Promoting the production of industrially important aromatic chloroamines over transition-metal nitrides catalysts has emerged as a prominent theme in catalysis. This contribution provides an insight into the reduction mechanism of p-chloronitrobenzene (p-CNB) to p-chloroaniline (p-CAN) over the γ-Mo2N(111) surface by means of density functional theory calculations. The adsorption energies of various molecularly adsorbed modes of p-CNB were computed. Our findings display that, p-CNB prefers to be adsorbed over two distinct adsorption sites, namely, Mo-hollow face-centered cubic (fcc) and N-hollow hexagonal close-packed (hcp) sites with adsorption energies of −32.1 and −38.5 kcal/mol, respectively. We establish that the activation of nitro group proceeds through direct pathway along with formation of several reaction intermediates. Most of these intermediaries reside in a significant well-depth in reference to the entrance channel. Central to the constructed mechanism is H-transfer steps from fcc and hcp hollow sites to the NO/–NH groups through modest reaction barriers. Our computed rate constant for the conversion of p-CNB correlates very well with the experimental finding (0.018 versus 0.033 s–1 at ∼500 K). Plotted species profiles via a simplified kinetics model confirms the experimentally reported high selectivity toward the formation of p-CAN at relatively low temperatures. It is hoped that thermokinetics parameters and mechanistic pathways provided herein will afford a molecular level understanding for γ-Mo2N-mediated conversion of halogenated nitrobenzenes into their corresponding nitroanilines; a process that entails significant industrial applications.
In the pandemic era of COVID19, software engineering and artificial intelligence tools played a major role in monitoring, managing, and predicting the spread of the virus. According to reports released by the World Health Organization, all attempts to prevent any form of infection are highly recommended among people. One side of avoiding infection is requiring people to wear face masks. The problem is that some people do not incline to wear a face mask, and guiding them manually by police is not easy especially in a large or public area to avoid this infection. The purpose of this paper is to construct a software tool called Face Mask Detection (FMD) to detect any face that does not wear a mask in a specific
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BACKGROUND: Burkholderia cepacia adhesion and biofilm formation onto abiotic surfaces is an important feature of clinically relevant isolates. The in vitro biofilm formation of B. cepacia onto coated indwelling urinary catheters (IDCs) with moxifloxacin has not been previously investigated. OBJECTIVES: To examine the ability of B. cepacia to form biofilms on IDCs and the effect of coating IDCs with moxifloxacin on biofilm formation by B. cepacia in vitro. MATERIAL AND METHODS: The adhesion of B. cepacia to coated and uncoated IDCs with moxifloxacin was evaluated. Pieces of IDCs were coated with moxifloxacin (adsorption method). The spectrophotometric method was used to check moxifloxacin leaching into tubes. Coated and uncoated tubes were i
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The main focus of this research is to examine the Travelling Salesman Problem (TSP) and the methods used to solve this problem where this problem is considered as one of the combinatorial optimization problems which met wide publicity and attention from the researches for to it's simple formulation and important applications and engagement to the rest of combinatorial problems , which is based on finding the optimal path through known number of cities where the salesman visits each city only once before returning to the city of departure n this research , the benefits of( FMOLP) algorithm is employed as one of the best methods to solve the (TSP) problem and the application of the algorithm in conjun
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The technique of integrate complimentary details from two or more input images is known as image fusion. The fusion image is more informational and will be complete more than any of the original input images. This paper Illustrates implementation and evaluation of fusion techniques used on the Satellite images a high-resolution Panchromatic (Pan) and Multispectral (MS). A new algorithm is proposed to fuse a Pan and MS of the lowresolution images based on combining IHS and Haar wavelet transform.Firstly, this paper clarifies the classical fusion by using IHS transform and Haar wavelet transform individually. Secondly proposition new strategy of combining the two methods. Performance of the proposed method is evalua
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In this study, we investigate the run length properties for the EWMA charts with time - varying control limits, and fast initial Response (FIR), for monitoring the mean of a normal process with a known standard deviation , by using non - homogeneous markov chain approach.
“Smart city” projects have become fully developed and are actively using video analytics. Our study looks at how video analytics from surveillance cameras can help manage urban areas, making the environment safer and residents happier. Every year hundreds of people fall on subway and railway lines. The causes of these accidents include crowding, fights, sudden health problems such as dizziness or heart attacks, as well as those who intentionally jump in front of trains. These accidents may not cause deaths, but they cause delays for tens of thousands of passengers. Sometimes passers-by have time to react to the event and try to prevent it, or contact station personnel, but computers can react faster in such situations by using ethical
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The permeability determination in the reservoirs that are anisotropic and heterogeneous is a complicated problem due to the limited number of wells that contain core samples and well test data. This paper presents hydraulic flow units and flow zone indicator for predicting permeability of rock mass from core for Nahr-Umr reservoir/ Subba field. The Permeability measurement is better found in the laboratory work on the cored rock that taken from the formation. Nahr-Umr Formation is the main lower cretaceous sandstone reservoir in southern of Iraq. This formation is made up mainly of sandstone. Nahr-Umr formation was deposited on a gradually rising basin floor. The digenesis of Nahr-Umr sediments is very important du
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