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.     

An efficient and chemoselective method for protection of thiols catalyzed by aluminumdodecatungstophosphate (AlPW12O40), as a highly water tolerant Lewis acid catalyst

Protection of various thiols with diphenylmethanol was achieved in high yields at room temperature using catalytic amounts of AlPW₁₂O₄₀ in CH₂Cl₂. In the presence of this catalyst, protection of SH versus OH was achieved with high chemoselectivity and yields. The catalyst can be easily recovered and reused. Deprotection of DPM thioethers was also achieved using molecular iodine at reflux in CH₂Cl₂ in high yields.     

An electropolymerized aniline-based fiber coating for solid phase microextraction of phenols from water

An aniline-based polymer was electrochemically prepared and applied as a new fiber coating for solid phase microextraction (SPME) of some priority phenols from water samples. The polyaniline (PANI) film was directly electrodeposited on the platinum wire surface in sulfuric acid solution using cyclic voltammetry (CV) technique. The efficiency of new coating was investigated using a laboratory-made SPME device and gas chromatography with flame ionization detection for the extraction of some phenols from the headspace of aqueous samples. The scanning electron microscopy (SEM) images showed the homogeneity and the porous surface structure of the film. The results obtained proved the ability of this polymer as a suitable SPME fiber coating for trapping the selected phenols. Influential parameters affecting the extraction process were optimized and an extraction time of 50 min at 50 °C gave maximum efficiency, when the aqueous sample was saturated with NaCl and adjusted at pH 2. This new coating can be prepared easily in a reproducible manner and it is rather inexpensive and stable against most of organic solvents. The PANI thickness can be precisely controlled by the number of CV cycles. At the optimum conditions, the R.S.D. for a double distilled water spiked with phenol and chlorophenols at ppb level were 4.8-17% (n = 3) and detection limits for the studied compounds were between 0.69 and 3.7 ng ml⁻¹, except for phenol and 4-chlorophenol. The optimized method was successfully applied to some real-life water samples.     

The facile and efficient Michael addition of indoles and pyrrole to alpha,beta-unsaturated electron-deficient compounds catalyzed by aluminium dodecyl sulfate trihydrate [Al(DS)3].3H2O in water

Aluminium dodecyl sulfate trihydrate [Al(DS)3].3H2O is easily prepared and can be used as a Lewis acid surfactant catalyst in water to conduct the highly efficient Michael addition of indoles and pyrrole to alpha,beta-unsaturated electron-deficient compounds at room temperature.     

Characterization of oligosaccharide moieties of intact glycoproteins by microwave-assisted partial acid hydrolysis and mass spectrometry

A method, which utilizes microwave-assisted partial acid hydrolysis and matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOFMS), to elucidate oligosaccharide composition of intact glycoproteins is presented here. Glycoproteins, such as ribonuclease B, avidin, alpha1-acid glycoprotein, and fetuin, are used as model systems to demonstrate this technique. Partial cleavage of oligosaccharides from whole intact glycoproteins with trifluoroacetic acid was observed after a short exposure to microwaves. Due to the high-resolution mass spectra obtained by MALDI-TOFMS from glycoproteins with molecular weights less than 20 kDa, the compositions of oligosaccharides are readily derived for ribonuclease B and avidin. The data agree with the proposed oligosaccharide structures of ribonuclease B (five glycoforms) and avidin (eight glycoforms). Larger glycoproteins such as alpha1-acid glycoprotein (many glycoforms) and fetuin (many glycoforms) exhibited only broad peaks with no glycoform resolution. Nevertheless, this method can be used successfully for analysis of glycoproteins with molecular weights greater than 20 kDa to determine the presence or absence of glycosylation.     

Prediction of risers’ tubes temperature in water tube boilers

A dynamic model is developed which enables the prediction of risers’ tubes temperature of water tube boilers under various operating conditions. The model is composed of fluid dynamics model representing the fluid flow in the drum-downcomer-riser loop and a dynamic thermal model of the riser’s temperature. The model gives a detailed account of the two-phase heat transfer process which takes place between the risers’ inner walls and the water–steam mixture flow inside the tubes. The model is used to simulate various operational scenarios of water tube boilers. Results of the simulation provide insight into the dynamic interactions of the boiler’s main variables including the drum pressure, water volume, steam quality and risers’ temperature. Such a model is useful in checking operational scenarios before their actual plant implementation, can be a basis for developing boiler start up procedures and online temperature predictions to prevent eminent tube overheating.     

Vibration Analysis for Detecting Internal Corrosion

The vibration behavior of structures can be characterized in terms of resonance frequencies and mode shapes, which describe properties of the tested object in a global way but do not, in general, provide information about structural details. Following an asymptotic formalism, in much the same spirit as the work in [ 3 ] and recent text [ 1 ], we develop an efficient method to address the inverse problem of identifying an internal corrosive part of small Hausdorff measure in a two-dimensional structure by vibration analysis. The viability of our reconstruction method is documented by a variety of numerical results from synthetic, noiseless and noisy data.     

Geometric aspects of transversal Killing spinors on Riemannian flows

We study a Killing spinor type equation on spin Riemannian flows. We prove integrability conditions and partially classify those flows carrying non-trivial solutions.      

Boundary voltage perturbations caused by small conductivity inhomogeneities nearly touching the boundary

We establish an asymptotic expansion of the steady-state voltage potentials in the presence of a diametrically small conductivity inhomogeneity that is nearly touching the boundary. Our asymptotic formula extends those already derived for a small inhomogeneity far away from the boundary and is expected to lead to very effective algorithms, aimed at determining location and certain properties of the shape of a small inhomogeneity that is nearly touching the boundary based on boundary measurements. Viability of the asymptotic formula is documented by numerical examples.     

Efficient way for detection of alcohols using hollow core photonic crystal fiber sensor

Optical Review - In this study, a simple hollow core hexagonal structured photonic crystal fiber is offered and analyzed to discern commonly used different type of alcohols in our daily life. The...