Analysis of Vibrational Spectra of 2-Amino-5-Bromo-4-Methylpyridine Based on Ab Initio and Density Functional Theory Calculations
Theoretical studies were conducted on the molecular structure and vibrational spectra of 2-amino-5-bromo-4-methylpyridine (ABMP). The FT-IR and FT-Raman spectra of ABMP were recorded in the solid phase. The molecular geometry and vibrational frequencies of ABMP in the ground state have been calculated by using the ab initio HF (Hartree-Fock) /6-311+G(d,p) and density functional methods (B3LYP) invoking 6-311+G(d,p)/6-311++G(d,p) basis set. The optimized geometric bond lengths and bond angles obtained by HF method show best agreement with the experimental values. Comparison of the observed fundamental vibrational frequencies of ABMP with calculated results by HF and density functional methods indicates that B3LYP is superior to the scaled Hartree-Fock approach for molecular vibrational problems. The difference between the observed and scaled wave number values of most of the fundamentals is very small. A detailed interpretation of the FT-IR and FT- Raman, NMR spectra of ABMP was also reported. NBO analysis has been performed in order to elucidate charge transfers or conjugative interaction, the intra-molecule rehybridization and delocalization of electron density within the molecule. UV–vis spectrum of the compound was recorded and the electronic properties, such as HOMO and LUMO energies, were performed by time dependent density functional theory (TD-DFT) approach. Finally the calculations results were applied to simulated infrared and Raman spectra of the title compound which show good agreement with observed spectra.
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Approach on the liquid annual throughputs of the hydrometric station of three rivers of the area of Mascara (Algeria)
This research is the analysis of the erosion and degradation of specific annual average watershed feeding the old dam seriously threatened by the phenomenon of siltation of western Algeria and covering area of 7685 Km2 various lithological formations. The importance of suspended sediment resulting in a rapid filling of the reservoir, significantly reducing the life of the dam. Discontinuity or absence of vegetation cover promotes surface runoff due to the high rainfall intensity. It seems clear that the evolution of the siltation dam is given as a function of several parameters that are geology, lithology and flow regime and vegetation cover. It is therefore important that the rainfall intensity and violence of flood relief very little vegetation cover causes very pronounced erosion in the watershed of western Algeria. For this purpose the objective of this work emphasizes Galton's law for estimating the different flood several years Used the law significantly reduces the sampling error. This allows us a more accurate estimate of the probability level observations. Keywords: erosion, hydrology, flood, statistics, Mascara, Algeria
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Assessment of environmental impact identification and mitigation measures in urban developments, Kenya
Environmental Impact Assessment process is vital in preventing adverse environmental impacts thus ensuring sustainable development. However, while EIA has been embedded within the development planning processes in many countries, quality EIA reports have not been produced in developing countries. Despite EIA being carried out on most development projects there still remains the challenge on the quality of EIA reports that are being written by environmental experts. It’s for this reason that the study evaluates the effectiveness of mitigation in Kenya’s EIA process for selected urban projects in Kisumu City to investigate the quality of EIA reports in terms of impact identification and proposed mitigation measures, the level of implementation of mitigation measures for the selected projects and the utility of EIA mitigation conceptual model in enhancing the effectiveness of mitigation in EIA. A cross-sectional design was adopted to collect and analyse data. Data from thirty (30) EIA reports conducted between 1999 and 2016 were purposively sampled to provide information about the quality of EIA reports in terms of environmental impact identification and proposed mitigation measures. The modified EIS quality review package and mitigation guidelines were used to gather and grade the quality of EIA reports in terms of the impacts and mitigation measures. Regarding the practical implementation of mitigation measures proposed in the reviewed EIA reports, three purposively selected EIA projects, environmental managers, local communities surrounding them and field observations provided the required data. The key findings of this study reveal that the deficiency in the EIA reports quality is attributed to a number of factors. These factors include, Inadequate baseline data and access to data, inadequate time given for EIA study, attitude of consultants and proponents, the commercial interest of consultants and proponents, a lack of EIA experts, lack of adequate funds, weak TORs, and lack of adequate EIA stakeholders. The results also reveal that time and financial resources are among the main driving forces of EIA Quality. The study concludes that lack of adequate funds is the main factor affecting the quality of EIA reports in Kisumu City. The study recommends that improvements to impact identification in EIA reports will enhance the mitigation measures proposed. It’s also clear from the findings that when the impacts are poorly identified, subsequent mitigation measures proposed are also poor. In cases where the EIA reports were graded unsatisfactory in terms of identified impacts, the proposed mitigation measures were equally unsatisfactory as they addressed wrong impacts.
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Biological spectrum of the flora of Ajmer sand dunes
Analysis of life forms of the vegetation of Ajmer (Rajasthan) was carried out based on the data collected from the field. The biological spectrum of Ajmer (covering different habitats in and around Ajmer) represent 7% phanerophytes, 10% nanophanerophytes, 16% chamaephytes and 20% hemiscryptophytes, geophytes are 6% while therophytes forms the largest class of total flora. Lianas are a poorly represented class with 2% of the total flora. According to life form classification, the plant communities are regarded as therophytic, which is a characteristic feature of vegetation in desert and semi desert condition of Rajasthan.
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Blockchain for Real Estate Industry
Blockchain technology is one of the latest technologies on the horizon and has evolved over the last 7-10 years. There is tremendous potential for usage of Blockchain technology in today’s Real Estate industry. This paper aims to analyze the disruptive power of Blockchain digital technologies in real estate industry. This paper will start with an introduction of the blockchain technology and high-level technical overview. It will then go on to discuss the various benefits the Real Estate industry can reap from this technology. It will also put forth various use cases or opportunities in the Real Estate sector for this technology. In the end, the paper will also discuss the present-day limitations and the questions marks over this technology in relation to its usage for the Real Estate industry.
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Cloud computing: The next Era of Ente rprise IT
The paper is about cloud computing which focus on understanding the entire scope of the entire cloud computing spectrum from storage to security. In this paper, cloud computing is presented as an emerging business model, taking in view its evolution and its changing approach in society and reinvention of present technologies in commercial ways. It highlights this technology as certainly a compelling alternative to running all applications within a traditional corporate data centre and its distinctive features in terms of its architecture, models, reliability which are helping IT enterprise professionals to maximize performance, minimize cost and improve the scalability of their Enterprise IT endeavors.
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Complications of arthroscopy
Arthroscopy is a surgical procedure. Complications are rare, but they exist and require specific treatment. Knowledge, prevention and management of complications are part of the mastery of a surgical technique.
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Design of an embedded remote electronic measurement system for distance learning
Distance learning over the past several years has gained in popularity not only as a way to offer instruction in locations without local expertise, but also as a cost effective method where limited enrollment at one location would not normally warrant offering the course. In this paper, we use the embedded board with interface module to implement a remote electronic measurement system which includes the power supply, signal generator and oscilloscope. This design uses an embedded board to replace a computer, since the embedded board has the advantage of being easily carried, a real-time operation, a low cost, and programmable. In addition users can operate this measurement system with the help of the operating system and the TCP/IP modules to connect to the Internet. By using the on board operating system, our design provides the step by step function to help user operate, such as keying in the waveform parameters with the embedded board keyboard, providing the waveforms and then connecting the circuit to the embedded electronic measurement system. This design can also show the waveform measured by the embedded measurement system in the embedded board LCM (Liquid Crystal Monitor). Because the file size of measured waveforms is very small around 1 KB, the prototype system show that the main delay time to receive the measurement waveform at the server site from the client site is within 2.5 seconds In the server, the observers can observe many waveforms from the different clients. If the client’s waveform is error, the observer can also send the required waveforms to the client’s embedded measurement system and input these waveforms to the testing circuits and re-observe the circuit measurement and help the user to debug.
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Detection of Brain Tumor of Fetus Edge –Detection on MR Images and Implementation on FPGA
This paper presents a proposal of detection of brain tumor of fetus through its MRI image during 25-27 week of pregnancy. This detection is based on edge detection technique and its implementation on FPGA. For FPGA implementation use MATLAB/SIMULINK graphical user interface with Xilinx System Generator which is the integrated design environment for FPGA within ISE11.3 design suit.
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DFT and NBO analysis of Self Assembly Material Isobutyltrimethoxy Silane and formation of SAM
In this work, we report a combined experimental and theoretical study on molecular structure, vibrational spectra and NBO analysis of Isobutyltrimethoxylsilane. Density functional theory (DFT),B3LYP/6-311++G (d,p) basis set was used for the optimization of the ground state geometry and simulation of the Infrared and Raman spectra of this molecule. Calculated geometrical parameters fit very well with the experimental ones.The Self Assembled Monolayer of Isobutyltrimethoxylsilane on Si/SiO2 substrate was prepared and the resulting surface was studied using AFM.
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