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.

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

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

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

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

147-152Molecular 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–H2ꞏꞏꞏN2 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 combustion of coal with magnegas as additive for improved combustion efficiency: A review of present scenario and future scope1) A combustion/deposition entrained reactor for high-temperature/pressure studies of coal and coal minerals The future

Articles you may be interested in Abstract. Fossil fuels are contributing the largest share in meeting up energy demands of urban lifestyle across the globe. May it be gasoline or coal, all sort of fossil fuels are drilled out of earth crust to burn on the earth surface creating huge burden on air quality. Incomplete combustion of fossil fuels cause pollution of carbon monoxide and other gases. It also eats away the breathable oxygen from atmosphere. Rampant use of coal in power sector causes above problems adding to the global warming phenomenon. Magnecules and magnehydrogen are seen to be best additives to fossil fuels which can effectively enhance the combustion efficiency of fossil fuels. Present paper discusses the enhancement in combustion efficiency of fossil fuels in terms of increased utility of carbon and improved quality of emission reducing the amount of obnoxious gases

Microwave Assisted Synthesis and Antimicrobial Study of Schiff Base Vanadium(IV) Complexes of Phenyl Esters of Amino Acids

Schiff base vanadium(IV) complexes of phenyl esters of the two acidic amino acids, i.e., aspartic and glutamic acid, were synthesized. The phenyl esters of these amino acids were synthesized by conventional method whereas the Schiff base vanadium(IV) complexes were synthesized using microwave irradiation. The complexes were characterized by spectroscopic tools such as IR, 1H NMR, mass (ES), ESR, and UV visible spectroscopy. All the complexes were studied for antibacterial and antifungal activity and found to be moderately active