Offline estimation of 2D crystal lattice parameters by processing the electron diffraction image

Electron diffraction provides useful information about the internal composition of materials and has been in the use of material scientists for more than fifty years. In order to extract useful information from offline diffraction images, they are manually analyzed by using some photometric technique. Manual analysis is however a cumbersome, laborious and difficult task. To reduce the labors of material scientists one can employ image processing techniques to perform automated analysis, due to the well established popularity and clear evidence of widely used image processing techniques. In this work an image processing technique is being proposed for the extraction of 2D unit cell information from diffraction images on one hand and finding the 2D point group contained by the lattices on the other. The technique employs a morphological shrinking operation to find the center of each spot in the underlying preprocessed diffraction image. This is followed by the extraction of eight points with reference to the spot produced by the transmitted electron beam. The resultant nine points, i.e. the extracted eight plus the reference spot generated by the transmitted electron beam, are then subjected to symmetry operations, rotation symmetry and mirror symmetry, in polar coordinate system, to classify the point group of the lattice produced by the electron diffraction. One of the difficult task, even in manual analysis, is to ascertain the exact spot where the transmitted electron beam hit the sample at the time of realization of the image. This has been accurately and intuitively done by employing the notion that the transmitted spot must have greater number of pixels, with the highest gray value, among the diffracted spots. The proposed strategy has been applied to a sample set of various images and the results shows that the technique is efficient in determining the unit cell in 2D and classify the point group with good accuracy.     

Transferred multipolar atom model for 10β,17β‐dihydroxy‐17α‐methylestr‐4‐en‐3‐one dihydrate obtained from the biotransformation of methyloestrenolone

Biotransformation is the structural modification of compounds using enzymes as the catalysts and it plays a key role in the synthesis of pharmaceutically important compounds. 10β,17β‐Dihydroxy‐17α‐methylestr‐4‐en‐3‐one dihydrate, C₁₉H₂₈O₃·2H₂O, was obtained from the fungal biotransformation of methyloestrenolone. The structure was refined using the classical independent atom model (IAM) and a transferred multipolar atom model using the ELMAM2 database. The results from the two refinements have been compared. The ELMAM2 refinement has been found to be superior in terms of the refinement statistics. It has been shown that certain electron‐density‐derived properties can be calculated on the basis of the transferred parameters for crystals which diffract to ordinary resolution.     

Synthetic approaches toward stilbenes and their related structures

Compounds belonging to the stilbene family have gained remarkable significance in pharmaceutical as well as material chemistry. The current review covers the various synthetic approaches for the syntheses of stilbene scaffold and related structures over last 30 years. In addition, this review also highlights the role of stilbene intermediates used in the synthesis of important molecules with diverse applications in the field of pharmaceutics and material science.     

Space-Time Dynamics of?Gazeau-Klauder Coherent States in?Power-Law Potentials

Gazeau-Klauder coherent states are developed for power-law potentials and their evolution in space and time is analyzed. We show that these states follow classical dynamics as long as the underlying energy spectrum is linear, otherwise they follow a classical-like evolution upto a few classical periods and disperse thereafter, despite its special construction. Auto-correlation function and probability density as a function of space and time explain the spatio-temporal behavior of these states.     

Synthesis,characterisation and supramolecular interaction of Rh-biphenylic-imidazole-phenanthroline with antibiotics

A novel rhodium biphenylic imidazole phenanthroline metal-organic complex (BIP-MC) has been synthesised and characterised as a stable supramolecule. The structure of compound was established on the basis ESI, ¹H NMR and UV–vis spectroscopic data. The selectivity of BIP-MC as a new fluorescent chemosensor for various antibiotics has been explored. The supramolecular interaction of amoxicillin with BIP-MC enhanced the fluorescence activity of BIP-MC. A linear response of the sensor was observed in the measuring ranges of excitation 240–298 nm and emission 290–360 nm with detection limits of up to 10 μg/ml at an optimum pH 8.0. Based on the observations made here, a new quantitative method for the determination of this drug in synthetic samples without the use of separation of matrix is developed. It is also inferred that the possible fluorescence enhancement is due to the formation of exciplex between the BIP-MC and amoxicillin. These finding will thus help in pharmacokinetics studies of drugs. The sensor was used for the direct assay of amoxicillin antibiotic in commercial pharmaceutical preparations.     

Synthesis of new bicarbazole-linked triazoles as non-cytotoxic reactive oxygen species (ROS) inhibitors

Abstract

Carbazole analogs 3 and 4 and a new library of bicarbazole-linked triazoles 6–11 were prepared via new synthetic methodology. Metal-catalyzed oxidative coupling reaction was utilized for the synthesis of bicarbazole acetylene 4 and different metals (Zn⁺², Co⁺², Fe⁺³, Ni⁺², Cu⁺², Mn⁺²) as catalyst were screened. Only Fe-catalyzed reaction was found to be excellent and gave homocoupled product 4. Cu-catalyzed 1,3-dipolar cycloaddition was also utilized to install triazole moiety for the synthesis of hybrid molecules 6–11. Based on reported anti-inflammatory activity of carbazole and triazole scaffolds, all compounds were screened for their reactive oxygen species (ROS) inhibitory potential. Results from these studies revealed triazole 9 as most active compound (IC₅₀ value of 7.6?±?0.1?µg/mL on human whole blood and 2.7?±?0.09?µg/mL on isolated neutrophils) using ibuprofen as a standard. Therefore, class described herein can serve as attractive structural element for further studies on ROS inhibition.     

Synthesis and Characterization of a New Series of Hydroxy Pyrazolines

3-Phenyl-1-(thiophen-2-yl)prop-2-en-1-one obtained by Claisen–Schmidt condensation of 2-acetyl thiophene with benzaldehyde was converted into 2,3-dibromo-3-phenyl-1-(thiophen-2-yl)propan-1-one, which on treatment with various thiosemicarbazides in the presence of triethylamine in absolute ethanol, yielded the corresponding hydroxy pyrazolines 3a–h. All the compounds were characterized by IR, ¹H NMR, and ¹³C NMR spectra.     

Scaling in Electrical Conductivity Measurements and Rheological Measurements of Monarch 700 Dispersions Stabilized by Polymers

For making stable dispersions of graphitic carbon black (Monarch 700), the effectiveness of three dispersants/polymers (hypermer LP1, hypermer B246, and OLOA 11000) in xylene is investigated. Hypermer LP1 (polyhydroxystearic acid) is a homopolymer and hypermer B246 (PEG 30-dipolyhydroxystearate) is a polyhydroxystearic acid/polyethylene oxide/polyhydroxystearic acid ABA block copolymer, while OLOA 11000 (polyisobutylene succinimide) has a polar head group (polyamine) attached to a hydrocarbon chain (polyisobutylene). Well-dispersed graphitic carbon black dispersions were prepared using dispersants at optimum concentrations. Percolation threshold and rheological threshold were determined by analyzing the variations in electrical conductivity and elastic modulus with concentration of carbon black. Above threshold concentration, scaling law was applied to experimental data of rheology (dynamic measurements) and electrical conductivity measurements to evaluate quality of the system. Effectiveness of polymers was investigated on the basis of value of critical exponent (t and t′, respectively) in scaling power law. Hypermer LP1 was proved to be a poor dispersant for Monarch 700 dispersions while other two polymers were found to be effective stabilizers.     

Design and Development of Oral Oil-in-Water Nanoemulsion Formulation Bearing Atorvastatin: In Vitro Assessment

The objective of the present investigation was to design a thermodynamically stable and dilutable nanoemulsion formulation of AT-Ca with minimum surfactant concentration that could improve its solubility as well as its oral bioavailability. The composition of optimized nanoemulsion formulation was Sefsol 218 and oleic acid (1:1) 10% w/w, as an oil phase, Tween-20 (19% w/w) as a surfactant, Carbitol (19% w/w) as a cosurfactant and distilled water (52% w/w) as an aqueous phase, containing 10 mg of AT. The optimized formulation showed higher% drug release (99.34%), lower droplet size (42.8 ± 0.42 nm) with low polydispersity index (0.237 ± 0.012), less viscosity (27.51 ± 1.01 cP) and infinite dilution capability. In vitro drug release from the nanoemulsion formulations was highly significant (p < 0.01) as compared to drug suspension.