Search results for: nonlinear optical compound

Authors: Kanika Taneja, V. K. Soni, S. D. Attri, Kafeel Ahmad, Shamshad Ahmad

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Aerosols represent an important component of earth-atmosphere system and have a profound impact on the global and regional climate. With the growing population and urbanization, the aerosol load in the atmosphere over the Indian region is found to be increasing. Several studies have reported that the aerosol optical depth over the northern part of India is higher as compared to the southern part. The northern India along the Indo-Gangetic plain is often influenced with dust transported from the Thar Desert in northwestern India and from Arabian Peninsula during the pre-monsoon season. Seasonal variations in aerosol optical and radiative properties were examined using data retrieved from ground based multi-wavelength Prede Sun/sky radiometer (POM-02) over Delhi, Rohtak, Jodhpur and Varanasi for the period April 2011-April 2013. These stations are part of the Skynet-India network of India Meteorological Department. The Sun/sky radiometer (POM-02) has advantage over other instruments that it can be calibrated on-site. These aerosol optical properties retrieved from skyradiometer observations are further used to analyze the Direct Aerosol Radiative Forcing (DARF) over the study locations.

Keywords: aerosol optical properties, indo- gangetic plain, radiative forcing, sky radiometer

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Authors: M. Zamurad Shah, M. Kemal Ozgoren, Raza Samar

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This paper presents a 3D guidance scheme for Unmanned Aerial Vehicles (UAVs). The proposed guidance scheme is based on the sliding mode approach using nonlinear sliding manifolds. Generalized 3D kinematic equations are considered here during the design process to cater for the coupling between longitudinal and lateral motions. Sliding mode based guidance scheme is then derived for the multiple-input multiple-output (MIMO) system using the proposed nonlinear manifolds. Instead of traditional sliding surfaces, nonlinear sliding surfaces are proposed here for performance and stability in all flight conditions. In the reaching phase control inputs, the bang-bang terms with signum functions are accompanied with proportional terms in order to reduce the chattering amplitudes. The Proposed 3D guidance scheme is implemented on a 6-degrees-of-freedom (6-dof) simulation of a UAV and simulation results are presented here for different 3D trajectories with and without disturbances.

Keywords: unmanned aerial vehicles, sliding mode control, 3D guidance, nonlinear sliding manifolds

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Authors: V. V. Srinivasu, Jayashree Das

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Owing to the industrial and technological importance, transition metal (TM) doped ZnO has been widely chosen for many practical applications in electronics and optoelectronics. Besides, though still a controversial issue, the reported room temperature ferromagnetism in transition metal doped ZnO has added a feather to its excellence and importance in current semiconductor research for prospective application in Spintronics. Anticipating non controversial and improved optical and magnetic properties, we adopted co doping method to synthesise polycrystalline Mn:TM (Fe,Ni) and Mn:RE(Gd,Sm) co doped ZnO samples by solid state sintering route with compositions Zn1-x (Mn:Fe/Ni)xO and Zn1-x(Mn:Gd/Sm)xO and sintered at two different temperatures. The structure, composition and optical changes induced in ZnO due to co doping and sintering were investigated by XRD, FTIR, UV, PL and ESR studies. X-ray peak profile analysis (XPPA) and Williamson-Hall analysis carried out shows changes in the values of stress, strain, FWHM and the crystallite size in both the co doped systems. FTIR spectra also show the effect of both type of co doping on the stretching and bending bonds of ZnO compound. UV-Vis study demonstrates changes in the absorption band edge as well as the significant change in the optical band gap due to exchange interactions inside the system after co doping. PL studies reveal effect of co doping on UV and visible emission bands in the co doped systems at two different sintering temperatures, indicating the existence of defects in the form of oxygen vacancies. While the TM: TM co doped samples of ZnO exhibit ferromagnetism at room temperature, the TM: RE co doped samples show paramagnetic behaviour. The magnetic behaviours observed are supported by results from Electron Spin resonance (ESR) study; which shows sharp resonance peaks with considerable line width (∆H) and g values more than 2. Such values are usually found due to the presence of an internal field inside the system giving rise to the shift of resonance field towards the lower field. The g values in this range are assigned to the unpaired electrons trapped in oxygen vacancies. TM: TM co doped ZnO samples exhibit low field absorption peaks in their ESR spectra, which is a new interesting observation. We emphasize that the interesting observations reported in this paper may be considered for the improved futuristic applications of ZnO based materials.

Keywords: co-doping, electro spin resonance, microwave absorption, spintronics

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Authors: Carolina Beres, Laurine Da Silva, Danielle Pereira, Ana Ribeiro, Renata Tonon, Caroline Mellinger-Silva, Karina Dos Santos, Flavia Gomes, Lourdes Cabral

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The health benefits of bioactive compounds such as phenolics are well known. The main source of these compounds are fruits and derivates. This study had the objective to study the bioacessibility of phenolic compounds from grape pomace and juçara dried extracts. For this purpose both characterized extracts were submitted to a simulated human digestion and the total phenolic content, total anthocyanins and antioxidant scavenging capacity was determinate in digestive fractions (oral, gastric, intestinal and colonic). Juçara had a higher anthocianins bioacessibility (17.16%) when compared to grape pomace (2.08%). The opposite result was found for total phenolic compound, where the higher bioacessibility was for grape (400%). The phenolic compound increase indicates a more accessible compound in the human gut. The lyophilized process had a beneficial impact in the final accessibility of the phenolic compounds being a more promising technique.

Keywords: bioacessibility, phenolic compounds, grape, juçara

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Authors: Nabil Saad, David Morgan, Manish Gupta

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Visibility has become a key component of air quality and is regulated in many areas by environmental laws such as the EPA Clean Air Act and Regional Haze Rule. Typically, visibility is calculated by estimating the optical absorption and scattering of both gases and aerosols. A major component of the aerosols’ climatic effect is due to their scattering and absorption of solar radiation, which are governed by their optical and physical properties. However, the accurate assessment of this effect on global warming, climate change, and air quality is made difficult due to uncertainties in the calculation of single scattering albedo (SSA). Experimental complications arise in the determination of the single scattering albedo of an aerosol particle since it requires the simultaneous measurement of both scattering and extinction. In fact, aerosol optical absorption, in particular, is a difficult measurement to perform, and it’s often associated with large uncertainties when using filter methods or difference methods. In this presentation, we demonstrate the use of a new open-path Optical Extinction Analyzer (OEA) in conjunction with a nephelometer and two particle sizers, emphasizing the benefits that co-employment of the OEA offers to derive the complex refractive index of aerosols and their single scattering albedo parameter. Various use cases, data reproducibility, and instrument calibration will also be presented to highlight the value proposition of this novel Open-Path OEA.

Keywords: aerosols, extinction, visibility, albedo

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Authors: Jitendra Kumar Chawla, Mukesh Kumar Mishra

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The nonlinear amplitude modulation of ion-acoustic wave is studied in the presence of two-electron temperature distribution in unmagnetized electron-positron-ion plasmas. The Krylov-Bogoliubov-Mitropolosky (KBM) perturbation method is used to derive the nonlinear Schrödinger equation. The dispersive and nonlinear coefficients are obtained which depend on the temperature and concentration of the hot and cold electron species as well as the positron density and temperature. The modulationally unstable regions are studied numerically for a wide range of wave number. The effects of the temperature and concentration of the hot and cold electron on the modulational stability are investigated in detail.

Keywords: modulational instability, ion acoustic wave, KBM method

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Authors: R. Shrestha, D. P. Subedi, R. B. Tyata, C. S. Wong,

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In this paper, a technique for the determination of electron temperatures and electron densities in atmospheric pressure Argon/air discharge by the analysis of optical emission spectra (OES) is reported. The discharge was produced using a high voltage (0-20) kV power supply operating at a frequency of 27 kHz in parallel electrode system, with glass as dielectric. The dielectric layers covering the electrodes act as current limiters and prevent the transition to an arc discharge. Optical emission spectra in the range of (300nm-850nm) were recorded for the discharge with different inter electrode gap keeping electric field constant. Electron temperature (Te) and electron density (ne) are estimated from electrical and optical methods. Electron density was calculated using power balance method. The optical methods are related with line intensity ratio from the relative intensities of Ar-I and Ar-II lines in Argon plasma. The electron density calculated by using line intensity ratio method was compared with the electron density calculated by stark broadening method. The effect of dielectric thickness on plasma parameters (Te and ne) have also been studied and found that Te and ne increases as thickness of dielectric decrease for same inter electrode distance and applied voltage.

Keywords: electron density, electron temperature, optical emission spectra,

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Authors: S. Roy, R. Rekha, K. Sriram, G. Subhadra, R. Johana

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Cardiovascular disease remains a leading cause of death in most industrialized countries. Many chemical drugs are available in the market which targets different receptor proteins related to cardiovascular diseases. Of late the traditional herbal drugs are safer when compared to chemical drugs because of its side effects. However, many herbal remedies used in treating cardiovascular diseases have not undergone scientific assessment to prove its pharmacological activities. There are many natural compounds, nature derived and Natural product mimic compounds are available which are in the market as approved drug. In the most of the cases drug activity at the molecular level are not known. Here we have categorized those compounds with our experimental compounds in different classes based on the structural similarity and physicochemical properties, using a tool, Chemmine and has attempted to understand the mechanism of the action of a experimental compound, which are clustered with Simvastatin, Lovastatin, Mevastatin and Pravastatin. Target protein molecule for Simvastatin, Lovastatin, Mevastatin and Pravastatin is HMG-CoA reductase, so we concluded that the experimental compound may be able to bind to the same target. Molecular docking and atomic interaction studies with simvastatin and our experimental compound were compared. A pharmacophore modeling was done based on the experimental compound and HMG-CoA reductase inhibitor.

Keywords: molecular docking, physicochemical properties, pharmacophore modeling structural similarity, pravastatin

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Authors: Abderrahmane El Kachani, El Mahjoub Chakir, Anass Ait Laachir, Abdelhamid Niaaniaa, Jamal Zerouaoui, Tarik Jarou

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This paper presents a wind turbine based on the doubly fed induction generator (DFIG) connected to the utility grid through a shunt active power filter (SAPF). The whole system is controlled by a double nonlinear predictive controller (DNPC). A Taylor series expansion is used to predict the outputs of the system. The control law is calculated by optimization of the cost function. The first nonlinear predictive controller (NPC) is designed to ensure the high performance tracking of the rotor speed and regulate the rotor current of the DFIG, while the second one is designed to control the SAPF in order to compensate the harmonic produces by the three-phase diode bridge supplied by a passive circuit (rd, Ld). As a result, we obtain sinusoidal waveforms of the stator voltage and stator current. The proposed nonlinear predictive controllers (NPCs) are validated via simulation on a 1.5 MW DFIG-based wind turbine connected to an SAPF. The results obtained appear to be satisfactory and promising.

Keywords: wind power, doubly fed induction generator, shunt active power filter, double nonlinear predictive controller

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Authors: Emad K. Jaradat, Ala’a Al-Faqih

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Nonlinear Schrödinger equations are regularly experienced in numerous parts of science and designing. Varieties of analytical methods have been proposed for solving these equations. In this work, we construct an approximate solution for the nonlinear Schrodinger equations, with harmonic oscillator potential, by Elzaki Decomposition Method (EDM). To illustrate the effects of harmonic oscillator on the behavior wave function, nonlinear Schrodinger equation in one and two dimensions is provided. The results show that, it is more perfectly convenient and easy to apply the EDM in one- and two-dimensional Schrodinger equation.

Keywords: non-linear Schrodinger equation, Elzaki decomposition method, harmonic oscillator, one and two-dimensional Schrodinger equation

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Authors: Mohamed K. Metwally, Sherif H. El-Gohary, Kyung Min Byun, Seung Moo Han, Soo Yeol Lee, Min Hyoung Cho, Gon Khang, Jinsung Cho, Tae-Seong Kim

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Photoacoustic imaging (PAI) is a non-invasive and non-ionizing imaging modality that combines the absorption contrast of light with ultrasound resolution. Laser is used to deposit optical energy into a target (i.e., optical fluence). Consequently, the target temperature rises, and then thermal expansion occurs that leads to generating a PA signal. In general, most image reconstruction algorithms for PAI assume uniform fluence within an imaging object. However, it is known that optical fluence distribution within the object is non-uniform. This could affect the reconstruction of PA images. In this study, we have investigated the influence of optical fluence distribution on PA back-propagation imaging using finite element method. The uniform fluence was simulated as a triangular waveform within the object of interest. The non-uniform fluence distribution was estimated by solving light propagation within a tissue model via Monte Carlo method. The results show that the PA signal in the case of non-uniform fluence is wider than the uniform case by 23%. The frequency spectrum of the PA signal due to the non-uniform fluence has missed some high frequency components in comparison to the uniform case. Consequently, the reconstructed image with the non-uniform fluence exhibits a strong smoothing effect.

Keywords: finite element method, fluence distribution, Monte Carlo method, photoacoustic imaging

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Authors: P. W. Tsai, W. L. Hong, C. W. Chen, C. Y. Chen

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In this paper, we present a neural network (NN) based approach represent a nonlinear Tagagi-Sugeno (T-S) system. A linear differential inclusion (LDI) state-space representation is utilized to deal with the NN models. Taking advantage of the LDI representation, the stability conditions and controller design are derived for a class of nonlinear structural systems. Moreover, the concept of utilizing the Parallel Particle Swarm Optimization (PPSO) algorithm to solve the common P matrix under the stability criteria is given in this paper.

Keywords: Lyapunov stability, parallel particle swarm optimization, linear differential inclusion, artificial intelligence

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Authors: Ahmed H. Amer, A. Amar, Sh. Hamada, I. I. Bondouk, F. A. El-Hussiny

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Elastic scattering of α-particles from 9Be and 11B nuclei at different alpha energies have been analyzed. Optical model parameters (OMPs) of α-particles elastic scattering by these nuclei at different energies have been obtained. In the present calculations, the real part of the optical potential are derived by folding of nucleon-nucleon (NN) interaction into nuclear matter density distribution of the projectile and target nuclei using computer code FRESCO. A density-dependent version of the M3Y interaction (CDM3Y6), which is based on the G-matrix elements of the Paris NN potential, has been used. Volumetric integrals of the real and imaginary potential depth (JR, JW) have been calculated and found to be energy dependent. Good agreement between the experimental data and the theoretical predictions in the whole angular range. In double folding (DF) calculations, the obtained normalization coefficient Nr is in the range 0.70–1.32.

Keywords: elastic scattering, optical model, double folding model, density distribution

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Authors: Shin-Pin Tseng

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Nowadays, numerous spectral amplitude coding (SAC) fiber-optic code-division-multiple-access (FO-CDMA) techniques were appealing due to their capable of providing moderate security and relieving the effects of multiuser interference (MUI). Nonetheless, the performance of the previous network is degraded due to fixed in-phase cross-correlation (IPCC) value. Based on the above problems, a new SAC FO-CDMA network using partial M-sequence (PMS) code is presented in this study. Because the proposed PMS code is originated from M-sequence code, the system using the PMS code could effectively suppress the effects of MUI. In addition, two-code keying (TCK) scheme can applied in the proposed SAC FO-CDMA network and enhance the whole network performance. According to the consideration of system flexibility, simple optical encoders/decoders (codecs) using fiber Bragg gratings (FBGs) were also developed. First, we constructed a diagram of the SAC FO-CDMA network, including (N/2-1) optical transmitters, (N/2-1) optical receivers, and one N×N star coupler for broadcasting transmitted optical signals to arrive at the input port of each optical receiver. Note that the parameter N for the PMS code was the code length. In addition, the proposed SAC network was using superluminescent diodes (SLDs) as light sources, which then can save a lot of system cost compared with the other FO-CDMA methods. For the design of each optical transmitter, it is composed of an SLD, one optical switch, and two optical encoders according to assigned PMS codewords. On the other hand, each optical receivers includes a 1 × 2 splitter, two optical decoders, and one balanced photodiode for mitigating the effect of MUI. In order to simplify the next analysis, the some assumptions were used. First, the unipolarized SLD has flat power spectral density (PSD). Second, the received optical power at the input port of each optical receiver is the same. Third, all photodiodes in the proposed network have the same electrical properties. Fourth, transmitting '1' and '0' has an equal probability. Subsequently, by taking the factors of phase‐induced intensity noise (PIIN) and thermal noise, the corresponding performance was displayed and compared with the performance of the previous SAC FO-CDMA networks. From the numerical result, it shows that the proposed network improved about 25% performance than that using other codes at BER=10-9. This is because the effect of PIIN was effectively mitigated and the received power was enhanced by two times. As a result, the SAC FO-CDMA network using PMS codes has an opportunity to apply in applications of the next-generation optical network.

Keywords: spectral amplitude coding, SAC, fiber-optic code-division multiple-access, FO-CDMA, partial M-sequence, PMS code, fiber Bragg grating, FBG

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Authors: Pradip Kumar Jha, Manoj Kumar

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We demonstrate in this work the effect of Rashba spin orbit interaction on multiphoton optical transitions of a quantum dot in the presence of THz laser field and external static magnetic field. This combination is solved by accurate non-perturbative Floquet theory. Investigations are made for the optical response of intraband transition between the various states of the conduction band with spin flipping. Enhancement and power broadening observed for excited states probabilities with increase of external fields are directly linked to the emission spectra of QD and will be useful for making future bioimaging devices.

Keywords: bioimaging, multiphoton processes, spin orbit interaction, quantum dot

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Authors: N. K. Fuloria, S. Fuloria, R. Gupta

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Esterification of p-bromo-m-cresol offered 2-(4-bromo-3-methyl phenoxy)acetate (1), which was hydrazinated to yield 2-(4-bromo-3-methyl phenoxy)aceto hydrazide (2). Compound (2) was reacted with different aromatic aldehydes to yield N-(substituted benzylidiene)-2-(4-bromo-3-methyl phenoxy)acetamide(3a-c). Cyclization of compound (3a-c) with thioglycolic acid yielded 2-(4-bromo-3-methylphenoxy)-N-(4-oxo-2-arylthiazolidin-3-yl) acetamide (4a-c). The newly synthesized compounds were characterized on the basis of spectral studies and evaluated for antibacterial and antifungal activities.

Keywords: imines, thiazolidinone, schiff base, antimicrobial

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Authors: Mohamed Achehboune, Mohammed Khenfouch, Issam Boukhoubza, Bakang Mothudi, Izeddine Zorkani, Anouar Jorio

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Zinc Oxide (ZnO) nanostructures have been attracting growing interest in recent years; their optical and electrical properties make them useful as attractive and promising materials for optoelectronic applications. In this study, pure and Hafnium doped ZnO nanostructures were synthesized using a green processing method. The structural, optical and electrical properties of samples were investigated structural and optical spectroscopies and electrical measurements. The synthesis and chemical composition of pure and Hafnium doped ZnO were confirmed by SEM observation. The XRD studies of Hafnium doped ZnO demonstrate the formation of wurtzite structure with preferred c-axis orientation. Moreover, the optical and electrical properties of doped material have improved after the doping process. The experimental results obtained for our material show that Hf doped ZnO nanostructures could be a promising material in optoelectronic applications such as photovoltaic cell and light emitting diode devices.

Keywords: green synthesis, hafnium-doped-zinc oxide, nanostructures, optoelectronic

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Authors: Takashi Shimizu, Tomoaki Hashimoto

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A class of implicit systems is known as a more generalized class of systems than a class of explicit systems. To establish a control method for such a generalized class of systems, we adopt model predictive control method which is a kind of optimal feedback control with a performance index that has a moving initial time and terminal time. However, model predictive control method is inapplicable to systems whose all state variables are not exactly known. In other words, model predictive control method is inapplicable to systems with limited measurable states. In fact, it is usual that the state variables of systems are measured through outputs, hence, only limited parts of them can be used directly. It is also usual that output signals are disturbed by process and sensor noises. Hence, it is important to establish a state estimation method for nonlinear implicit systems with taking the process noise and sensor noise into consideration. To this purpose, we apply the model predictive control method and unscented Kalman filter for solving the optimization and estimation problems of nonlinear implicit systems, respectively. The objective of this study is to establish a model predictive control with unscented Kalman filter for nonlinear implicit systems.

Keywords: optimal control, nonlinear systems, state estimation, Kalman filter

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Authors: Sylwia Krawiec, Joanna Cabaj, Karol Malecha

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Nowadays, progress in the field of the analytical methods is of great interest for reliable biological research and medical diagnostics. Classical techniques of chemical analysis, despite many advantages, do not permit to obtain immediate results or automatization of measurements. Chemical sensors have displaced the conventional analytical methods - sensors combine precision, sensitivity, fast response and the possibility of continuous-monitoring. Biosensor is a chemical sensor, which except of conventer also possess a biologically active material, which is the basis for the detection of specific chemicals in the sample. Each biosensor device mainly consists of two elements: a sensitive element, where is recognition of receptor-analyte, and a transducer element which receives the signal and converts it into a measurable signal. Through these two elements biosensors can be divided in two categories: due to the recognition element (e.g immunosensor) and due to the transducer (e.g optical sensor). Working of optical sensor is based on measurements of quantitative changes of parameters characterizing light radiation. The most often analyzed parameters include: amplitude (intensity), frequency or polarization. Changes in the optical properties one of the compound which reacts with biological material coated on the sensor is analyzed by a direct method, in an indirect method indicators are used, which changes the optical properties due to the transformation of the testing species. The most commonly used dyes in this method are: small molecules with an aromatic ring, like rhodamine, fluorescent proteins, for example green fluorescent protein (GFP), or nanoparticles such as quantum dots (QDs). Quantum dots have, in comparison with organic dyes, much better photoluminescent properties, better bioavailability and chemical inertness. These are semiconductor nanocrystals size of 2-10 nm. This very limited number of atoms and the ‘nano’-size gives QDs these highly fluorescent properties. Rapid and sensitive detection of dopamine is extremely important in modern medicine. Dopamine is very important neurotransmitter, which mainly occurs in the brain and central nervous system of mammals. Dopamine is responsible for the transmission information of moving through the nervous system and plays an important role in processes of learning or memory. Detection of dopamine is significant for diseases associated with the central nervous system such as Parkinson or schizophrenia. In developed optical biosensor for detection of dopamine, are used graphene quantum dots (GQDs). In such sensor dopamine molecules coats the GQD surface - in result occurs quenching of fluorescence due to Resonance Energy Transfer (FRET). Changes in fluorescence correspond to specific concentrations of the neurotransmitter in tested sample, so it is possible to accurately determine the concentration of dopamine in the sample.

Keywords: biosensor, dopamine, fluorescence, quantum dots

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Authors: Dinkar Dantala, Kishore Putha, Padmavathi Manchineelu

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Optical fibers are widely used in the measurement of several physical parameters like temperature, pressure, vibrations etc. Measurement of vibrations plays a vital role in machines. In this paper, three fiber optic non-contact vibration sensors were discussed, which are designed based on the principle of light intensity modulation. The Dual plastic optical fiber, Fiber optic fused 1x2 coupler and Fiber optic fused 2x2 coupler vibration sensors are compared based on range of frequency, resolution and sensitivity. It is to conclude that 2x2 coupler configuration shows better response than other two sensors.

Keywords: fiber optic, PMMA, vibration sensor, intensity-modulated

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Authors: Anurag Sharma, Rahul Malhotra, Love Kumar, Harjit Pal Singh

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This paper demonstrates OCDM-ROF based hybrid architecture where data/voice communication is enabled via a permutation of Optical Code Division Multiplexing (OCDM) and Radio-over-Fiber (RoF) techniques under various diverse conditions. OCDM-RoF hybrid network of 16 users with DPSK modulation format has been designed and performance of proposed network is analyzed for 100, 150, and 200 km fiber span length under the influence of linear and nonlinear effect. It has been reported that Polarization Mode Dispersion (PMD) has the least effect while other nonlinearity affects the performance of proposed network.

Keywords: OCDM, RoF, DPSK, PMD, eye diagram, BER, Q factor

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Authors: Hari Bezwada, Michelle Cheon, Ryan Divan, Hannah Escritor, Michelle Kagramian, Isha Korgaonkar, Maya MacAdams, Udgita Pamidigantam, Richard Pilny, Eleanor Race, Angadh Singh, Nathan Zhang, LeeAnn Nguyen, Fina Liotta

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Malaria is a deadly disease caused by the Plasmodium parasite, which continues to develop resistance to current antimalarial drugs. In this research project, the effectiveness of numerous thiazole derivatives was explored in inhibiting the PfPKG, a crucial part of the Plasmodium life cycle. This study involved the synthesis of six thiazole-derived amides to inhibit the PfPKG pathway. Nuclear Magnetic Resonance (NMR) spectroscopy and Infrared (IR) spectroscopy were used to characterize these compounds. Furthermore, AutoDocking software was used to predict binding affinities of these thiazole-derived amides in silico. In silico, compound 6 exhibited the highest predicted binding affinity to PfPKG, while compound 5 had the lowest affinity. Compounds 1-4 displayed varying degrees of predicted binding affinity. In-vitro, it was found that compound 4 had the best percent inhibition, while compound 5 had the worst percent inhibition. Overall, all six compounds had weak inhibition (approximately 30-39% at 10 μM), but these results provide a foundation for future drug discovery experiments.

Keywords: Medicinal Chemistry, Malaria, drug discovery, PfPKG, Thiazole, Plasmodium

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Authors: Pavlo Selyshchev, Samuel Akintunde

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A theoretical approach to consider formation of chemical compound layer at the interface between initial substances A and B due to the interfacial interaction and diffusion is developed. It is considered situation when speed of interfacial interaction is large enough and diffusion of A-atoms through AB-layer is much more then diffusion of B-atoms. Atoms from A-layer diffuse toward B-atoms and form AB-atoms on the surface of B-layer. B-atoms are assumed to be immobile. The growth kinetics of the AB-layer is described by two differential equations with non-linear coupling, producing a good fit to the experimental data. It is shown that growth of the thickness of the AB-layer determines by dependence of chemical reaction rate on reactants concentration. In special case the thickness of the AB-layer can grow linearly or parabolically depending on that which of processes (interaction or the diffusion) controls the growth. The thickness of AB-layer as function of time is obtained. The moment of time (transition point) at which the linear growth are changed by parabolic is found.

Keywords: phase formation, binary systems, interfacial reaction, diffusion, compound layers, growth kinetics

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Authors: Jaroslav Krutil, Simona Fialová, , František Pochylý

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A nonlinear mathematical model of mutual fluid-structure interaction is presented in the work. The model is applicable to the general shape of sealing gaps. An in compressible fluid and turbulent flow is assumed. The shaft carries a rotational and procession motion, the gap is axially flowed through. The achieved results of the additional mass, damping and stiffness matrices may be used in the solution of the rotor dynamics. The usage of this mathematical model is expected particularly in hydraulic machines. The method of control volumes in the ANSYS Fluent was used for the simulation. The obtained results of the pressure and velocity fields are used in the mathematical model of additional effects.

Keywords: nonlinear mathematical model, CFD modeling, hydrodynamic sealing gap, matrices of mass, stiffness, damping

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Authors: Kheira Hamaida, Mohamed Salah Halati

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In this current paper, our aim work is to link as possible the obtained simulation results and the other experimental ones, just focusing on the electronic and optical properties of ZnSe. The predictive spectra of the total and partial densities of states using the Full Potential Linearized/Augmented Plane Wave method with the newly Tran-Blaha (TB) modified Becke-Johnson (mBJ) exchange-correlation potential (EXC). So the upper valence energy (UVE) levels contain the relative contribution of Se-(4p and 3d) states with considerable contribution from the electrons of Zn-2s orbital. The dielectric function of w-ZnSe, with its two parts, appears with a noticeable anisotropy character. The microscopic origins of the electronic states that are responsible for the observed peaks in the spectrum are determined through the decomposition of the spectrum to the individual contributions of the electronic transitions between the pairs of bands, where Vi is an occupied state in the valence band, and Ci is an unoccupied state in the conduction band. X-PES (X Ray-Photo Electron Spectroscopy) is an important technique used to probe the homogeneity, stoichiometry, and purity state of the title compound. In order to check the electron transitions derived from simulations and the others from Reflected Electron Energy Loss Spectroscopy (REELS) technique which was of great sensitivity, is used to determine the interband electronic transitions. In the optical window (Eg), all the electron energy states created were also determined through the specific gaussian deconvolution of the photoluminescence spectrum (PLS) that probed under a room temperature (RT).

Keywords: spectroscopy, WIEN2K, IIB-VIA semiconductors, dielectric function

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Authors: Mohammad Hosseini

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Ultrafast transistor laser investigated here has the graded index separate confinement heterostructure (GRIN-SCH) in its base region. Resonance-free optical frequency response with -3dB bandwidth of more than 26 GHz has been achieved for a single quantum well transistor laser by using graded index layers of AlξGa1-ξAs (ξ: 0.1→0) on the left side of the quantum well and AlξGa1-ξAs (ξ: 0.05→0) in the right side of quantum well. All required parameters, including quantum well and base transit time, optical confinement factor and spontaneous recombination lifetime, have been calculated using a self-consistent charge control model.

Keywords: transistor laser, ultrafast, GRIN-SCH, -3db optical bandwidth, AlξGa1-ξAs

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Authors: A. Melouah, M. Diaf

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The III-N nitride semiconductors appear to be excellent host materials, in particular, GaN epilayers doped with Erbium ions have shown a highly reduced thermal quenching of the Er luminescence intensity from cryogenic to elevated temperatures. The remarkable stability may be due to the large energy band gap of the material. Two methods are used for doping the Gallium nitride films with Erbium ions; ion implantation in the wafers obtained by (CVDOM) and in-situ incorporation during epitaxial growth of the layers by (MBE). Photoluminescence (PL) spectroscopy has been the main optical technique used to characterize the emission of Er-doped III-N semiconductor materials. This technique involves optical excitation of Er3+ ions and measurement of the spectrum of the light emission as a function of energy (wavelength). Excitation at above band gap energy leads to the creation of Electron-Hole pairs. Some of this pairs may transfer their energy to the Er3+ ions, exciting the 4f-electrons and resulting in optical emission. This corresponds to an indirect excitation of the Er3+ ions by electron-hole pairs. The direct excitation by the optical pumping of the radiation can be obtained.

Keywords: photoluminescence, Erbium, GaN, semiconductor materials

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Authors: Rupu Yang, Cong Toan Tran, Assaad Zoughaib

Abstract:

The work provides an iterative nonlinear programming method to synthesize a heat exchanger network by manipulating the trade-offs between the heat load of process heat exchangers (HEs) and utilities. We consider for the synthesis problem two cases, the first one without fixed cost for HEs, and the second one with fixed cost. For the no fixed cost problem, the nonlinear programming (NLP) model with all the potential HEs is optimized to obtain the global optimum. For the case with fixed cost, the NLP model is iterated through adding/removing HEs. The method was applied in five case studies and illustrated quite well effectiveness. Among which, the approach reaches the lowest TAC (2,904,026$/year) compared with the best record for the famous Aromatic plants problem. It also locates a slightly better design than records in literature for a 10 streams case without fixed cost with only 1/9 computational time. Moreover, compared to the traditional mixed-integer nonlinear programming approach, the iterative NLP method opens a possibility to consider constraints (such as controllability or dynamic performances) that require knowing the structure of the network to be calculated.

Keywords: heat exchanger network, synthesis, NLP, optimization

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Authors: Ariana Kilic, Serena Arapyan

Abstract:

Water pollution is a serious concern in all seas around the world and one major cause of it is dye textile wastes mixing with seawater. This common incident alters aquatic life, putting organisms’ lives in danger and deteriorating the water's nature. There is a significant need for a natural approach to reduce the amount of dye textile waste in seawater and ensure marine organisms' safety. Consequently, using marine algae is a viable solution since it can eliminate the excess waste by absorbing the dye. Also, marine algae are non-vascular that absorb water and nutrients, meaning that having them as absorbers is a natural process and no inorganic matters will be added to the seawater that could result in further pollution. To test the efficiency of this approach, the optical absorbance of the seawater samples was measured before and after the addition of marine algae by utilizing colorimetry. A colorimeter is used to find the concentration of a chemical compound in a solution by measuring the absorbance of the compound at a specific wavelength. Samples of seawater that have equal amounts of water were used and textile dye was added as the constant variables. The initial and final absorbances, the dependent variable, of the water were measured before and after the addition of marine algae, the independent variable, and observed. The lower the absorbance showed us that there is lower dye concentration and therefore, the marine algae had done its job by using and absorbing the dye. The same experiment was repeated with same amount of water but with different concentrations of dye in order to determine the maximum concentration of dye the marine algae can completely absorb. The diminished concentration of dye demonstrated that pollution caused by factories’ dye wastes could be prevented with the natural method of marine algae. The involvement of marine algae is an optimal strategy for having an organic solution to absorbing the dye wastes in seas and obstructing water pollution.

Keywords: water pollution, dye textile waste, marine algae, absorbance, colorimetry

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Authors: Anurag Gaur, Neha Sharma

Abstract:

In this work, we have synthesized BaTiO3 via sol gel method by sintering at different temperatures (600-1000 0C) and studied their structural, optical and ferroelectric properties through X-Ray diffraction (XRD), UV-Vis spectrophotometer and PE Loop Tracer. X-Ray diffraction patterns of barium titanate samples show that the peaks of the diffractogram are successfully indexed with the tetragonal structure of BaTiO3 along with some minor impurities of BaCO3. The optical band gap calculated through UV Visible spectrophotometer varies from 4.37 to 3.80 eV for the samples sintered at 600 to 1000 0 C, respectively. The particle size calculated through transmission electron microscopy varies from 20 to 60 nm for the samples sintered at 600 to 1000 0C, respectively. Moreover, it has been observed that the ferroelectricity reduces as we increase the sintering temperature.

Keywords: nanostructures, ferroelectricity, sol-gel method, diffractogram

Procedia PDF Downloads 415