Single-crystal X-ray diffraction study of novel pyrazole chalcone derived from 1-phenyl-3-p-tolyl-1H-pyrazole-4-carbaldehyde

143-146Novel pyrazole chalcone has been synthesized by reaction of phenyl-3-p-tolyl-1H-pyrazole-4-carbaldehyde and acetophenone by Claisen-Schmidt reaction in ethanol by microwave assisted method. It has been characterized by elemental analysis and spectroscopic (FTIR, 1H NMR and MS) studies. Crystal structure of the compound has been determined using single-crystal X-ray diffraction. Hydrogen-bonded chain is formed by C–H···O bonding enhanced by C–H···π interaction. Adjacent chains are connected through the π∙∙∙π interactions

Aqueous phase synthesis, crystal structure and antimicrobial activity of 4-(substituted phenylazo)-3-methyl-4H-isoxazol-5-one azo dyes

3-Methyl-4H-isoxazol-5-one was synthesized at room temperature by simple stirring method from ethyl acetoacetate and hydroxylamine hydrochloride in aqueous medium and coupled with diazotized substituted amine to form series of 4-(substituted phenylazo)-3-methyl-4H-isoxazol-5-ones through green chemistry. All the compounds formed were characterized by IR, 1H and 13C NMR spectroscopy, MS and elemental analysis. Crystal structure of novel 4-(4-fluorophenylazo)-3-methyl-4H-isoxazol-5-one was determined by the X-ray diffraction. Antibacterial and antifungal activity was studied against Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, Staphylococcus pyogenus and Candida albicans, Aspergillus niger, Aspergillus clavatus, respectively. All synthesized compounds were found to be active against a gram-positive bacterium Staphylococcus aureus. Two compounds showed antifungal activity against Candida albicans close to standard greseofulvin.               KEY WORDS: Azo dyes, Substituted amines, Antibacterial and antifungal activity, X-ray diffraction, Spectroscopy, Green chemistry Bull. Chem. Soc. Ethiop. 2018, 32(2), 249-257.DOI: https://dx.doi.org/10.4314/bcse.v32i2.

In silico study of CYP450 inhibitor activity of (E)-1-(3-((4-chlorophenyl) diazenyl)-4-hydroxyphenyl)ethanone

Molecular docking and single crystal study of azo dye (E)-1-(3-((4-chlorophenyl)diazenyl)-4-hydroxyphenyl)ethanone (3) is reported here. It has been synthesized by diazotization of 4-chloroaniline followed by coupling with 4-hydroxyacetophenone. Molecule is almost planar with acetyl as well as azo groups only slightly deviating from the plane of C3–C8 phenyl ring as evident by C1–C2–C3–C8 and N2–N1–C7–C6 torsion angles of –3.6(3)° and –3.9(3)°, respectively. Torsion angle N1–N2–C9–C14 between azo group and chlorophenyl ring is somewhat larger being –13.1(3)° leading to torsion angle between phenyl C3–C8 and chlorophenyl C9–C14 ring of 17.26(11)°. Intramolecular O2–H2···N2 hydrogen-bonding is observed here. Pillars along b-axis are formed due to π∙∙∙π stacking interactions of parallel molecules in head-to-head fashion with centroid-to-centroid distance of 3.8829(14) Å and ring slippage of 1.416 Å. Title compound shows good binding affinity towards six enzymes of CYP450 family. Both nitrogens of the azo bond show significant involvement in bonding interactions with proteins in case of all the six enzymes

Study of solid state structural and bonding features of (E)-1-(4-bromophenyl)-3-(1-H-indol-3-yl)-prop-2-en-1-one

1211-1214Single-crystal study of indolyl chalcone (E)-1-(4-bromophenyl)-3-(1-H-indol-3-yl)-prop-2-en-1-one is reported here. It has been synthesized by microwave assisted method from indole-3-carbaldehyde and 4-bromo acetophenone by Claisen-Schmidt reaction. IR,1H NMR and HRMS data is reported here. The crystalline structure of this compound is described within the sp. gr. I -4; its unit cell parameters are a = 23.9636(17)Å,b = 23.9636(17)Å,c = 5.1428(5)Å. Crystallographic study shows formation of hydrogen-bonded cyclic tetramer around a 2-fold axis and 4-fold roto-inversion axis through N1–H1···O1 interactions between the indolic NH group as a hydrogen-bond donor and the carbonyl O atom as a hydrogen-bond acceptor

Study of solid state structural and bonding features of (E)-1-(4-bromophenyl)-3-(1-H-indol-3-yl)-prop-2-en-1-one

Single-crystal study of indolyl chalcone (E)-1-(4-bromophenyl)-3-(1-H-indol-3-yl)-prop-2-en-1-one is reported here. It has been synthesized by microwave assisted method from indole-3-carbaldehyde and 4-bromo acetophenone by Claisen-Schmidt reaction. IR,1H NMR and HRMS data is reported here. The crystalline structure of this compound is described within the sp. gr. I -4; its unit cell parameters are a = 23.9636(17)Å,b = 23.9636(17)Å,c = 5.1428(5)Å. Crystallographic study shows formation of hydrogen-bonded cyclic tetramer around a 2-fold axis and 4-fold roto-inversion axis through N1–H1···O1 interactions between the indolic NH group as a hydrogen-bond donor and the carbonyl O atom as a hydrogen-bond acceptor.

Real-time search-free multiple license plate recognition via likelihood estimation of saliency

In this paper, we propose a novel search-free localization method based on 3-D Bayesian saliency estimation. This method uses a new 3-D object tracking algorithm which includes: object detection, shadow detection and removal, and object recognition based on Bayesian methods. The algorithm is tested over three image datasets with different levels of complexities, and the results are compared with those of benchmark methods in terms of speed and accuracy. Unlike most search-based license-plate extraction methods, our proposed 3-D Bayesian saliency algorithm has lower execution time (less than 60 ms), more accuracy, and it is a search-free algorithm which works in noisy backgrounds

Methodology to develop a minimum cost acceptance sampling plan for highway construction

Quality Assurance has always been a part of manufacturing processes. Since World War II, Acceptance Sampling has been introduced and implemented for quality control and improvement. Since statistical methods are applied for quality assurance, especially in acceptance sampling, various methods are becoming popular among the highway agencies over the period of time. As a result, several specifications have been designed to date based upon different statistical theories, each with its own advantages and shortcomings. Acceptance is a form of quality assurance which is employed as an audit tool for decision making to accept or reject the product based on its quality. A Sampling Plan has to be designed so as to define the number of samples to be tested from a given quantity of product, referred to as a “Lot.” Sampling tends to induce certain risks in the process of acceptance due to the fact that 100% inspection is not being carried out. These risks are generally called the Buyer’s Risk and Seller’s Risk, which are in fact the probabilities of erroneously accepting/rejecting a bad/good lot respectively due to insufficient inspection. Statistical theories provide us the means to either reduce or fix these unavoidable risks by selecting an appropriate “sample size,” i.e., number of samples. A sample size has to be selected in a manner that is it practical in the sense of damage to the lot while testing and also the cost of testing which increases with sample size. With the tremendous amount of highway construction each year (e.g., 82 billion dollars of highway and street construction took place in 2008 (Construction Spending, 2008)), sample size and, in turn, the risks associated play important roles in affecting economy, even with a slightest change in terms of the cost of erroneous decisions. Typically, a sample size of 3 to 7 per lot is used by highway agencies. Considering the aforementioned economical impact, the need arises for the “Practical Sample Size” (PSS) which is a sample size corresponding to minimum total cost of acceptance (i.e., cost of testing and costs incurred due to erroneous decisions). Many theories are designed to find minimum sample size but very little work has been done to find PSS with economic considerations for sampling plans for variables. This research has been carried out to determine whether current sample size standards are practical (i.e., cost effective). A methodology was developed to find PSS (i.e., to generate practical sampling plan) by using the variable sampling method for unknown mean and standard deviation for single and multiple acceptance quality characteristics (AQCs); considering decision and sampling costs and historical distribution of lot quality, compared with the existing sample sizes, and recommendations were made. This study shows that the sample sizes calculated with the traditional method of constant risk levels are not always practical. The major advantage of proposed plan is that it does not leave an agency with the decision of evaluating the risks involved in the sampling plan, but instead, provides it with a concrete reason to accept the sampling plan based on decision costs

Fire Resistance and Design of Composite Columns and Walls

Composite axial members [Concrete-filled Steel Tube (CFT) columns and Composite-Plate Shear Walls/Concrete Filled (C-PSWs/CF)] may be subjected to a combination of loading conditions, such as gravity, wind, seismic or fire. Under fire loading, the member would experience degradation of material properties and non-uniform temperature distribution through the crosssection. A time-temperature study is necessary to determine the member capacity and stability under fire loading. This thesis presents (a) the development and validation of a 2D fiber-based numerical analysis tool for modeling composite axial members under fire loading and (b) the results of benchmarked numerical studies conducted on composite axial members (CFTs and C-PSWs). The studies involved simulating fire conditions by exposing steel faceplates to elevated temperatures (ASTM E119 Time-Temperature Curve) while maintaining a constant axial load. The fiber model was benchmarked using experimental results and further validated with benchmarked Finite Element (FE) models. The parametric study on CFTs involved analyzing the effect column slenderness, column aspect ratio, section slenderness, and material properties on the behavior of columns at elevated temperatures. Section slenderness and concrete strength were seen to have a significant effect on column capacity, while aspect ratio and steel yield strength had a minor influence. A layer of fire protection was modeled to understand its effect on stability (failure time and critical load). It was observed that a layer of fire protection delayed the time to failure (Fire Rating) but caused the member to fail at marginally lower axial loads. The parametric study results are used to develop equations for calculating the compression strength of CFTs at elevated temperatures. The studies on C-PSWs involved modeling the walls using two methods, which are analyzing the entire wall section and analyzing a strip of the wall section. Results from both methods are compared with finite-element and experimental data and proposed equations for axial capacity are validated. One-sided heating of walls is also explored and validated

Copper(II) ions mediated crystal formation of 3-(3-hydroxy phenyl)-1-phenyl-1h-pyrazole- 4-carbaldehyde

Schiff base obtained from 3-hydroxyacetophenone and phenylhydrazine was subjected to Vilsmeier-Haack reaction to obtain 3-(3-hydroxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde (2). Successful formation of crystals of 2 was achieved using copper ions (Cu2+) as template. Present paper reports study of spectroscopic characterization and single-crystal X-ray study of 2. Hydrogen bonding network between 2 and water molecules enable the formation of 2D layer along ab-plane supported also by π···π stacking interactions of parallel molecules in head-to-head fashion.                     KEY WORDS: Cu2+ assisted crystal growth, Pyrazole-4-carbaldehyde, X-ray crystal study, Hydrogen bonding study   Bull. Chem. Soc. Ethiop. 2020, 34(3), 589-596. DOI: https://dx.doi.org/10.4314/bcse.v34i3.1

License Plate Recognition in Complex Scenes

License plate recognition is considered to be one of the fastest growing tech- nologies in the field of surveillance and control. In this project, we present a new design flow for robust license plate localization and recognition. The algorithm con- sists of three stages: i) license plate localization ii) character segmentation and iii) feature extraction and character recognition. The algorithm uses Mexican hat opera- tor for edge detection and Euler number of a binary image for identifying the license plate region. A pre-processing step using median filter and contrast enhancement is employed to improve the character segmentation performance in case of low resolution and blur images. A unique feature vector comprised of region properties, projection data and reflection symmetry coefficient has been proposed. Back propagation artifi- cial neural network classifier has been used to train and test the neural network based on the extracted feature. A thorough testing of algorithm is performed on a database with varying test cases in terms of illumination and different plate conditions. The results are encouraging with success rate of 98.10% for license plate localization and 97.05% for character recognition.M.S. in Electrical Engineering, December 201