesis, Characterization and Biological Properties of Half-Sandwich Complexes of Ruthenium(II), Rhodium(II) and Iridium(III)
Authors: A. Gilewska, J. Masternak, K. Kazimierczuk, L. Turlej, J. Wietrzyk, B. Barszcz
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Platinum-based drugs are now widely used as chemotherapeutic agents. However the platinum complexes show the toxic side-effects: i) the development of platinum resistance; ii) the occurrence of severe side effects, such as nephro-, neuro- and ototoxicity; iii) the high toxicity towards human fibroblast. Therefore the development of new anticancer drugs containing different transition-metal ions, for example, ruthenium, rhodium, iridium is a valid strategy in cancer treatment. In this paper, we reported the synthesis, spectroscopic, structural and biological properties of complexes of ruthenium, rhodium, and iridium containing N,N-chelating ligand (2,2’-bisimidazole). These complexes were characterized by elemental analysis, UV-Vis and IR spectroscopy, X-ray diffraction analysis. These complexes exhibit a typical pseudotetrahedral three-legged piano-stool geometry, in which the aromatic arene ring forms the seat of the piano-stool, while the bidentate 2,2’-bisimidazole (ligand) and the one chlorido ligand form the three legs of the stool. The spectroscopy data (IR, UV-Vis) and elemental analysis correlate very well with molecular structures. Moreover, the cytotoxic activity of the complexes was carried out on human cancer cell lines: LoVo (colorectal adenoma), MV-4-11 (myelomonocytic leukaemia), MCF-7 (breast adenocarcinoma) and normal healthy mouse fibroblast BALB/3T3 cell lines. To predict a binding mode, a potential interaction of metal complexes with calf thymus DNA (CT-DNA) and protein (BSA) has been explored using UV absorption and circular dichroism (CD). It is interesting to note that the investigated complexes show no cytotoxic effect towards the normal BALB/3T3 cell line, compared to cisplatin, which IC₅₀ values was determined as 2.20 µM. Importantly, Ru(II) displayed the highest activity against HL-60 (IC₅₀ 4.35 µM). The biological studies (UV-Vis and circular dichroism) suggest that arene-complexes could interact with calf thymus DNA probably via an outside binding mode and interact with protein (BSA).Keywords: ruthenium(II) complex, rhodium(III) complex, iridium(III) complex, biological activity
Procedia PDF Downloads 1371470 Rapid, Automated Characterization of Microplastics Using Laser Direct Infrared Imaging and Spectroscopy
Authors: Andreas Kerstan, Darren Robey, Wesam Alvan, David Troiani
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Over the last 3.5 years, Quantum Cascade Lasers (QCL) technology has become increasingly important in infrared (IR) microscopy. The advantages over fourier transform infrared (FTIR) are that large areas of a few square centimeters can be measured in minutes and that the light intensive QCL makes it possible to obtain spectra with excellent S/N, even with just one scan. A firmly established solution of the laser direct infrared imaging (LDIR) 8700 is the analysis of microplastics. The presence of microplastics in the environment, drinking water, and food chains is gaining significant public interest. To study their presence, rapid and reliable characterization of microplastic particles is essential. Significant technical hurdles in microplastic analysis stem from the sheer number of particles to be analyzed in each sample. Total particle counts of several thousand are common in environmental samples, while well-treated bottled drinking water may contain relatively few. While visual microscopy has been used extensively, it is prone to operator error and bias and is limited to particles larger than 300 µm. As a result, vibrational spectroscopic techniques such as Raman and FTIR microscopy have become more popular, however, they are time-consuming. There is a demand for rapid and highly automated techniques to measure particle count size and provide high-quality polymer identification. Analysis directly on the filter that often forms the last stage in sample preparation is highly desirable as, by removing a sample preparation step it can both improve laboratory efficiency and decrease opportunities for error. Recent advances in infrared micro-spectroscopy combining a QCL with scanning optics have created a new paradigm, LDIR. It offers improved speed of analysis as well as high levels of automation. Its mode of operation, however, requires an IR reflective background, and this has, to date, limited the ability to perform direct “on-filter” analysis. This study explores the potential to combine the filter with an infrared reflective surface filter. By combining an IR reflective material or coating on a filter membrane with advanced image analysis and detection algorithms, it is demonstrated that such filters can indeed be used in this way. Vibrational spectroscopic techniques play a vital role in the investigation and understanding of microplastics in the environment and food chain. While vibrational spectroscopy is widely deployed, improvements and novel innovations in these techniques that can increase the speed of analysis and ease of use can provide pathways to higher testing rates and, hence, improved understanding of the impacts of microplastics in the environment. Due to its capability to measure large areas in minutes, its speed, degree of automation and excellent S/N, the LDIR could also implemented for various other samples like food adulteration, coatings, laminates, fabrics, textiles and tissues. This presentation will highlight a few of them and focus on the benefits of the LDIR vs classical techniques.Keywords: QCL, automation, microplastics, tissues, infrared, speed
Procedia PDF Downloads 671469 Material and Parameter Analysis of the PolyJet Process for Mold Making Using Design of Experiments
Authors: A. Kampker, K. Kreisköther, C. Reinders
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Since additive manufacturing technologies constantly advance, the use of this technology in mold making seems reasonable. Many manufacturers of additive manufacturing machines, however, do not offer any suggestions on how to parameterize the machine to achieve optimal results for mold making. The purpose of this research is to determine the interdependencies of different materials and parameters within the PolyJet process by using design of experiments (DoE), to additively manufacture molds, e.g. for thermoforming and injection molding applications. Therefore, the general requirements of thermoforming molds, such as heat resistance, surface quality and hardness, have been identified. Then, different materials and parameters of the PolyJet process, such as the orientation of the printed part, the layer thickness, the printing mode (matte or glossy), the distance between printed parts and the scaling of parts, have been examined. The multifactorial analysis covers the following properties of the printed samples: Tensile strength, tensile modulus, bending strength, elongation at break, surface quality, heat deflection temperature and surface hardness. The key objective of this research is that by joining the results from the DoE with the requirements of the mold making, optimal and tailored molds can be additively manufactured with the PolyJet process. These additively manufactured molds can then be used in prototyping processes, in process testing and in small to medium batch production.Keywords: additive manufacturing, design of experiments, mold making, PolyJet, 3D-Printing
Procedia PDF Downloads 2561468 Simulation of Performance of LaBr₃ (Ce) Using GEANT4
Authors: Zarana Dave
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Cerium-doped lanthanum bromide, LaBr₃ (Ce), scintillator shows attracting properties for spectroscopy that makes it a suitable solution for security, medical, geophysics and high energy physics applications. Here, the performance parameters of a cylindrical LaBr₃ (Ce) scintillator was investigated. The first aspect is the determination of the efficiency for γ - ray detection, measured with GEANT4 simulation toolkit from 10keV to 10MeV energy range. The second is the detailed study of background radiation of LaBr₃ (Ce). It has relatively high intrinsic radiation background due to naturally occurring ¹³⁸La and ²²⁷Ac radioisotopes.Keywords: LaBr₃(Ce), GEANT4, efficiency, background radiation
Procedia PDF Downloads 2231467 The Amount of Information Processing and Balance Performance in Children: The Dual-Task Paradigm
Authors: Chin-Chih Chiou, Tai-Yuan Su, Ti-Yu Chen, Wen-Yu Chiu, Chungyu Chen
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The purpose of this study was to investigate the effect of reaction time (RT) or balance performance as the number of stimulus-response choices increases, the amount of information processing of 0-bit and 1-bit conditions based on Hick’s law, using the dual-task design. Eighteen children (age: 9.38 ± 0.27 years old) were recruited as the participants for this study, and asked to assess RT and balance performance separately and simultaneously as following five conditions: simple RT (0-bit decision), choice RT (1-bit decision), single balance control, balance control with simple RT, and balance control with choice RT. Biodex 950-300 balance system and You-Shang response timer were used to record and analyze the postural stability and information processing speed (RT) respectively for the participants. Repeated measures one-way ANOVA with HSD post-hoc test and 2 (balance) × 2 (amount of information processing) repeated measures two-way ANOVA were used to test the parameters of balance performance and RT (α = .05). The results showed the overall stability index in the 1-bit decision was lower than in 0-bit decision, and the mean deflection in the 1-bit decision was lower than in single balance performance. Simple RTs were faster than choice RTs both in single task condition and dual task condition. It indicated that the chronometric approach of RT could use to infer the attention requirement of the secondary task. However, this study did not find that the balance performance is interfered for children by the increasing of the amount of information processing.Keywords: capacity theory, reaction time, Hick’s law, balance
Procedia PDF Downloads 4531466 Supersonic Flow around a Dihedral Airfoil: Modeling and Experimentation Investigation
Authors: A. Naamane, M. Hasnaoui
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Numerical modeling of fluid flows, whether compressible or incompressible, laminar or turbulent presents a considerable contribution in the scientific and industrial fields. However, the development of an approximate model of a supersonic flow requires the introduction of specific and more precise techniques and methods. For this purpose, the object of this paper is modeling a supersonic flow of inviscid fluid around a dihedral airfoil. Based on the thin airfoils theory and the non-dimensional stationary Steichen equation of a two-dimensional supersonic flow in isentropic evolution, we obtained a solution for the downstream velocity potential of the oblique shock at the second order of relative thickness that characterizes a perturbation parameter. This result has been dealt with by the asymptotic analysis and characteristics method. In order to validate our model, the results are discussed in comparison with theoretical and experimental results. Indeed, firstly, the comparison of the results of our model has shown that they are quantitatively acceptable compared to the existing theoretical results. Finally, an experimental study was conducted using the AF300 supersonic wind tunnel. In this experiment, we have considered the incident upstream Mach number over a symmetrical dihedral airfoil wing. The comparison of the different Mach number downstream results of our model with those of the existing theoretical data (relative margin between 0.07% and 4%) and with experimental results (concordance for a deflection angle between 1° and 11°) support the validation of our model with accuracy.Keywords: asymptotic modelling, dihedral airfoil, supersonic flow, supersonic wind tunnel
Procedia PDF Downloads 1361465 Determination of the Structural Parameters of Calcium Phosphate for Biomedical Use
Authors: María Magdalena Méndez-González, Miguel García Rocha, Carlos Manuel Yermo De la Cruz
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Calcium phosphate (Ca5(PO4)3(X)) is widely used in orthopedic applications and is widely used as powder and granules. However, their presence in bone is in the form of nanometric needles 60 nm in length with a non-stoichiometric phase of apatite contains CO3-2, Na+, OH-, F-, and other ions in a matrix of collagen fibers. The crystal size, morphology control and interaction with cells are essential for the development of nanotechnology. The structural results of calcium phosphate, synthesized by chemical precipitation with crystal size of 22.85 nm are presented in this paper. The calcium phosphate powders were analyzed by X-ray diffraction, energy dispersive spectroscopy (EDS), infrared spectroscopy and FT-IR transmission electron microscopy. Network parameters, atomic positions, the indexing of the planes and the calculation of FWHM (full width at half maximum) were obtained. The crystal size was also calculated using the Scherer equation d (hkl) = cλ/βcosѲ. Where c is a constant related to the shape of the crystal, the wavelength of the radiation used for a copper anode is 1.54060Å, Ѳ is the Bragg diffraction angle, and β is the width average peak height of greater intensity. Diffraction pattern corresponding to the calcium phosphate called hydroxyapatite phase of a hexagonal crystal system was obtained. It belongs to the space group P63m with lattice parameters a = 9.4394 Å and c = 6.8861 Å. The most intense peak is obtained 2Ѳ = 31.55 (FWHM = 0.4798), with a preferred orientation in 121. The intensity difference between the experimental data and the calculated values is attributable to the temperature at which the sintering was performed. The intensity of the highest peak is at angle 2Ѳ = 32.11. The structure of calcium phosphate obtained was a hexagonal configuration. The intensity changes in the peaks of the diffraction pattern, in the lattice parameters at the corners, indicating the possible presence of a dopant. That each calcium atom is surrounded by a tetrahedron of oxygen and hydrogen was observed by infrared spectra. The unit cell pattern corresponds to hydroxyapatite and transmission electron microscopic crystal morphology corresponding to the hexagonal phase with a preferential growth along the c-plane was obtained.Keywords: structure, nanoparticles, calcium phosphate, metallurgical and materials engineering
Procedia PDF Downloads 5061464 Refinement of Thermal and Mechanical Properties of Poly (Lactic Acid)/Poly (Ethylene-Co-Glycidyle Methacrylate)/ Hexagonal Boron Nitride Blend-Composites through Electron-Beam Irradiation
Authors: Ashish Kumar, T. Venkatappa Rao, Subhendu Ray Chowdhury, S. V. S. Ramana Reddy
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The main objective of this work is to determine the influence of electron beam irradiation on thermal and mechanical properties of Poly (lactic acid) (PLA)/Poly (ethylene-co-glycidyle methacrylate) (PEGM)/Hexagonal boron nitride (HBN) blend-composites. To reduce the brittleness and improve the toughness of PLA, the PLA/PEGM blend is prepared by using twin-screw Micro compounder. However, the heat deflection temperature (HDT) and other tensile properties were reduced. The HBN has been incorporated into the PLA/PEGM blend as part per hundred i.e. 5 phr and 10phr to improve the HDT. The prepared specimens of blend and blend-composites were irradiated to high energy (4.5 MeV) electron beam (E-beam) at different radiation doses to introduce the cross linking among the polymer chains and uniform dispersion of HBN particles in the PLA/PEGM/HBN blend-composites. The further improvement in the notched impact strength and HDT have been achieved in the case of PLA/PEGM/HBN blend-composites. The irradiated PLA/PEGM/HBN 5phr blend composite shows high notched impact strength and HDT as compared to other unirradiated and E-beam irradiated blend and blend-composites. The improvements in the yield strength and tensile modulus have also been noticed in the case of E-beam irradiated PLA/PEGM/HBN blend-composites as compared to unirradiated blend-composites.Keywords: blend-composite, e-beam, HDT, PEGM, PLA
Procedia PDF Downloads 1881463 Comparative Study of Impedance Parameters for 42CrMo4 Steel Nitrided and Exposed at Electrochemical Corrosion
Authors: M. H. Belahssen, S. Benramache
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This paper presents corrosion behavior of alloy 42CrMo4 steel nitrided by plasma. Different samples nitrided were tested. The corrosion behavior was evaluated by electrochemical impedance spectroscopy and the tests were carried out in acid chloride solution 1M. The best corrosion protection was observed for nitrided samples. The aim of this work is to compare equivalents circuits corresponding to Nyquist curves simulated and experimental and select who gives best results of impedance parameters with lowest error.Keywords: pasma nitriding, steel, alloy 42CrMo4, elecrochemistry, corrosion behavior
Procedia PDF Downloads 3741462 Eu+3 Ion as a Luminescent Probe in ZrO2: Gd+3 Co-Doped Nanophosphor
Authors: S. Manjunatha, M. S. Dharmaprakash
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Well-defined 2D Eu+3 co-doped ZrO2: Gd+3 nanoparticles were successfully synthesized by microwave assisted solution combustion technique for luminescent applications. The present investigation reports the rapid and effective method for the synthesis of the Eu+3 co-doped ZrO2:Gd+3 nanoparticles and study of the luminescence behavior of Eu+3 ion in ZrO2:Gd+3 nanostructures. The optical properties of the prepared nanostructures were investigated by using UV-visible spectroscopy and photoluminescence spectra. The phase formation and the morphology of the nanoplatelets were studied by XRD, FESEM and HRTEM. The average grain size was found to be 45-50 nm. The presence of Gd3+ ion increases the crystallinity of the material and hence acts as a good nucleating agent. The ZrO2:Gd3+ co-doped with Eu+3 nanoplatelets gives an emission at 607 nm, a strong red emission under the excitation wavelength of 255 nm.Keywords: nanoparticles, XRD, TEM, photoluminescence
Procedia PDF Downloads 3211461 Experimental Investigations on Group Interaction Effects of Laterally Loaded Piles in Submerged Sand
Authors: Jasaswini Mishra, Ashim K. Dey
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This paper aims to investigate the group interaction effects of laterally loaded pile groups driven into a medium dense sand layer in submerged state. Static lateral load tests were carried out on pile groups consisting of varying number of piles and at different spacings. The test setup consists of a load cell (500 kg capacity) and an LVDT (50 mm) to measure the load and pile head deflection respectively. The piles were extensively instrumented with strain gauges so as to study the variation of soil resistance within the group. The bending moments at various depths were calculated from strain gauge data and these curves were fitted using a higher order polynomial in order to get 'p-y' curves. A comparative study between a single pile and a pile under a group has also been done for a better understanding of the group effect. It is observed that average load per pile is significantly reduced relative to single pile and it decreases with increase in the number of piles in a pile group. The loss of efficiency of the piles in the group, commonly referred to as "shadowing" effect, has been expressed by the use of a 'p-multiplier'. Leading rows carries greater amount of load when compared with the trailing rows. The variations of bending moment with depth for different rows of pile within a group and different spacing have been analyzed and compared with that of a single pile. p multipliers within different rows in a pile group were evaluated from the experimental study.Keywords: group action, laterally loaded piles, p-multiplier, strain gauge
Procedia PDF Downloads 2421460 Quantification of Dowel-Concrete Interaction in Jointed Plain Concrete Pavements Using 3D Numerical Simulation
Authors: Lakshmana Ravi Raj Gali, K. Sridhar Reddy, M. Amaranatha Reddy
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Load transfer between adjacent slabs of the jointed plain concrete pavement (JPCP) system is inevitable for long-lasting performance. Dowel bars are generally used to ensure sufficient degree of load transfer, in addition to the load transferred by aggregate interlock mechanism at the joints. Joint efficiency is the measure of joint quality, a major concern and therefore the dowel bar system should be designed and constructed well. The interaction between dowel bars and concrete that includes various parameters of dowel bar and concrete will explain the degree of joint efficiency. The present study focuses on the methodology of selecting contact stiffness, which quantifies dowel-concrete interaction. In addition, a parametric study which focuses on the effect of dowel diameter, dowel shape, the spacing between dowel bars, joint opening, the thickness of the slab, the elastic modulus of concrete, and concrete cover on contact stiffness was also performed. The results indicated that the thickness of the slab is most critical among various parameters to explain the joint efficiency. Further displacement equivalency method was proposed to find out the contact stiffness. The proposed methodology was validated with the available field surface deflection data collected by falling weight deflectometer (FWD).Keywords: contact stiffness, displacement equivalency method, Dowel-concrete interaction, joint behavior, 3D numerical simulation
Procedia PDF Downloads 1521459 Structure-Reactivity Relationship of Some Rhᴵᴵᴵ and Osᴵᴵᴵ Complexes with N-Inert Ligands in Ionic Liquids
Authors: Jovana Bogojeski, Dusan Cocic, Nenad Jankovic, Angelina Petrovic
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Kinetically-inert transition metal complexes, such as Rh(III) and Os(III) complexes, attract increasing attention as leading scaffolds for the development of potential pharmacological agents due to their inertness and stability. Therefore, we have designed and fully characterized a few novel rhodium(III) and osmium(III) complexes with a tridentate nitrogen−donor chelate system. For some complexes, the crystal X-ray structure analysis was performed. Reactivity of the newly synthesized complexes towards small biomolecules, such as L-methionine (L-Met), guanosine-5’-monophosphate (5’-GMP), and glutathione (GSH) has been examined. Also, the reactivity of these complexes towards the DNA/RNA (Ribonucleic acid) duplexes was investigated. Obtained results show that the newly synthesized complexes exhibit good affinity towards the studied ligands. Results also show that the complexes react faster with the RNA duplex than with the DNA and that in the DNA duplex reaction is faster with 15mer GG than with the 22mer GG. The UV-Vis (Ultraviolet-visible spectroscopy) is absorption spectroscopy, and the EB (Ethidium bromide) displacement studies were used to examine the interaction of these complexes with CT-DNA and BSA (Bovine serum albumin). All studied complex showed good interaction ability with both the DNA and BSA. Furthermore, the DFT (Density-functional theory) calculation and docking studies were performed. The impact of the metal complex on the cytotoxicity was tested by MTT assay (a colorimetric assay for assessing cell metabolic activity) on HCT-116 lines (human colon cancer cell line). In addition, all these tests were repeated in the presence of several water-soluble biologically active ionic liquids. Attained results indicate that the ionic liquids increase the activity of the investigated complexes. All obtained results in this study imply that the introduction of different spectator ligand can be used to improve the reactivity of rhodium(III) and osmium(III) complexes. Finally, these results indicate that the examined complexes show reactivity characteristics needed for potential anti-tumor agents, with possible targets being both the DNA and proteins. Every new contribution in this field is highly warranted due to the current lack of clinically used Metallo-based alternatives to cisplatin.Keywords: biomolecules, ionic liquids, osmium(III), rhodium(III)
Procedia PDF Downloads 1521458 Numerical Analysis of the Aging Effects of RC Shear Walls Repaired by CFRP Sheets: Application of CEB-FIP MC 90 Model
Authors: Yeghnem Redha, Guerroudj Hicham Zakaria, Hanifi Hachemi Amar Lemiya, Meftah Sid Ahmed, Tounsi Abdelouahed, Adda Bedia El Abbas
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Creep deformation of concrete is often responsible for excessive deflection at service loads which can compromise the performance of elements within a structure. Although laboratory test may be undertaken to determine the deformation properties of concrete, these are time-consuming, often expensive and generally not a practical option. Therefore, relatively simple empirically design code models are relied to predict the creep strain. This paper reviews the accuracy of creep and shrinkage predictions of reinforced concrete (RC) shear walls structures strengthened with carbon fibre reinforced polymer (CFRP) sheets, which is characterized by a widthwise varying fibre volume fraction. This review is yielded by CEB-FIB MC90 model. The time-dependent behavior was investigated to analyze their static behavior. In the numerical formulation, the adherents and the adhesives are all modelled as shear wall elements, using the mixed finite element method. Several tests were used to dem¬onstrate the accuracy and effectiveness of the proposed method. Numerical results from the present analysis are presented to illustrate the significance of the time-dependency of the lateral displacements.Keywords: RC shear walls strengthened, CFRP sheets, creep and shrinkage, CEB-FIP MC90 model, finite element method, static behavior
Procedia PDF Downloads 3101457 Improved Visible Light Activities for Degrading Pollutants on ZnO-TiO2 Nanocomposites Decorated with C and Fe Nanoparticles
Authors: Yuvraj S. Malghe, Atul B. Lavand
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In recent years, semiconductor photocatalytic degradation processes have attracted a lot of attention and are used widely for the destruction of organic pollutants present in waste water. Among various semiconductors, titanium dioxide (TiO2) is the most popular photocatalyst due to its excellent chemical stability, non-toxicity, relatively low cost and high photo-oxidation power. It has been known that zinc oxide (ZnO) with band gap energy 3.2 eV is a suitable alternative to TiO2 due to its high quantum efficiency, however it corrodes in acidic medium. Unfortunately TiO2 and ZnO both are active only in UV light due to their wide band gaps. Sunlight consist about 5-7% UV light, 46% visible light and 47% infrared radiation. In order to utilize major portion of sunlight (visible spectrum), it is necessary to modify the band gap of TiO2 as well as ZnO. This can be done by several ways such as semiconductor coupling, doping the material with metals/non metals. Doping of TiO2 using transition metals like Fe, Co and non-metals such as N, C or S extends its absorption wavelengths from UV to visible region. In the present work, we have synthesized ZnO-TiO2 nanocomposite using reverse microemulsion method. Visible light photocatalytic activity of synthesized nanocomposite was investigated for degradation of aqueous solution of malachite green (MG). To increase the photocatalytic activity of ZnO-TiO2 nanocomposite, it is decorated with C and Fe. Pure, carbon (C) doped and carbon, iron(C, Fe) co-doped nanosized ZnO-TiO2 nanocomposites were synthesized using reverse microemulsion method. These composites were characterized using, X-ray diffraction (XRD), Energy dispersive X-ray spectroscopy (EDX), Scanning electron microscopy (SEM), UV visible spectrophotometery and X-ray photoelectron spectroscopy (XPS). Visible light photocatalytic activities of synthesized nanocomposites were investigated for degradation of aqueous malachite green (MG) solution. C, Fe co-doped ZnO-TiO2 nanocomposite exhibit better photocatalytic activity and showed threefold increase in photocatalytic activity. Effect of amount of catalyst, pH and concentration of MG solution on the photodegradation rate is studied. Stability and reusability of photocatalyst is also studied. C, Fe decorated ZnO-TiO2 nanocomposite shows threefold increase in photocatalytic activity.Keywords: malachite green, nanocomposite, photocatalysis, titanium dioxide, zinc oxide
Procedia PDF Downloads 2841456 Valorization Bio-Waste Argan Pulp for Green Synthesis of Silver Nanoparticles
Authors: Omar Drissi, Nadia El Harfaoui, Khalid Nouneh, Rachid Hsissou, Badre Daoudi
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The pulp endures of having a lower importance, incompletely because of the way that it has been less studied, and it has been recognized as a pivotal product got from biomass that can be utilized in different fields. The current research focuses on pulp of Argania spinosa (L). To this end, the aim is to study the characteristics and properties of Argan pulp, such as shape, chemical and macromineral composition. As a result, X-Ray Fluorescence (XRF), Fourier transform infrared spectroscopy (FTIR), and Scanning Electron Microscopy (SEM) were used in the research.Keywords: argania spinose, argan pulp, argan bio-waste, green synthesis, silver nanoparticles, valorization
Procedia PDF Downloads 1221455 Transition Metal Bis(Dicarbollide) Complexes in Design of Molecular Switches
Authors: Igor B. Sivaev
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Design of molecular machines is an extraordinary growing and very important area of research that it was recognized by awarding Sauvage, Stoddart and Feringa the Nobel Prize in Chemistry in 2016 'for the design and synthesis of molecular machines'. Based on the type of motion being performed, molecular machines can be divided into two main types: molecular motors and molecular switches. Molecular switches are molecules or supramolecular complexes having bistability, i.e., the ability to exist in two or more stable forms, among which may be reversible transitions under external influence (heating, lighting, changing the medium acidity, the action of chemicals, exposure to magnetic or electric field). Molecular switches are the main structural element of any molecular electronics devices. Therefore, the design and the study of molecules and supramolecular systems capable of performing mechanical movement is an important and urgent problem of modern chemistry. There is growing interest in molecular switches and other devices of molecular electronics based on transition metal complexes; therefore choice of suitable stable organometallic unit is of great importance. An example of such unit is bis(dicarbollide) complexes of transition metals [3,3’-M(1,2-C₂B₉H₁₁)₂]ⁿ⁻. The control on the ligand rotation in such complexes can be reached by introducing substituents which could provide stabilization of certain rotamers due to specific interactions between the ligands, on the one hand, and which can participate as Lewis bases in complex formation with external metals resulting in a change in the rotation angle of the ligands, on the other hand. A series of isomeric methyl sulfide derivatives of cobalt bis(dicarbollide) complexes containing methyl sulfide substituents at boron atoms in different positions of the pentagonal face of the dicarbollide ligands [8,8’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻, rac-[4,4’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻ and meso-[4,7’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻ were synthesized by the reaction of CoCl₂ with the corresponding methyl sulfide carborane derivatives [10-MeS-7,8-C₂B₉H₁₁)₂]⁻ and [10-MeS-7,8-C₂B₉H₁₁)₂]⁻. In the case of asymmetrically substituted cobalt bis(dicarbollide) complexes the corresponding rac- and meso-isomers were successfully separated by column chromatography as the tetrabutylammonium salts. The compounds obtained were studied by the methods of ¹H, ¹³C, and ¹¹B NMR spectroscopy, single crystal X-ray diffraction, cyclic voltammetry, controlled potential coulometry and quantum chemical calculations. It was found that in the solid state, the transoid- and gauche-conformations of the 8,8’- and 4,4’-isomers are stabilized by four intramolecular CH···S(Me)B hydrogen bonds each one (2.683-2.712 Å and 2.709-2.752 Å, respectively), whereas gauche-conformation of the 4,7’-isomer is stabilized by two intramolecular CH···S hydrogen bonds (2.699-2.711 Å). The existence of the intramolecular CH·S(Me)B hydrogen bonding in solutions was supported by the 1H NMR spectroscopy. These data are in a good agreement with results of the quantum chemical calculations. The corresponding iron and nickel complexes were synthesized as well. The reaction of the methyl sulfide derivatives of cobalt bis(dicarbollide) with various labile transition metal complexes results in rupture of intramolecular hydrogen bonds and complexation of the methyl sulfide groups with external metal. This results in stabilization of other rotational conformation of cobalt bis(dicarbollide) and can be used in design of molecular switches. This work was supported by the Russian Science Foundation (16-13-10331).Keywords: molecular switches, NMR spectroscopy, single crystal X-ray diffraction, transition metal bis(dicarbollide) complexes, quantum chemical calculations
Procedia PDF Downloads 1731454 Behavior of Composite Construction Precast Reactive Powder RC Girder and Ordinary RC Deck Slab
Authors: Nameer A. Alwash, Dunia A. Abd AlRadha, Arshed M. Aljanaby
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This study present an experimental investigation of composite behavior for hybrid reinforced concrete slab on girder from locale material in Iraq, ordinary concrete, NC, in slab and reactive powder concrete in girder ,RPC, with steel fibers of different types(straight, hook, and mix between its), tested as simply supported span subjected under two point loading, also study effects on overall behavior such as the ultimate load, crack width and deflection. The result shows that the most suitable for production girder from RPC by using 2% micro straight steel fiber, in terms of ultimate strength and min crack width. Also the results shows that using RPC in girder of composite section increased ultimate load by 79% when compared with same section made of NC, and increased the shear strength which erased the effect of changing reinforcement in shear, and using RPC in girder and epoxy (in shear transfer between composite section) (meaning no stirrups) equivalent presence of shear reinforcement by 90% when compared with same section using Φ8@100 as shear reinforcement. And the result shows that changing the cross section girder shape of the composite section to inverted T, with same section area, increased the ultimate load by 5% when compared with same section of rectangular shape girder.Keywords: reactive powder concrete, RPC, hybrid concrete, composite section, RC girder, RC slab, shear connecters, inverted T section, shear reinforcment, shear span over effective depth
Procedia PDF Downloads 362