Search results for: single crystal
4865 Maximum-likelihood Inference of Multi-Finger Movements Using Neural Activities
Authors: Kyung-Jin You, Kiwon Rhee, Marc H. Schieber, Nitish V. Thakor, Hyun-Chool Shin
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It remains unknown whether M1 neurons encode multi-finger movements independently or as a certain neural network of single finger movements although multi-finger movements are physically a combination of single finger movements. We present an evidence of correlation between single and multi-finger movements and also attempt a challenging task of semi-blind decoding of neural data with minimum training of the neural decoder. Data were collected from 115 task-related neurons in M1 of a trained rhesus monkey performing flexion and extension of each finger and the wrist (12 single and 6 two-finger-movements). By exploiting correlation of temporal firing pattern between movements, we found that correlation coefficient for physically related movements pairs is greater than others; neurons tuned to single finger movements increased their firing rate when multi-finger commands were instructed. According to this knowledge, neural semi-blind decoding is done by choosing the greatest and the second greatest likelihood for canonical candidates. We achieved a decoding accuracy about 60% for multiple finger movement without corresponding training data set. this results suggest that only with the neural activities on single finger movements can be exploited to control dexterous multi-fingered neuroprosthetics.Keywords: finger movement, neural activity, blind decoding, M1
Procedia PDF Downloads 3204864 Proposed Design of an Optimized Transient Cavity Picosecond Ultraviolet Laser
Authors: Marilou Cadatal-Raduban, Minh Hong Pham, Duong Van Pham, Tu Nguyen Xuan, Mui Viet Luong, Kohei Yamanoi, Toshihiko Shimizu, Nobuhiko Sarukura, Hung Dai Nguyen
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There is a great deal of interest in developing all-solid-state tunable ultrashort pulsed lasers emitting in the ultraviolet (UV) region for applications such as micromachining, investigation of charge carrier relaxation in conductors, and probing of ultrafast chemical processes. However, direct short-pulse generation is not as straight forward in solid-state gain media as it is for near-IR tunable solid-state lasers such as Ti:sapphire due to the difficulty of obtaining continuous wave laser operation, which is required for Kerr lens mode-locking schemes utilizing spatial or temporal Kerr type nonlinearity. In this work, the transient cavity method, which was reported to generate ultrashort laser pulses in dye lasers, is extended to a solid-state gain medium. Ce:LiCAF was chosen among the rare-earth-doped fluoride laser crystals emitting in the UV region because of its broad tunability (from 280 to 325 nm) and enough bandwidth to generate 3-fs pulses, sufficiently large effective gain cross section (6.0 x10⁻¹⁸ cm²) favorable for oscillators, and a high saturation fluence (115 mJ/cm²). Numerical simulations are performed to investigate the spectro-temporal evolution of the broadband UV laser emission from Ce:LiCAF, represented as a system of two homogeneous broadened singlet states, by solving the rate equations extended to multiple wavelengths. The goal is to find the appropriate cavity length and Q-factor to achieve the optimal photon cavity decay time and pumping energy for resonator transients that will lead to ps UV laser emission from a Ce:LiCAF crystal pumped by the fourth harmonics (266nm) of a Nd:YAG laser. Results show that a single ps pulse can be generated from a 1-mm, 1 mol% Ce³⁺-doped LiCAF crystal using an output coupler with 10% reflectivity (low-Q) and an oscillator cavity that is 2-mm long (short cavity). This technique can be extended to other fluoride-based solid-state laser gain media.Keywords: rare-earth-doped fluoride gain medium, transient cavity, ultrashort laser, ultraviolet laser
Procedia PDF Downloads 3574863 Influence of Single Source Irradiation on the Homogeneous Alignment of Liquid Crystals Molecules on Glass Substrates
Authors: Sarah Akhtar, Rizwan Mahmood
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A detailed study of homogeneous alignment of liquid crystal molecules on a glass substrate will be presented. Thin films of polyimide were coated on several glass substrates. Various methods were employed to prepare coated surfaces to achieve desired alignment; these include traditionally rubbing the surface with a felt cloth then exposing them perpendicular to the easy axis with incandescent light (IL), linearly polarized ultraviolet (LPUVR) and un-polarized ultraviolet (UPUVR) radiation. The quality of the alignment was tested by measuring the tilt angle in the temperature range between 30°C to 55°C. Regression analysis of the data using ‘SigmaPlot’ suggests a gradual increase in tilt angle (1.1°-1.8°) for the rubbed, 0.6° to 3.6° increase for the rubbed plus IL radiated and 1.6° to 4.6° for the rubbed plus UPUVL radiated samples, respectively. However to our surprise, we found tilt angle to be decreasing from 2.4° to 1.6° for the rubbed plus LPUVL radiated samples. We hope that these findings will be helpful in the fabrication of display panels and other electro-optic devices.Keywords: homogeneous, liquid crystals, polyimide, tilt angle
Procedia PDF Downloads 1184862 Synthesis and Characterization of Novel Hollow Silica Particle through DODAB Vesicle Templating
Authors: Eun Ju Park, Wendy Rusli, He Tao, Alexander M. Van Herk, Sanggu Kim
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Hollow micro-/nano- structured materials have proven to be promising in wide range of applications, such as catalysis, drug delivery and controlled release, biotechnology, and personal and consumer care. Hollow sphere structures can be obtained through various templating approaches; colloid templates, emulsion templates, multi-surfactant templates, and single crystal templates. Vesicles are generally the self-directed assemblies of amphiphilic molecules including cationic, anionic, and cationic surfactants in aqueous solutions. The directed silica capsule formations were performed at the surface of dioctadecyldimethylammoniumbromide(DODAB) bilayer vesicles as soft template. The size of DODAB bilayer vesicles could be tuned by extrusion of a preheated dispersion of DODAB. The synthesized hollow silica particles were characterized by conventional TEM, cryo-TEM and SEM to determine the morphology and structure of particles and dynamic light scattering (DLS) method to measure the particle size and particle size distribution.Keywords: characterization, DODAB, hollow silica particle, synthesis, vesicle
Procedia PDF Downloads 3074861 Preparation, Characterisation and Electrical Properties of Metal/polymer-DNA Nanohybrids
Authors: Mahdi Almaky
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Conducting polymer of N-(3-pyrrol-1-yl-propyl)-2,2`-bipyridinium hexafluoro-phosphate (PPBH) was prepared via chemical and electrochemical polymerization methods. The bulk polymer showed conductivity in the order of 10-12 S cm-1. DNA-templated polymer nano wires of PPBH (PolyPPBH-DNA) have been chemically prepared then used as templates to direct the formation of metal nanowires (Cu) in order to enhance the electrical properties of the polymer/DNA wires. The chemical structures, morphology and the electrical characterisation of the as obtained structures have been characterized through spectroscopic (FTIR, UV-vis and XPS), single-crystal X-ray diffraction and microscopic (AFM, EFM and c-AFM) techniques. The morphology of the nanomaterials has been observed by AFM; showing the nanowires are uniform and continuous. The polymer conductivity was slightly improved after metallization. The conductivity of Cu-PolyPPBH-DNA nanowires was estimated to be 7.1x10-2 S cm-1. This conductivity is slightly higher than the conductivity of PolyPPBH-DNA nano wires (2.0 x 10-2 S cm-1), but it is lower than the measurements for PPy/DNA nano wires (2.1 x 10-1 S cm-1) prepared and measured by using c-AFM probe. These results reflect the large effect of the chemical structure (N-substitution) on the electrical properties of these polymers by reducing the extended conjugation.Keywords: DNA, template, nano wires, N-Alkylatedpyrrole, copper
Procedia PDF Downloads 4224860 Comparison between LQR and ANN Active Anti-Roll Control of a Single Unit Heavy Vehicle
Authors: Babesse Saad, Ameddah Djemeleddine
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In this paper, a learning algorithm using neuronal networks to improve the roll stability and prevent the rollover in a single unit heavy vehicle is proposed. First, LQR control to keep balanced normalized rollovers, between front and rear axles, below the unity, then a data collected from this controller is used as a training basis of a neuronal regulator. The ANN controller is thereafter applied for the nonlinear side force model, and gives satisfactory results than the LQR one.Keywords: rollover, single unit heavy vehicle, neural networks, nonlinear side force
Procedia PDF Downloads 4744859 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 1724858 MPC of Single Phase Inverter for PV System
Authors: Irtaza M. Syed, Kaamran Raahemifar
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This paper presents a model predictive control (MPC) of a utility interactive (UI) single phase inverter (SPI) for a photovoltaic (PV) system at residential/distribution level. The proposed model uses single-phase phase locked loop (PLL) to synchronize SPI with the grid and performs MPC control in a dq reference frame. SPI model consists of boost converter (BC), maximum power point tracking (MPPT) control, and a full bridge (FB) voltage source inverter (VSI). No PI regulators to tune and carrier and modulating waves are required to produce switching sequence. Instead, the operational model of VSI is used to synthesize sinusoidal current and track the reference. Model is validated using a three kW PV system at the input of UI-SPI in Matlab/Simulink. Implementation and results demonstrate simplicity and accuracy, as well as reliability of the model.Keywords: phase locked loop, voltage source inverter, single phase inverter, model predictive control, Matlab/Simulink
Procedia PDF Downloads 5324857 Crystal Nucleation in 3D Printed Polymer Scaffolds in Tissue Engineering
Authors: Amani Alotaibi
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3D printing has emerged as a pivotal technique for scaffold development, particularly in the field of bone tissue regeneration, due to its ability to customize scaffolds to fit complex geometries of bone defects. Among the various methods available, fused deposition modeling (FDM) is particularly promising as it avoids the use of solvents or toxic chemicals during fabrication. This study investigates the effects of three key parameters, extrusion temperature, screw rotational speed, and deposition speed, on the crystallization and mechanical properties of polycaprolactone (PCL) scaffolds. Three extrusion temperatures (70°C, 80°C, and 90°C), three screw speeds (10 RPM, 15 RPM, and 20 RPM), and three deposition speeds (8 mm/s, 10 mm/s, and 12 mm/s) were evaluated. The scaffolds were characterized using X-ray diffraction (XRD), differential scanning calorimetry (DSC), and tensile testing to assess changes in crystallinity and mechanical properties. Additionally, the scaffolds were analyzed for crystal size and biocompatibility. The results demonstrated that increasing the extrusion temperature to 80°C, combined with a screw speed of 15 RPM and a deposition speed of 10 mm/s, significantly improved the crystallinity, compressive modulus, and thermal resistance of the PCL scaffolds. These findings suggest that by fine-tuning basic 3D printing parameters, it is possible to modulate the structural and mechanical properties of the scaffold, thereby enhancing its suitability for bone tissue regeneration.Keywords: 3D printing, polymer, scaffolds, tissue engineering, crystallization
Procedia PDF Downloads 24856 Impact of Vehicle Travel Characteristics on Level of Service: A Comparative Analysis of Rural and Urban Freeways
Authors: Anwaar Ahmed, Muhammad Bilal Khurshid, Samuel Labi
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The effect of trucks on the level of service is determined by considering passenger car equivalents (PCE) of trucks. The current version of Highway Capacity Manual (HCM) uses a single PCE value for all tucks combined. However, the composition of truck traffic varies from location to location; therefore a single PCE-value for all trucks may not correctly represent the impact of truck traffic at specific locations. Consequently, present study developed separate PCE values for single-unit and combination trucks to replace the single value provided in the HCM on different freeways. Site specific PCE values, were developed using concept of spatial lagging headways (the distance from the rear bumper of a leading vehicle to the rear bumper of the following vehicle) measured from field traffic data. The study used data from four locations on a single urban freeway and three different rural freeways in Indiana. Three-stage-least-squares (3SLS) regression techniques were used to generate models that predicted lagging headways for passenger cars, single unit trucks (SUT), and combination trucks (CT). The estimated PCE values for single-unit and combination truck for basic urban freeways (level terrain) were: 1.35 and 1.60, respectively. For rural freeways the estimated PCE values for single-unit and combination truck were: 1.30 and 1.45, respectively. As expected, traffic variables such as vehicle flow rates and speed have significant impacts on vehicle headways. Study results revealed that the use of separate PCE values for different truck classes can have significant influence on the LOS estimation.Keywords: level of service, capacity analysis, lagging headway, trucks
Procedia PDF Downloads 3554855 Numerical Design and Characterization of MOVPE Grown Nitride Based Semiconductors
Authors: J. Skibinski, P. Caban, T. Wejrzanowski, K. J. Kurzydlowski
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In the present study numerical simulations of epitaxial growth of gallium nitride in Metal Organic Vapor Phase Epitaxy reactor AIX-200/4RF-S are addressed. The aim of this study was to design the optimal fluid flow and thermal conditions for obtaining the most homogeneous product. Since there are many agents influencing reactions on the crystal growth area such as temperature, pressure, gas flow or reactor geometry, it is difficult to design optimal process. Variations of process pressure and hydrogen mass flow rates have been considered. According to the fact that it’s impossible to determine experimentally the exact distribution of heat and mass transfer inside the reactor during crystal growth, detailed 3D modeling has been used to get an insight of the process conditions. Numerical simulations allow to understand the epitaxial process by calculation of heat and mass transfer distribution during growth of gallium nitride. Including chemical reactions in the numerical model allows to calculate the growth rate of the substrate. The present approach has been applied to enhance the performance of AIX-200/4RF-S reactor.Keywords: computational fluid dynamics, finite volume method, epitaxial growth, gallium nitride
Procedia PDF Downloads 4544854 Synchrotron Based Techniques for the Characterization of Chemical Vapour Deposition Overgrowth Diamond Layers on High Pressure, High Temperature Substrates
Authors: T. N. Tran Thi, J. Morse, C. Detlefs, P. K. Cook, C. Yıldırım, A. C. Jakobsen, T. Zhou, J. Hartwig, V. Zurbig, D. Caliste, B. Fernandez, D. Eon, O. Loto, M. L. Hicks, A. Pakpour-Tabrizi, J. Baruchel
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The ability to grow boron-doped diamond epilayers of high crystalline quality is a prerequisite for the fabrication of diamond power electronic devices, in particular high voltage diodes and metal-oxide-semiconductor (MOS) transistors. Boron and intrinsic diamond layers are homoepitaxially overgrown by microwave assisted chemical vapour deposition (MWCVD) on single crystal high pressure, high temperature (HPHT) grown bulk diamond substrates. Various epilayer thicknesses were grown, with dopant concentrations ranging from 1021 atom/cm³ at nanometer thickness in the case of 'delta doping', up 1016 atom/cm³ and 50µm thickness or high electric field drift regions. The crystalline quality of these overgrown layers as regards defects, strain, distortion… is critical for the device performance through its relation to the final electrical properties (Hall mobility, breakdown voltage...). In addition to the optimization of the epilayer growth conditions in the MWCVD reactor, other important questions related to the crystalline quality of the overgrown layer(s) are: 1) what is the dependence on the bulk quality and surface preparation methods of the HPHT diamond substrate? 2) how do defects already present in the substrate crystal propagate into the overgrown layer; 3) what types of new defects are created during overgrowth, what are their growth mechanisms, and how can these defects be avoided? 4) how can we relate in a quantitative manner parameters related to the measured crystalline quality of the boron doped layer to the electronic properties of final processed devices? We describe synchrotron-based techniques developed to address these questions. These techniques allow the visualization of local defects and crystal distortion which complements the data obtained by other well-established analysis methods such as AFM, SIMS, Hall conductivity…. We have used Grazing Incidence X-ray Diffraction (GIXRD) at the ID01 beamline of the ESRF to study lattice parameters and damage (strain, tilt and mosaic spread) both in diamond substrate near surface layers and in thick (10–50 µm) overgrown boron doped diamond epi-layers. Micro- and nano-section topography have been carried out at both the BM05 and ID06-ESRF) beamlines using rocking curve imaging techniques to study defects which have propagated from the substrate into the overgrown layer(s) and their influence on final electronic device performance. These studies were performed using various commercially sourced HPHT grown diamond substrates, with the MWCVD overgrowth carried out at the Fraunhofer IAF-Germany. The synchrotron results are in good agreement with low-temperature (5°K) cathodoluminescence spectroscopy carried out on the grown samples using an Inspect F5O FESEM fitted with an IHR spectrometer.Keywords: synchrotron X-ray diffaction, crystalline quality, defects, diamond overgrowth, rocking curve imaging
Procedia PDF Downloads 2614853 Formal Sector Employment, Economic Capital and Human Capacity Development: Voices of Single Mothers from South Africa and Germany
Authors: Tanusha Raniga, Michael Boecker, Maud Mthembu
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This paper considers the formal employment sector, human capacity development and economic capital of single-mother households’ as they strive to sustain livelihoods. This paper advances empirical data in the field of economic and social development policy. The correlation between educational level, human capacity development and economic self-reliance of single-mother households is considered. This paper presents empirical evidence obtained from qualitative in-depth interviews conducted with twenty-five single mothers who were working in the formal work sector in Hagen, Germany and two provinces, namely KwaZulu-Natal and Gauteng in South Africa. This is an underexplored research area as most of the international literature focuses on pathology and victimhood related to single-mother households. Instead, this paper presents the biographic profiles and discusses two key themes that emerged from the data analysis namely; formal and informal streams of income enhanced human capital development through access to further education and training opportunities. The women perceived these themes as facilitating factors which helped them sustain their households. The paper presents some suggestions for policymakers and social work practitioners to consider to improve support systems and avoid economic exclusion of single mothers who work within the first economy.Keywords: single mothers, formal work sector, economic capital, human capital
Procedia PDF Downloads 1494852 3D Stereoscopic Measurements from AR Drone Squadron
Authors: R. Schurig, T. Désesquelles, A. Dumont, E. Lefranc, A. Lux
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A cost-efficient alternative is proposed to the use of a single drone carrying multiple cameras in order to take stereoscopic images and videos during its flight. Such drone has to be particularly large enough to take off with its equipment, and stable enough in order to make valid measurements. Corresponding performance for a single aircraft usually comes with a large cost. Proposed solution consists in using multiple smaller and cheaper aircrafts carrying one camera each instead of a single expensive one. To give a proof of concept, AR drones, quad-rotor UAVs from Parrot Inc., are experimentally used.Keywords: drone squadron, flight control, rotorcraft, Unmanned Aerial Vehicle (UAV), AR drone, stereoscopic vision
Procedia PDF Downloads 4724851 First-Principles Study of Inter-Cage Interactions in Inorganic Molecular Crystals
Authors: Abdul Majid, Alia Jabeen, Nimra Zulifqar
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The inorganic molecular crystal (IMCs) due to their unusual structure has grabbed a lot of attention due to anisotropy in crystal structure. The IMCs consist of the molecular structures joined together via weak forces. Therefore, a difference between the bonding between the inter-cage and intra-cage interactions exists. To look closely at the bonding and interactions, we investigated interactions between two cages of Sb2O3 structure. The interactions were characterized via Extended Transition State-Natural Orbital for Chemical Valence-method (ETS-NOCV), Natural Bond Orbitals (NBO) and Quantum Theory of Atoms in Molecules (QTAIM). The results revealed strong intra-cage covalent bonding while weak van der Waals (vdWs) interactions along inter-cages exits. This structure cannot be termed as layered material although they have anisotropy in bonding and presence of weak vdWs interactions but its bulk is termed as inorganic layered clusters. This is due to the fact that the free standing sheet/films with these materials are not possible. This type of structures may be the most feasible to be used for the system to deal with high pressures and stress bearing materials.Keywords: inorganic molecular crystals, density functional theory, cages, interactions
Procedia PDF Downloads 934850 Predicting and Obtaining New Solvates of Curcumin, Demethoxycurcumin and Bisdemethoxycurcumin Based on the Ccdc Statistical Tools and Hansen Solubility Parameters
Authors: J. Ticona Chambi, E. A. De Almeida, C. A. Andrade Raymundo Gaiotto, A. M. Do Espírito Santo, L. Infantes, S. L. Cuffini
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The solubility of active pharmaceutical ingredients (APIs) is challenging for the pharmaceutical industry. The new multicomponent crystalline forms as cocrystal and solvates present an opportunity to improve the solubility of APIs. Commonly, the procedure to obtain multicomponent crystalline forms of a drug starts by screening the drug molecule with the different coformers/solvents. However, it is necessary to develop methods to obtain multicomponent forms in an efficient way and with the least possible environmental impact. The Hansen Solubility Parameters (HSPs) is considered a tool to obtain theoretical knowledge of the solubility of the target compound in the chosen solvent. H-Bond Propensity (HBP), Molecular Complementarity (MC), Coordination Values (CV) are tools used for statistical prediction of cocrystals developed by the Cambridge Crystallographic Data Center (CCDC). The HSPs and the CCDC tools are based on inter- and intra-molecular interactions. The curcumin (Cur), target molecule, is commonly used as an anti‐inflammatory. The demethoxycurcumin (Demcur) and bisdemethoxycurcumin (Bisdcur) are natural analogues of Cur from turmeric. Those target molecules have differences in their solubilities. In this way, the work aimed to analyze and compare different tools for multicomponent forms prediction (solvates) of Cur, Demcur and Biscur. The HSP values were calculated for Cur, Demcur, and Biscur using the chemical group contribution methods and the statistical optimization from experimental data. The HSPmol software was used. From the HSPs of the target molecules and fifty solvents (listed in the HSP books), the relative energy difference (RED) was determined. The probability of the target molecules would be interacting with the solvent molecule was determined using the CCDC tools. A dataset of fifty molecules of different organic solvents was ranked for each prediction method and by a consensus ranking of different combinations: HSP, CV, HBP and MC values. Based on the prediction, 15 solvents were selected as Dimethyl Sulfoxide (DMSO), Tetrahydrofuran (THF), Acetonitrile (ACN), 1,4-Dioxane (DOX) and others. In a starting analysis, the slow evaporation technique from 50°C at room temperature and 4°C was used to obtain solvates. The single crystals were collected by using a Bruker D8 Venture diffractometer, detector Photon100. The data processing and crystal structure determination were performed using APEX3 and Olex2-1.5 software. According to the results, the HSPs (theoretical and optimized) and the Hansen solubility sphere for Cur, Demcur and Biscur were obtained. With respect to prediction analyses, a way to evaluate the predicting method was through the ranking and the consensus ranking position of solvates already reported in the literature. It was observed that the combination of HSP-CV obtained the best results when compared to the other methods. Furthermore, as a result of solvent selected, six new solvates, Cur-DOX, Cur-DMSO, Bicur-DOX, Bircur-THF, Demcur-DOX, Demcur-ACN and a new Biscur hydrate, were obtained. Crystal structures were determined for Cur-DOX, Biscur-DOX, Demcur-DOX and Bicur-Water. Moreover, the unit-cell parameter information for Cur-DMSO, Biscur-THF and Demcur-ACN were obtained. The preliminary results showed that the prediction method is showing a promising strategy to evaluate the possibility of forming multicomponent. It is currently working on obtaining multicomponent single crystals.Keywords: curcumin, HSPs, prediction, solvates, solubility
Procedia PDF Downloads 634849 A New and Simple Method of Plotting Binocular Single Vision Field (BSVF) using the Cervical Range of Motion - CROM - Device
Authors: Mihir Kothari, Heena Khan, Vivek Rathod
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Assessment of binocular single vision field (BSVF) is traditionally done using a Goldmann perimeter. The measurement of BSVF is important for the management of incomitant strabismus, viz. orbital fractures, thyroid orbitopathy, oculomotor cranial nerve palsies, Duane syndrome etc. In this paper, we describe a new technique for measuring BSVF using a CROM device. Goldmann perimeter is very bulky and expensive (Euro 5000.00 or more) instrument which is 'almost' obsolete from the contemporary ophthalmology practice. Whereas, CROM can be easily made in the DIY (do it yourself) manner for the fraction of the price of the perimeter (only Euro 15.00). Moreover, CROM is useful for the accurate measurement of ocular torticollis vis. nystagmus, paralytic or incomitant squint etc, and it is highly portable.Keywords: binocular single vision, perimetry, cervical rgen of motion, visual field, binocular single vision field
Procedia PDF Downloads 664848 BingleSeq: A User-Friendly R Package for Single-Cell RNA-Seq Data Analysis
Authors: Quan Gu, Daniel Dimitrov
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BingleSeq was developed as a shiny-based, intuitive, and comprehensive application that enables the analysis of single-Cell RNA-Sequencing count data. This was achieved via incorporating three state-of-the-art software packages for each type of RNA sequencing analysis, alongside functional annotation analysis and a way to assess the overlap of differential expression method results. At its current state, the functionality implemented within BingleSeq is comparable to that of other applications, also developed with the purpose of lowering the entry requirements to RNA Sequencing analyses. BingleSeq is available on GitHub and will be submitted to R/Bioconductor.Keywords: bioinformatics, functional annotation analysis, single-cell RNA-sequencing, transcriptomics
Procedia PDF Downloads 2044847 Joule Self-Heating Effects and Controlling Oxygen Vacancy in La₀.₈Ba₀.₂MnO₃ Ultrathin Films with Nano-Sized Labyrinth Morphology
Authors: Guankai Lin, Wei Tong, Hong Zhu
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The electric current induced Joule heating effects have been investigated in La₀.₈Ba₀.₂MnO₃ ultrathin films deposited on LaAlO₃(001) single crystal substrate with smaller lattice constant by using the sol-gel method. By applying moderate bias currents (~ 10 mA), it is found that Joule self-heating simply gives rise to a temperature deviation between the thermostat and the test sample, but the intrinsic ρ(T) relationship measured at a low current (0.1 mA) changes little. However, it is noteworthy that the low-temperature transport behavior degrades from metallic to insulating state after applying higher bias currents ( > 31 mA) in a vacuum. Furthermore, metallic transport can be recovered by placing the degraded film in air. The results clearly suggest that the oxygen vacancy in the La₀.₈Ba₀.₂MnO₃ films is controllable in different atmospheres, particularly with the aid of the Joule self-heating. According to the SEM images, we attribute the controlled oxygen vacancy to the nano-sized labyrinth pattern of the films, where the large surface-to-volume ratio plays a curial role.Keywords: controlling oxygen vacancy, joule self-heating, manganite, sol-gel method
Procedia PDF Downloads 1534846 Synthesis and Study of Structural, Morphological, and Electrochemical Properties of Ceria co-doped for SOFC Applications
Authors: Fatima Melit, Nedjemeddine Bounar
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Polycrystalline samples of Ce1-xMxO2-δ (x=0.1, 0.15, 0.2)(M=Gd, Y) were prepared by solid-state chemical reaction from mixtures of pre-dried oxides powders of CeO2, Gd2O3 and Y2O3 in the appropriate stoichiometric ratio to explore their use as solid electrolytes for intermediate temperature solid oxide fuel cells (IT-SOFCs). Their crystal structures and ionic conductivities were characterised by X-ray powder diffraction (XRD) and AC complex impedance spectroscopy (EIS). The XRD analyses confirm that all the resulting synthesised co-doped cerium oxide powders are single-phase and crystallise in the cubic structure system with the space group Fm3m. On the one hand, the lattice parameter (a ) of the phases increases with increasing Gd content; on the other hand, with increasing Y-substitution rate, the latter decreases. The results of complex impedance conductivity measurements have shown that doping has a remarkable effect on conductivity. The co-doped cerium phases showed significant ionic conductivity values, making these materials excellent candidates for solid oxide electrolytes at intermediate temperatures.Keywords: electrolyte, Ceria, X-ray diffraction, EIS, SEM, SOFC
Procedia PDF Downloads 1444845 Experimental and Simulation Stress Strain Comparison of Hot Single Point Incremental Forming
Authors: Amar Al-Obaidi, Verena Kräusel, Dirk Landgrebe
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Induction assisted single point incremental forming (IASPIF) is a flexible method and can be simply utilized to form a high strength alloys. Due to the interaction between the mechanical and thermal properties during IASPIF an evaluation for the process is necessary to be performed analytically. Therefore, a numerical simulation was carried out in this paper. The numerical analysis was operated at both room and elevated temperatures then compared with experimental results. Fully coupled dynamic temperature displacement explicit analysis was used to simulated the hot single point incremental forming. The numerical analysis was indicating that during hot single point incremental forming were a combination between complicated compression, tension and shear stresses. As a result, the equivalent plastic strain was increased excessively by rising both the formed part depth and the heating temperature during forming. Whereas, the forming forces were decreased from 5 kN at room temperature to 0.95 kN at elevated temperature. The simulation shows that the maximum true strain was occurred in the stretching zone which was the same as in experiment.Keywords: induction heating, single point incremental forming, FE modeling, advanced high strength steel
Procedia PDF Downloads 2084844 Performance and Damage Detection of Composite Structural Insulated Panels Subjected to Shock Wave Loading
Authors: Anupoju Rajeev, Joanne Mathew, Amit Shelke
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In the current study, a new type of Composite Structural Insulated Panels (CSIPs) is developed and investigated its performance against shock loading which can replace the conventional wooden structural materials. The CSIPs is made of Fibre Cement Board (FCB)/aluminum as the facesheet and the expanded polystyrene foam as the core material. As tornadoes are very often in the western countries, it is suggestable to monitor the health of the CSIPs during its lifetime. So, the composite structure is installed with three smart sensors located randomly at definite locations. Each smart sensor is fabricated with an embedded half stainless phononic crystal sensor attached to both ends of the nylon shaft that can resist the shock and impact on facesheet as well as polystyrene foam core and safeguards the system. In addition to the granular crystal sensors, the accelerometers are used in the horizontal spanning and vertical spanning with a definite offset distance. To estimate the health and damage of the CSIP panel using granular crystal sensor, shock wave loading experiments are conducted. During the experiments, the time of flight response from the granular sensors is measured. The main objective of conducting shock wave loading experiments on the CSIP panels is to study the effect and the sustaining capacity of the CSIP panels in the extreme hazardous situations like tornados and hurricanes which are very common in western countries. The effects have been replicated using a shock tube, an instrument that can be used to create the same wind and pressure intensity of tornado for the experimental study. Numerous experiments have been conducted to investigate the flexural strength of the CSIP. Furthermore, the study includes the damage detection using three smart sensors embedded in the CSIPs during the shock wave loading.Keywords: composite structural insulated panels, damage detection, flexural strength, sandwich structures, shock wave loading
Procedia PDF Downloads 1464843 Standard Gibbs Energy of Formation and Entropy of Lanthanide-Iron Oxides of Garnet Crystal Structure
Authors: Vera Varazashvili, Murman Tsarakhov, Tamar Mirianashvili, Teimuraz Pavlenishvili, Tengiz Machaladze, Mzia Khundadze
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Standard Gibbs energy of formation ΔGfor(298.15) of lanthanide-iron double oxides of garnet-type crystal structure R3Fe5O12 - RIG (R – are rare earth ions) from initial oxides are evaluated. The calculation is based on the data of standard entropies S298.15 and standard enthalpies ΔH298.15 of formation of compounds which are involved in the process of garnets synthesis. Gibbs energy of formation is presented as temperature function ΔGfor(T) for the range 300-1600K. The necessary starting thermodynamic data were obtained from calorimetric study of heat capacity and by using the semi-empirical method for calculation of ΔH298.15 (formation). Thermodynamic functions for standard temperature – enthalpy, entropy and Gibbs energy - are recommended as reference data for technological evaluations. Through the isostructural series of rare earth-iron garnets the correlation between thermodynamic properties and characteristics of lanthanide ions are elucidated.Keywords: calorimetry, entropy, heat capacity, Gibbs energy of formation, rare earth iron garnets
Procedia PDF Downloads 3554842 Theoretical Approach to Kinetic of Heat Transfer under Irradiation
Authors: Pavlo Selyshchev
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A theoretical approach to describe kinetic of heat transfer between an irradiated sample and environment is developed via formalism of the Complex systems and kinetic equations. The irradiated material is a metastable system with non-linear feedbacks, which can give rise to different regimes of buildup and annealing of radiation-induced defects, heating and heat transfer with environment. Irradiation with energetic particles heats the sample and produces defects of the crystal lattice of the sample. The crystal with defects accumulates extra (non-thermal) energy, which is transformed into heat during the defect annealing. Any increase of temperature leads to acceleration of defect annealing, to additional transformation of non-thermal energy into heat and to further growth of the temperature. Thus a non-linear feedback is formed. It is shown that at certain conditions of irradiation this non-linear feedback leads to self-oscillations of the defect density, the temperature of the irradiated sample and the heat transfer between the sample and environment. Simulation and analysis of these phenomena is performed. The frequency of the self-oscillations is obtained. It is determined that the period of the self-oscillations is varied from minutes to several hours depending on conditions of irradiation and properties of the sample. Obtaining results are compared with experimental ones.Keywords: irradiation, heat transfer, non-linear feed-back, self-oscillations
Procedia PDF Downloads 2314841 Design and Simulation of Low Threshold Nanowire Photonic Crystal Surface Emitting Lasers
Authors: Balthazar Temu, Zhao Yan, Bogdan-Petrin Ratiu, Sang Soon Oh, Qiang Li
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Nanowire based Photonic Crystal Surface Emitting Lasers (PCSELs) reported in the literature have been designed using a triangular, square or honeycomb patterns. The triangular and square pattern PCSELs have limited degrees of freedom in tuning the design parameters which hinders the ability to design high quality factor (Q-factor) devices. Nanowire based PCSELs designed using triangular and square patterns have been reported with the lasing thresholds of 130 kW/〖cm〗^2 and 7 kW/〖cm〗^2 respectively. On the other hand the honeycomb pattern gives more degrees of freedom in tuning the design parameters, which can allow one to design high Q-factor devices. A deformed honeycomb pattern device was reported with lasing threshold of 6.25 W/〖cm〗^2 corresponding to a simulated Q-factor of 5.84X〖10〗^5.Despite this achievement, the design principles which can lead to realization of even higher Q-factor honeycomb pattern PCSELs have not yet been investigated. In this work we show that through deforming the honeycomb pattern and tuning the heigh and lattice constants of the nanowires, it is possible to achieve even higher Q-factor devices. Considering three different band edge modes, we investigate how the resonance wavelength changes as the device is deformed, which is useful in designing high Q-factor devices in different wavelength bands. We eventually establish the design and simulation of honeycomb PCSELs operating around the wavelength of 960nm , in the O and the C band with Q-factors up to 7X〖10〗^7. We also investigate the Q-factors of undeformed device, and establish that the mode at the band edge close to 960nm can attain highest Q-factor of all the modes when the device is undeformed and the Q-factor degrades as the device is deformed. This work is a stepping stone towards the fabrication of very high Q-factor, nanowire based honey comb PCSELs, which are expected to have very low lasing threshold.Keywords: designing nanowire PCSEL, designing PCSEL on silicon substrates, low threshold nanowire laser, simulation of photonic crystal lasers
Procedia PDF Downloads 114840 Development of Single Layer of WO3 on Large Spatial Resolution by Atomic Layer Deposition Technique
Authors: S. Zhuiykov, Zh. Hai, H. Xu, C. Xue
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Unique and distinctive properties could be obtained on such two-dimensional (2D) semiconductor as tungsten trioxide (WO3) when the reduction from multi-layer to one fundamental layer thickness takes place. This transition without damaging single-layer on a large spatial resolution remained elusive until the atomic layer deposition (ALD) technique was utilized. Here we report the ALD-enabled atomic-layer-precision development of a single layer WO3 with thickness of 0.77±0.07 nm on a large spatial resolution by using (tBuN)2W(NMe2)2 as tungsten precursor and H2O as oxygen precursor, without affecting the underlying SiO2/Si substrate. Versatility of ALD is in tuning recipe in order to achieve the complete WO3 with desired number of WO3 layers including monolayer. Governed by self-limiting surface reactions, the ALD-enabled approach is versatile, scalable and applicable for a broader range of 2D semiconductors and various device applications.Keywords: Atomic Layer Deposition (ALD), tungsten oxide, WO₃, two-dimensional semiconductors, single fundamental layer
Procedia PDF Downloads 2424839 Electrical Performance Analysis of Single Junction Amorphous Silicon Solar (a-Si:H) Modules Using IV Tracer (PVPM)
Authors: Gilbert Omorodion Osayemwenre, Edson Meyer, R. T. Taziwa
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The electrical analysis of single junction amorphous silicon solar modules is carried out using outdoor monitoring technique. Like crystalline silicon PV modules, the electrical characterisation and performance of single junction amorphous silicon modules are best described by its current-voltage (IV) characteristic. However, IV curve has a direct dependence on the type of PV technology and material properties used. The analysis reveals discrepancies in the modules performance parameter even though they are of similar technology. The aim of this work is to compare the electrical performance output of each module, using electrical parameters with the aid of PVPM 100040C IV tracer. These results demonstrated the relevance of standardising the performance parameter for effective degradation analysis of a-Si:H.Keywords: PVPM 100040C IV tracer, SolarWatt part, single junction amorphous silicon module (a-Si:H), Staebler-Wronski (S-W) degradation effect
Procedia PDF Downloads 3204838 Formulation of Highly Dosed Drugs Using Different Granulation Techniques: A Comparative Study
Authors: Ezeddin Kolaib
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Paracetamol tablets and cimetidine tablets were prepared by single-step granulation/tabletting and by compression after high shear granulation. The addition of PVP (polyvinylpyrrolidone) was essential for single-step granulation/tabletting of formulation containing high concentrations of paracetamol or cimetidine. Paracetamol tablets without and with PVP obtained by single-step granulation/tabletting exhibited a significantly higher tensile strength, a significantly lower disintegration time, a lower friability and a faster dissolution compared to those prepared by compression after high shear granulation. Cimetidine tablets with PVP obtained by single-step granulation/tabletting exhibited a significantly lower tensile strength, a significantly lower disintegration time and a faster dissolution compared to those prepared by compression after high shear granulation. Single-step granulation/tabletting allowed to produce tablets containing up to 80% paracetamol or cimetidine with a dissolution profile complying with the USP requirements. For pure paracetamol or pure cimetidine the addition of crospovidone as a disintegrant was required to obtain a dissolution profile that complied with the pharmacopoeial requirements. Long term and accelerated stability studies of paracetamol tablets produced by single-step granulation/tabletting over a period of one year showed no significant influence on the tablet tensile strength, friability and dissolution. Although a significant increase of the disintegration time was observed, it remained below 10 min. These results indicated that single-step granulation/tabletting could be an efficient technique for the production of highly dosed drugs such as paracetamol and cimetidine.Keywords: single-step granulation/tabletting, twin screw extrusion, high shear granulation, high dosage drugs, paracetamol, cimetidine
Procedia PDF Downloads 2954837 Design and Analysis of Proximity Fed Single Band Microstrip Patch Antenna with Parasitic Lines
Authors: Inderpreet Kaur, Sukhjit Kaur, Balwinder Singh Sohi
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The design proposed in this paper mainly focuses on implementation of a single feed compact rectangular microstrip patch antenna (MSA) for single band application. The antenna presented here also works in dual band but its best performance has been obtained when optimised to work in single band mode. In this paper, a new feeding structure is applied in the patch antenna design to overcome undesirable features of the earlier multilayer feeding structures while maintaining their interesting features.To make the proposed antenna more efficient the optimization of the antenna design parameters have been done using HFSS’s optometric. For the proposed antenna one resonant frequency has been obtained at 6.03GHz, with Bandwidth of 167MHz and return loss of -33.82db. The characteristics of the designed structure are investigated by using FEM based electromagnetic solver.Keywords: bandwidth, retun loss, parasitic lines, microstrip antenna
Procedia PDF Downloads 4624836 Deconvolution of Anomalous Fast Fourier Transform Patterns for Tin Sulfide
Authors: I. Shuro
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The crystal structure of Tin Sulfide prepared by certain chemical methods is investigated using High-Resolution Transmission Electron Microscopy (HRTEM), Scanning Electron Microscopy (SEM), and X-ray diffraction (XRD) methods. An anomalous HRTEM Fast Fourier Transform (FFT) exhibited a central scatter of diffraction spots, which is surrounded by secondary clusters of spots arranged in a hexagonal pattern around the central cluster was observed. FFT analysis has revealed a long lattice parameter and mostly viewed along a hexagonal axis where there many columns of atoms slightly displaced from one another. This FFT analysis has revealed that the metal sulfide has a long-range order interwoven chain of atoms in its crystal structure. The observed crystalline structure is inconsistent with commonly observed FFT patterns of chemically synthesized Tin Sulfide nanocrystals and thin films. SEM analysis showed the morphology of a myriad of multi-shaped crystals ranging from hexagonal, cubic, and spherical micro to nanostructured crystals. This study also investigates the presence of quasi-crystals as reflected by the presence of mixed local symmetries.Keywords: fast fourier transform, high resolution transmission electron microscopy, tin sulfide, crystalline structure
Procedia PDF Downloads 144