Search results for: B3LYP level
12682 Synthesis, Characterization, and Quantum Investigations on [3+2] Cycloaddition Reaction of Nitrile Oxide with 1,5-Benzodiazepine
Authors: Samir Hmaimou, Marouane Ait Lahcen, Mohamed Adardour, Mohamed Maatallah, Abdesselam Baouid
Abstract:
Due to (3 + 2) cycloaddition and condensation reaction, a wide range of synthetic routes can be used to obtain biologically active heterocyclic compounds. Condensation and (3+2) cycloaddition reactions in heterocyclic syntheses are versatile due to the wide variety of possible combinations of several atoms of the reactants. In this article, we first outline the synthesis of benzodiazepine 4 with two dipolarophilic centers (C=C and C=N) by condensation reaction. Then, we use it for cycloaddition reactions (3+2) with nitrile oxides to prepare oxadiazole-benzodiazepines and pyrazole-benzodiazepine compounds. ¹H and ¹³C NMR are used to establish all the structures of the synthesized products. These condensation and cycloaddition reactions were then analyzed using density functional theory (DFT) calculations at the B3LYP/6-311G(d,p) theoretical level. In this study, the mechanism of the one-step cycloaddition reaction was investigated. Molecular electrostatic potential (MEP) was used to identify the electrophilic and nucleophilic attack sites of the molecules studied. Additionally, Fukui investigations (electrophilic f- and nucleophilic f+) in the various reaction centers of the reactants demonstrate that, whether in the condensation reaction or cycloaddition, the reaction proceeds through the atomic centers with the most important Fukui functions, which is in full agreement with experimental observations. In the condensation reaction, thermodynamic control of regio, chemo, and stereoselectivity is observed, while those of cycloaddition are subject to kinetic control.Keywords: cycloaddition reaction, regioselectivity, mechanism reaction, NMR analysis
Procedia PDF Downloads 1612681 Synthesis, Characterization and Biological Activites of Azomethine Derivatives
Authors: Lynda Golea, Rachid Chebaki
Abstract:
Schiff bases contain heterocyclic structural units with N and O donor atoms which plays an important role in coordination chemistry. Azomethine groups are a broad class of widely used compounds with applications in many fields, including analytical, inorganic chemistry and biological. Schiff's base is of promising research interest due to the widespread antibacterial resistance in medical science. In addition, the research is essential to generate Schiff base metal complexes with various applications. Schiff complexes have been used as drugs and have antibacterial, antifungal, antiviral, and anti-inflammatory properties. The various donor atoms they contain offer a special ability for metal binding. In this research on the physicochemical properties of azomethine groups, we synthesized and studied the Schiff base compounds by a condensation reaction of tryptamines and acetophenone in ethanol. The structure of the prepared compound was interpreted using 1H NMR, 13C NMR, UV-vis and FT-IR. A computational analysis at the level of DFT with functional B3LYP in conjunction with the base 6-311+G (d, p) was conducted to study its electronic and molecular structure. The biological study was performed on three bacterial strains usually causing infection, including Gram-positive and Gram-negative, for antibacterial activity. Results showed moderate biological activity and proportional activity with increasing concentration.Keywords: azomethine, HOMO, LUMO, RMN, molecular docking
Procedia PDF Downloads 6312680 Long-Term Trends of Sea Level and Sea Surface Temperature in the Mediterranean Sea
Authors: Bayoumy Mohamed, Khaled Alam El-Din
Abstract:
In the present study, 24 years of gridded sea level anomalies (SLA) from satellite altimetry and sea surface temperature (SST) from advanced very-high-resolution radiometer (AVHRR) daily data (1993-2016) are used. These data have been used to investigate the sea level rising and warming rates of SST, and their spatial distribution in the Mediterranean Sea. The results revealed that there is a significant sea level rise in the Mediterranean Sea of 2.86 ± 0.45 mm/year together with a significant warming of 0.037 ± 0.007 °C/year. The high spatial correlation between sea level and SST variations suggests that at least part of the sea level change reported during the period of study was due to heating of surface layers. This indicated that the steric effect had a significant influence on sea level change in the Mediterranean Sea.Keywords: altimetry, AVHRR, Mediterranean Sea, sea level and SST changes, trend analysis
Procedia PDF Downloads 19412679 Investigating the Difference in Stability of Various Isomeric Hydrogen Bonded Dimers
Authors: Mohamed Ayoub
Abstract:
The structures and energetics of various isomeric hydrogen bonded dimers, such as (FH…OC, FH…CO), (FH…CNH, FH…NCH), (FH…N2O, FH…ON2), and (FH…NHCO, FH…OCNH) have been investigated using DFT B3LYP with aug-cc-pVTZ basis set and by natural bond orbital (NBO) analysis. For each isomeric pair we calculated: H-bond energy (ΔEB…H), charge-transfer (QCT), where B is atom bearing lone-pairs in CO, CNH, NCH, N2O, and NHCO, H-bond distances (RB…H), the elongation of HF bond (ΔRHF) and the red-shift of HF stretching frequency (ΔVHF). We conclude that the principle difference in the relative stability between each isomeric pair is attributed to distinctive interaction of carbon and oxygen lone pairs of CO, carbon and nitrogen lone-pairs of CNH and NCH, and nitrogen and oxygen lone pairs of N2O and NHCO into the unfilled antibond on HF (σ*HF).Keywords: charge transfer, computational chemistry, isomeric hydrogen bond, natural bond orbital
Procedia PDF Downloads 24612678 Traffic Noise Study at Intersection in Bangalore: A Case Study
Authors: Shiva Kumar G.
Abstract:
The present study is to know the level of noises emanated from vehicles in intersections located in urban areas using Sound Level Meter and the possibility of reducing noise levels through traffic flow optimization. The main objective is to study traffic noise level of the Intersections located at on-going metro construction activities and which are away from metro construction activities. To compare traffic noise level between stop phase, go phase and drive phase at the Intersections. To study the effect of traffic noise level of directional movement of traffic and variation in noise level during day and night times. The range of Noise level observed at intersections is between 60 to 105 decibel. The noise level of stop and drive phases were minimum and almost same where go phase had maximum noise level. By comparing noise level of directional movement of traffic, it has been noticed that Vijayanagar intersection has no significant difference in their noise level and all other intersection has a significant difference in their noise level. By comparing noise level of stop, go and drive phase it has been noticed that there was a significant difference in noise level during peak hours compared to off-peak hour. By comparing noise level between Metro and Non-Metro construction activity intersections it has been noticed that there was a significant difference in noise level. By comparing noise level during day and night times, significant differences in noise level were observed at all intersections.Keywords: noise, metro and non-metro intersections, traffic flow optimization, stop-go and drive phase
Procedia PDF Downloads 46812677 Environmental Safety and Occupational Health Risk Assessment for Rocket Static Test
Authors: Phontip Kanlahasuth
Abstract:
This paper presents the environmental safety and occupational health risk assessment of rocket static test by assessing risk level from probability and severity and then appropriately applying the risk control measures. Before the environmental safety and occupational health measures are applied, the serious hazards level is 31%, medium level is 24% and low level is 45%. Once risk control measures are practically implemented, the serious hazard level can be diminished, medium level is 38%, low level is 45% and eliminated level is 17%. It is clearly shown that the environmental safety and occupational health measures can significantly reduce the risk level.Keywords: rocket static test, hazard, risk, risk assessment, risk analysis, environment, safety, occupational health, acceptable risk, probability, severity, risk level
Procedia PDF Downloads 58712676 The Level of Job Satisfaction among English as a Foreign Language Instructors
Authors: Hashem A. Alsamadani
Abstract:
Identifying the level of job satisfaction has many positive benefits for both the worker and employer. The purpose of the study was to examine the overall level of job satisfaction among English as a Foreign Language (EFL) instructors. During the past years, multiple methods were utilized to collect data to determine the level of job satisfaction among teachers. This study was conducted using survey research method. A questionnaire was coded and analyzed using the SPSS. The findings revealed that the overall level of job satisfaction among EFL instructors is high. The study recommended improving conditions of instructors working at public universities so as to gain a high level of job satisfaction and improve outcomes of the teaching-learning process.Keywords: job satisfaction, EFL teachers, Saudi Arabia, instruction
Procedia PDF Downloads 40712675 Determining the Octanol-Water Partition Coefficient for Armchair Polyhex BN Nanotubes Using Topological Indices
Authors: Esmat Mohammadinasab
Abstract:
The aim of this paper is to investigate theoretically and establish a predictive model for determination LogP of armchair polyhex BN nanotubes by using simple descriptors. The relationship between the octanol-water partition coefficient (LogP) and quantum chemical descriptors, electric moments, and topological indices of some armchair polyhex BN nanotubes with various lengths and fixed circumference are represented. Based on density functional theory (DFT) electric moments and physico-chemical properties of those nanotubes are calculated. The DFT method performed based on the Becke’s 3-parameter formulation with the Lee-Yang-Parr functional (B3LYP) method and 3-21G standard basis sets. For the first time, the relationship between partition coefficient and different properties of polyhex BN nanotubes is investigated.Keywords: topological indices, quantum descriptors, DFT method, nanotubes
Procedia PDF Downloads 33512674 A Systematic Review of Street-Level Policy Entrepreneurship Strategies in Different Political Contexts
Authors: Hui Wang, Huan Zhang
Abstract:
This study uses systematic review and qualitative comparative analysis methods to comprehensively inquire about the recent street-level policy entrepreneurship research, to identify the characteristics and lessons we can learn from 20 years of street-level policy entrepreneurship literature, and the relations between political contexts and street-level policy entrepreneurs’ strategies. Using data from a systematic review of street-level policy entrepreneurship literature, we identify the sub-components of different political contexts and core strategies of street-level policy entrepreneurs and estimate the configurational relations between different political settings and street-level policy entrepreneurs’ strategies. Our results show that street-level policy entrepreneurs display social acuity, define the problem, and build team strategies when policy or political streams dominate. Street-level policy entrepreneurs will use lead-by-example strategies when both policy and political streams dominate. Furthermore, street-level policy entrepreneurs will use bureaucratic strategies, even if no stream dominates in the political context.Keywords: policy entrepreneurs, qualitative comparative analysis, street-level bureaucracy, systematic review
Procedia PDF Downloads 11112673 Measurement of Susceptibility Users Using Email Phishing Attack
Authors: Cindy Sahera, Sarwono Sutikno
Abstract:
Rapid technological developments also have negative impacts, namely the increasing criminal cases based on technology or cybercrime. One technique that can be used to conduct cybercrime attacks are phishing email. The issue is whether the user is aware that email can be misused by others so that it can harm the user's own? This research was conducted to measure the susceptibility of selected targets against email abuse. The objectives of this research are measurement of targets’ susceptibility and find vulnerability in email recipient. There are three steps being taken in this research, (1) the information gathering phase, (2) the design phase, and (3) the execution phase. The first step includes the collection of the information necessary to carry out an attack on a target. The next step is to make the design of an attack against a target. The last step is to send phishing emails to the target. The levels of susceptibility are three: level 1, level 2 and level 3. Level 1 indicates a low level of targets’ susceptibility, level 2 indicates the intermediate level of targets’ susceptibility, and level 3 indicates a high level of targets’ susceptibility. The results showed that users who are on level 1 and level 2 more that level 3, which means the user is not too careless. However, it does not mean the user to be safe. There are still vulnerabilities that may occur, such as automatic location detection when opening emails and automatic downloaded malware as user clicks a link in the email.Keywords: cybercrime, email phishing, susceptibility, vulnerability
Procedia PDF Downloads 28712672 The Factors that Effect to User Satisfaction of Information System in Bangkok Hospital
Authors: Somchai Buaroong
Abstract:
This research attempted to study information system success in dimensions of the user satisfaction level and to find the association between the independent factors of the user experiences, user knowledge, and user attitude. The study sample was selected using simple random sampling that comprised of 190 users who had used the Bangkok HIS. The data were reported from 165 questionnaires. The results found that the user satisfaction was at a moderate level, user satisfaction on the information quality and system quality was at a moderate level, while satisfaction on service quality was at a high level. The computer knowledge of the user was at a moderate level, and the user attitude was at a positive level. The participation of the user was at a low level and the participation in decision and in evaluation was at a low level; however participation in implementation and in benefit was at a moderate.Keywords: information system success, hospital information system, user attitude, user satisfaction
Procedia PDF Downloads 32012671 Recombination Center Levels in Gold and Platinum Doped N-type Silicon for High-Speed Thyristor
Authors: Nam Chol Yu, GyongIl Chu, HoJong Ri
Abstract:
Using DLTS (Deep-level transient spectroscopy) measurement techniques, we determined the dominant recombination center levels (defects of both A and B) in gold and platinum doped n-type silicon. Also, the injection and temperature dependence of the Shockley-Read-Hall (SRH) carrier lifetime was studied under low-level injection and high-level injection. Here measurements show that the dominant level under low-level injection located at EC-0.25 eV (A) correlated to the Pt+G1 and the dominant level under high-level injection located at EC-0.54 eV (B) correlated to the Au+G4. Finally, A and B are the same dominant levels for controlling the lifetime in gold-platinum doped n-silicon.Keywords: recombination center level, lifetime, carrier lifetime control, Gold, Platinum, Silicon
Procedia PDF Downloads 6812670 Forecasting the Sea Level Change in Strait of Hormuz
Authors: Hamid Goharnejad, Amir Hossein Eghbali
Abstract:
Recent investigations have demonstrated the global sea level rise due to climate change impacts. In this study climate changes study the effects of increasing water level in the strait of Hormuz. The probable changes of sea level rise should be investigated to employ the adaption strategies. The climatic output data of a GCM (General Circulation Model) named CGCM3 under climate change scenario of A1b and A2 were used. Among different variables simulated by this model, those of maximum correlation with sea level changes in the study region and least redundancy among themselves were selected for sea level rise prediction by using stepwise regression. One models of Discrete Wavelet artificial Neural Network (DWNN) was developed to explore the relationship between climatic variables and sea level changes. In these models, wavelet was used to disaggregate the time series of input and output data into different components and then ANN was used to relate the disaggregated components of predictors and predictands to each other. The results showed in the Shahid Rajae Station for scenario A1B sea level rise is among 64 to 75 cm and for the A2 Scenario sea level rise is among 90 to 105 cm. Furthermore the result showed a significant increase of sea level at the study region under climate change impacts, which should be incorporated in coastal areas management.Keywords: climate change scenarios, sea-level rise, strait of Hormuz, forecasting
Procedia PDF Downloads 27112669 Theoretical and Computational Investigation of PCBM and PC71BM Derivatives using the DFT Method
Authors: Zair Mohammed El Amine, Chemouri Hafida, Derbal Habak Hassina
Abstract:
Organic photovoltaic cells are electronic devices that convert sunlight into electricity. To this end, the number of studies on organic photovoltaic cells (OVCs) is growing, and this trend is expected to continue. Computational studies are still needed to verify and prove the capability of CVOs, specifically the nanometer molecule PCBM, based on successful experimental results. In this paper, we present a theoretical and computational investigation of PCBM and PC71BM derivatives using the DFT method. On this basis, we employ independent and time-dependent density theories. HOMO, LUMO and GAPH-L energies, ionization potentials and electronic affinity are determined and found to be in agreement with experiments. Using DFT theory based on B3LYP and M062X methods with bases 6-31G (d,p) and 6-311G (d), calculations show that the most efficient acceptors are presented in the group of PC71BM derivatives and are in substantial agreement with experiments. The geometries of the structures are optimized by Gaussian 09.Keywords: PCBM, P3HT, organic cell solar, DFT, TD-DFT
Procedia PDF Downloads 8612668 The Grinding Influence on the Strength of Fan-Out Wafer-Level Packages
Authors: Z. W. Zhong, C. Xu, W. K. Choi
Abstract:
To build a thin fan-out wafer-level package, the package had to be ground to a thin level. In this work, the influence of the grinding processes on the strength of the fan-out wafer-level packages was investigated. After different grinding processes, all specimens were placed on a three-point-bending fixture installed on a universal tester for three-point-bending testing, and the strength of the fan-out wafer-level packages was measured. The experiments revealed that the average flexure strength increased with the decreasing surface roughness height of the fan-out wafer-level package tested. The grinding processes had a significant influence on the strength of the fan-out wafer-level packages investigated.Keywords: FOWLP strength, surface roughness, three-point bending, grinding
Procedia PDF Downloads 27812667 Atomic Clusters: A Unique Building Motif for Future Smart Nanomaterials
Authors: Debesh R. Roy
Abstract:
The fundamental issue in understanding the origin and growth mechanism of nanomaterials, from a fundamental unit is a big challenging problem to the scientists. Recently, an immense attention is generated to the researchers for prediction of exceptionally stable atomic cluster units as the building units for future smart materials. The present study is a systematic investigation on the stability and electronic properties of a series of bimetallic (semiconductor-alkaline earth) clusters, viz., BxMg3 (x=1-5) is performed, in search for exceptional and/ or unusual stable motifs. A very popular hybrid exchange-correlation functional, B3LYP as proposed by A. D. Becke along with a higher basis set, viz., 6-31+G[d,p] is employed for this purpose under the density functional formalism. The magic stability among the concerned clusters is explained using the jellium model. It is evident from the present study that the magic stability of B4Mg3 cluster arises due to the jellium shell closure.Keywords: atomic clusters, density functional theory, jellium model, magic clusters, smart nanomaterials
Procedia PDF Downloads 52812666 Three-Stage Mining Metals Supply Chain Coordination and Product Quality Improvement with Revenue Sharing Contract
Authors: Hamed Homaei, Iraj Mahdavi, Ali Tajdin
Abstract:
One of the main concerns of miners is to increase the quality level of their products because the mining metals price depends on their quality level; however, increasing the quality level of these products has different costs at different levels of the supply chain. These costs usually increase after extractor level. This paper studies the coordination issue of a decentralized three-level supply chain with one supplier (extractor), one mineral processor and one manufacturer in which the increasing product quality level cost at the processor level is higher than the supplier and at the level of the manufacturer is more than the processor. We identify the optimal product quality level for each supply chain member by designing a revenue sharing contract. Finally, numerical examples show that the designed contract not only increases the final product quality level but also provides a win-win condition for all supply chain members and increases the whole supply chain profit.Keywords: three-stage supply chain, product quality improvement, channel coordination, revenue sharing
Procedia PDF Downloads 18312665 Urbanization Level and Tempo (Speed) in Tigray Regional State, Ethiopia
Authors: Fikre Belay Tekulu
Abstract:
Background and objective: The study attempts to determine the level and tempo or speed of urbanization in the Tigray regional state based on census data from 1994 to 2013 in Ethiopia. Methods: The study examined the level and tempo of urbanization based on the 1994 and 2007 censuses as well as the 2013 CSA projection data. Findings: The level of urbanization at the regional level was found in 1994, 2007, and 2020 at 14.9%, 21.7%, and 27.7 % respectively. Whereas the level of urbanization varies among the zones of the region, the higher level of urbanization was recorded in the Eastern zone, followed by the Western, Southern Zone and Central zone of Tigray. The tempo or speed of urbanization was determined to be 0.49 percent per year at the regional level, with the Eastern area of Tigray showing the greatest tempo or speed of urbanization. Conclusions: Unbalanced urbanization among the zones results in socio-economic challenges. The study recommended several policy interventions aimed at judicious urbanization suitable for sustainable development.Keywords: urbanization, census, tempo or speed, urbanization level, Tigray
Procedia PDF Downloads 3312664 Origin of Hydrogen Bonding: Natural Bond Orbital Electron Donor-Acceptor Interactions
Authors: Mohamed Ayoub
Abstract:
We perform computational investigation using density functional theory, B3LYP with aug-cc-pVTZ basis set followed by natural bond orbital analysis (NBO), which provides best single “natural Lewis structure” (NLS) representation of chosen wavefunction (Ψ) with natural resonance theory (NRT) to provide an analysis of molecular electron density in terms of resonance structures (RS) and weights (w). We selected for the study a wide range of gas phase dimers (B…HA), with hydrogen bond dissociation energies (ΔEB…H) that span more than two orders of magnitude. We demonstrate that charge transfer from a donor Lewis-type NBO (nB:) to an acceptor non-Lewis-type NBO (σHA*) is the primary cause for H-bonding not classical electrostatic (dipole-dipole or ionic). We provide a variety of structure, and spectroscopic descriptors to support the conclusion, such as IR frequency shift (ΔνHA), H-bond penetration distance (ΔRB..H), bond order (bB..H), charge-transfer (CTB→HA) and the corresponding donor-acceptor stabilization energy (ΔE(2)).Keywords: natural bond orbital, hydrogen bonding, electron donor, electron acceptor
Procedia PDF Downloads 43612663 Topological Analysis of Hydrogen Bonds in Pyruvic Acid-Water Mixtures
Authors: Ferid Hammami
Abstract:
The molecular geometries of the possible conformations of pyruvic acid-water complexes (PA-(H₂O)ₙ = 1- 4) have been fully optimized at DFT/B3LYP/6-311G ++ (d, p) levels of calculation. Among several optimized molecular clusters, the most stable molecular arrangements obtained when one, two, three, and four water molecules are hydrogen-bonded to a central pyruvic acid molecule are presented in this paper. Apposite topological and geometrical parameters are considered as primary indicators of H-bond strength. Atoms in molecules (AIM) analysis shows that pyruvic acid can form a ring structure with water, and the molecular structures are stabilized by both strong O-H...O and C-H...O hydrogen bonds. In large clusters, classical O-H...O hydrogen bonds still exist between water molecules, and a cage-like structure is built around some parts of the central molecule of pyruvic acid. The electrostatic potential energy map (MEP) and the HOMO-LUMO molecular orbital (highest occupied molecular orbital-lowest unoccupied molecular orbital) analysis has been performed for all considered complexes.Keywords: pyruvic acid, PA-water complex, hydrogen bonding, DFT, AIM, MEP, HOMO-LUMO
Procedia PDF Downloads 21412662 Flood Control Structures in the River Göta Älv to Protect Gothenburg City (Sweden) during the 21st Century: Preliminary Evaluation
Authors: M. Irannezhad, E. H. N. Gashti, U. Moback, B. Kløve
Abstract:
Climate change because of increases in concentration level of greenhouse gases emissions to the atmosphere will result in mean sea level rise about +1 m by 2100. To prevent coastal floods resulted from the sea level rising, different flood control structures have been built, e.g. the Thames barrier on the Thames River in London (UK), with acceptable protection levels at least so far. Gothenburg located on the southwest coast of Sweden, with the River Göta älv running through it, is one of vulnerable cities to the accelerated rises in mean sea level. Developing a water level model by MATLAB, we evaluated using a sea barrage in the Göta älv River as the flood control structure for protecting the Gothenburg city during this century. Considering three operational scenarios for two barriers in upstream and downstream, the highest sea level was estimated to + 2.95 m above the current mean sea level by 2100. To verify flood protection against such high sea levels, both barriers have to be closed. To prevent high water level in the River Göta älv reservoir, the barriers would be open when the sea level is low. The suggested flood control structures would successfully protect the city from flooding events during this century.Keywords: climate change, flood control structures, gothenburg, sea level rising, water level mode
Procedia PDF Downloads 35512661 Coordination Behavior, Theoretical Studies, and Biological Activity of Some Transition Metal Complexes with Oxime Ligands
Authors: Noura Kichou, Manel Tafergguenit, Nabila Ghechtouli, Zakia Hank
Abstract:
The aim of this work is to synthesize, characterize and evaluate the biological activity of two Ligands : glyoxime and dimethylglyoxime, and their metal Ni(II) chelates. The newly chelates were characterized by elemental analysis, IR, EPR, nuclear magnetic resonances (1H and 13C), and biological activity. The antibacterial and antifungal activities of the ligands and its metal complexes were screened against bacterial species (Staphylococcus aureus, Bacillus subtilis, and Escherichia coli) and fungi (Candida albicans). Ampicillin and amphotericin were used as references for antibacterial and antifungal studies. The activity data show that the metal complexes have a promising biological activity comparable with parent free ligand against bacterial and fungal species. A structural, energetic, and electronic theoretical study was carried out using the DFT method, with the functional B3LYP and the gaussian program 09. A complete optimization of geometries was made, followed by a calculation of the frequencies of the normal modes of vibration. The UV spectrum was also interpreted. The theoretical results were compared with the experimental data.Keywords: glyoxime, dimetylglyoxime, nickel, antibacterial activity
Procedia PDF Downloads 10612660 Coordination Behavior, Theoretical studies and Biological Activity of Some Transition Metal Complexes with Oxime Ligands
Authors: Noura Kichou, Manel Tafergguenit, Nabila Ghechtouli, Zakia Hank
Abstract:
The aim of this work is to synthesize, characterize and evaluate the biological activity of two Ligands: glyoxime and dimethylglyoxime, and their metal Ni(II) chelates. The newly chelates were characterized by elemental analysis, IR, EPR, nuclear magnetic resonances (1H and 13C), and biological activity. The antibacterial and antifungal activities of the ligands and its metal complexes were screened against bacterial species (Staphylococcus aureus, Bacillus subtilis, and Escherichia coli) and fungi (Candida albicans). Ampicillin and amphotericin were used as references for antibacterial and antifungal studies. The activity data show that the metal complexes have a promising biological activity comparable with parent free ligand against bacterial and fungal species. A structural, energetic, and electronic theoretical study was carried out using the DFT method, with the functional B3LYP and the gaussian program 09. A complete optimization of geometries was made, followed by a calculation of the frequencies of the normal modes of vibration. The UV spectrum was also interpreted. The theoretical results were compared with the experimental data.Keywords: glyoxime, dimetylglyoxime, nickel, antibacterial activity
Procedia PDF Downloads 11212659 Impact of Climate Change on Water Level and Properties of Gorgan Bay in the Southern Caspian Sea
Authors: Siamak Jamshidi
Abstract:
The Caspian Sea is the Earth's largest inland body of water. One of the most important issues related to the sea is water level changes. For measuring and recording Caspian Sea water level, there are at least three gauges and radar equipment in Anzali, Nowshahr and Amirabad Ports along the southern boundary of the Caspian Sea. It seems that evaporation, hotter surface air temperature, and in general climate change is the main reasons for its water level fluctuations. Gorgan Bay in the eastern part of the southern boundary of the Caspian Sea is one of the areas under the effect of water level fluctuation. Based on the results of field measurements near the Gorgan Bay mouth temperature ranged between 24°C–28°C and salinity was about 13.5 PSU in midsummer while temperature changed between 10-11.5°C and salinity mostly was 15-16.5 PSU in mid-winter. The decrease of Caspian Sea water level and rivers outflow are the two most important factors for the increase in water salinity of the Gorgan Bay. Results of field observations showed that, due to atmospheric factors, climate changes and decreasing of precipitation over the southern basin of the Caspian Sea during last decades, the water level of bay was reduced around 0.5 m.Keywords: Caspian Sea, Gorgan Bay, water level fluctuation, climate changes
Procedia PDF Downloads 17012658 From Manipulation to Citizen Control: A Case Study Revealing the Level of Participation in the Citizen Participatory Audit
Authors: Mark Jason E. Arca, Jay Vee R. Linatoc, Rex Francis N. Lupango, Michael Joe A. Ramirez
Abstract:
Participation promises an avenue for citizens to take part in governance, but it does not necessarily mean effective participation. The proper integration of participants in the decision-making process should be properly addressed to ensure effectiveness. This study explores the integration of the participants in the decision-making process to reveal the level of participation in the Solid Waste Management audit done by the Citizen Participatory Audit (CPA), a program under the supervision of the Commission on Audit. Specifically, this study will use the experience of participation to identify emerging themes that will help reveal the level of participation through the integrated ladder of participation. The researchers used key informant interviews to gather necessary data from the actors of the program. The findings revealed that the level of participation present in the CPA is at the Placation level, a level below the program’s targeted level of participation. The study also allowed the researchers to reveal facilitating factors in the program that contributed to a better understanding of the practice of participation.Keywords: citizen participation, culture of participation, ladder of participation, level of participation
Procedia PDF Downloads 41112657 Recombination Center Levels in Gold and Platinum Doped N-Type Silicon
Authors: Nam Chol Yu, Kyong Il Chu
Abstract:
Using DLTS measurement techniques, we determined the dominant recombination center levels (defects of both A and B) in gold and platinum doped n-type silicon. Also, the injection and temperature dependence of the Shockley-Read-Hall (SRH) carrier lifetime was studied under low-level injection and high-level injection. Here measurements show that the dominant level under low-level injection located at EC-0.25eV(A) correlated to the Pt+G1 and the dominant level under high-level injection located at EC-0.54eV(B) correlated to the Au+G4. Finally, A and B are the same dominant levels for controlling the lifetime in gold-platinum doped n-silicon.Keywords: recombination center level, lifetime, carrier lifetime control, gold, platinum, silicon
Procedia PDF Downloads 15512656 Structure of Consciousness According to Deep Systemic Constellations
Authors: Dmitry Ustinov, Olga Lobareva
Abstract:
The method of Deep Systemic Constellations is based on a phenomenological approach. Using the phenomenon of substitutive perception it was established that the human consciousness has a hierarchical structure, where deeper levels govern more superficial ones (reactive level, energy or ancestral level, spiritual level, magical level, and deeper levels of consciousness). Every human possesses a depth of consciousness to the spiritual level, however deeper levels of consciousness are not found for every person. It was found that the spiritual level of consciousness is not homogeneous and has its own internal hierarchy of sublevels (the level of formation of spiritual values, the level of the 'inner observer', the level of the 'path', the level of 'God', etc.). The depth of the spiritual level of a person defines the paradigm of all his internal processes and the main motives of the movement through life. At any level of consciousness disturbances can occur. Disturbances at a deeper level cause disturbances at more superficial levels and are manifested in the daily life of a person in feelings, behavioral patterns, psychosomatics, etc. Without removing the deepest source of a disturbance it is impossible to completely correct its manifestation in the actual moment. Thus a destructive pattern of feeling and behavior in the actual moment can exist because of a disturbance, for example, at the spiritual level of a person (although in most cases the source is at the energy level). Psychological work with superficial levels without removing a source of disturbance cannot fully solve the problem. The method of Deep Systemic Constellations allows one to work effectively with the source of the problem located at any depth. The methodology has confirmed its effectiveness in working with more than a thousand people.Keywords: constellations, spiritual psychology, structure of consciousness, transpersonal psychology
Procedia PDF Downloads 24912655 Rapides-Des-Îles Main Spillway - Rehabilitation
Authors: Maryam Kamali Nezhad
Abstract:
As part of the project to rehabilitate the main spillway ("main") of the Rapides-des-Îles development in 2019, it was noted that there is a difference between the water level of the intake gauge and the level measured at the main spillway. The Rapides-des-Îles Generating Station is a Hydro-Québec hydroelectric generating station and dam located on the Ottawa River in the Abitibi-Témiscamingue administrative region of Québec. This plant, with an installed capacity of 176 MW, was commissioned in 1966. During the start-up meeting held at the site in May 2019, it was noticed that the water level upstream of the main spillway was considerably higher than the water level at the powerhouse intake. Measurements showed that the level was 229.46 m, whereas the normal operating level (NOL) and the critical maximum level (CML) used in the design were 228.60 m and 229.51 m, respectively. Considering that the water level had almost reached the maximum critical level of the structure despite a flood with a recurrence period of about 100 years, the work was suspended while the project was being decided. This is the first time since the Rapides des îles project was commissioned that a significant difference in elevation between the water level at the powerhouse (intake) and the main spillway has been observed. Following this observation, the contractor's work was suspended. The objective of this study is to identify the reason(s) for this problem and find solutions. Then determine the new upstream levels at the main spillway at which the safety of the structure is ensured and then adjust the engineering of the main spillway in the rehabilitation project accordingly.Keywords: spillway, rehabilitation, water level, powerhouse, normal operating level, critical maximum level, safety of the structure
Procedia PDF Downloads 7312654 Three-Level Converters Back-To-Back DC Bus Control for Torque Ripple Reduction of Induction Motor
Authors: T. Abdelkrim, K. Benamrane, B. Bezza, Aeh Benkhelifa, A. Borni
Abstract:
This paper proposes a regulation method of back-to-back connected three-level converters in order to reduce the torque ripple in induction motor. First part is dedicated to the presentation of the feedback control of three-level PWM rectifier. In the second part, three-level NPC voltage source inverter balancing DC bus algorithm is presented. A theoretical analysis with a complete simulation of the system is presented to prove the excellent performance of the proposed technique.Keywords: back-to-back connection, feedback control, neutral-point balance, three-level converter, torque ripple
Procedia PDF Downloads 49612653 Blockchain Solutions for IoT Challenges: Overview
Authors: Amir Ali Fatoorchi
Abstract:
Regardless of the advantage of LoT devices, they have limitations like storage, compute, and security problems. In recent years, a lot of Blockchain-based research in IoT published and presented. In this paper, we present the Security issues of LoT. IoT has three levels of security issues: Low-level, Intermediate-level, and High-level. We survey and compare blockchain-based solutions for high-level security issues and show how the underlying technology of bitcoin and Ethereum could solve IoT problems.Keywords: Blockchain, security, data security, IoT
Procedia PDF Downloads 210