SPE and HPLC monitoring of 17-β-estradiol in Egyptian aquatic ecosysetms

Solid-phase extraction and HPLC methods are described for monitoring of 17-β-estradiol residues in Egyptian aquatic ecosystems (water, fish, mollusks, sediment, and drinking water) at the Nile River, Suez Canal region, and northeast of Egypt. Molecular imprinted polymer was prepared and used in extraction. High performance liquid chromatography (HPLC) columns used were Supelcosil C₁₈ and Nucleosil C₁₈. The mobile phases used were different combinations of water and acetonitrile. The concentration of 17-β-estradiol in water, aquatic animals, and sediment samples were of 265.13–7988.12 µg/L, 0.503–96.167, and 0.775–11.884 µg/kg, respectively. Marine lake was contained with high levels of 17-β-estradiol (P < 0.05). Similarly, the Nile River downstream showed high levels of 17-β-estradiol. The detected concentrations in mollusks were significantly higher than those detected in fish. Tilapia fish did not show 17-β-estradiol. Contrarily, low concentrations were detected in the rivulet streams supplied by the Nile River. Besides, 17-β-estradiol was also detected in the sediments at low levels. Detection of 17-β-estradiol in the Egyptian ecosystems attracted attention toward heavy reliance on some esterogenic medicinal products in Egypt. The monitoring of 17-β-estradiol in other water bodies was recommended. Besides, the development of methodologies of bioremediation to eliminate 17-β-estradiol from the Egyptian and other water resources of the world was also suggested.     

Potential‐induced optimization of ultra‐thin rear surface passivated CIGS solar cells

Ultra‐thin Cu(In,Ga)Se₂ (CIGS) solar cells with an Al₂O₃ rear surface passivation layer between the rear contact and absorber layer frequently show a “roll‐over” effect in the J–V curve, lowering the open circuit voltage (V_OC), short circuit current (J_SC) and fill factor (FF), similar to what is observed for Na‐deficient devices. Since Al₂O₃ is a well‐known barrier for Na, this behaviour can indeed be interpreted as due to lack of Na in the CIGS absorber layer. In this work, applying an electric field between the backside of the soda lime glass (SLG) substrate and the SLG/rear‐contact interface is investi‐gated as potential treatment for such Na‐deficient rear surface passivated CIGS solar cells. First, an electrical field of +50 V is applied at 85 °C, which increases the Na concentration in the CIGS absorber layer and the CdS buffer layer as measured by glow discharge optical emission spectroscopy (GDOES). Subsequently, the field polarity is reversed and part of the previously added Na is removed. This way, the J –V curve roll‐over related to Na deficiency disappears and the V_OC (+25 mV), J_SC(+2.3 mA/cm²) and FF (+13.5% absolute) of the rear surface passivated CIGS solar cells are optimized. (© 2014 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

Investigation of isospin forbidden 0+ → 0+ Fermi beta decays with Pyatov method

In the present work, the matrix elements, isospin impurities and log ft values of the isospin forbidden 0⁺ → 0⁺ beta decays have been investigated. The calculated results have been compared with available experimental and another theoretical data. The isotopic invariance of the Hamiltonian has been restored by Pyatov method. Within the quasi-particle random phase approximation (QRPA), the computations have been performed both in presence and absence of the pairing interactions.     

Quantum Chemical,Spectroscopic, and X-Ray Diffraction Studies of N-diphenylphosphino-4-methylpiperidine Selenide (1)

The title molecule, N-diphenylphosphino-4-methylpiperidine selenide(1), was prepared and characterized by elemental analysis, ¹H-NMR, ³¹P-{¹H} NMR, IR, and X-ray single-crystal determination. The compound crystallizes in the monoclinic space group P 2₁/c. In addition to the molecular geometry from X-ray determination, vibrational frequencies and gauge, including atomic orbital (GIAO) ¹H- and ³¹P-{¹H} NMR chemical shift values of the title compound (1) in the ground state, were calculated using the Hartree–Fock and density functional methods with the 6-31G(d, p) basis set. The calculated results show that the optimized geometries can well reproduce the crystal structures. Besides, the theoretical vibrational frequencies and chemical shift values show good agreement with experimental values. The predicted nonlinear optical (NLO) properties of the title compound are greater than those of urea. In addition, density functional theory (DFT) calculations of the molecular electrostatic potentials (MEPs), frontier molecular orbitals (FMOs) of the title compound were carried out at the B3LYP/6-31G(d) level of theory.     

FT-IR,FT-Raman spectra and quantum mechanical study of piperidine-3-carboxylic acid and its tautomers,isomers

The mid-IR, far-IR, and Raman spectra of piperidine-3-carboxylic acid were measured and interpreted with support of the MP2 and B3LYP/6-311++G(d, p) calculated harmonic vibrational spectra. 10 stable piperidine-3-carboxylic acid tautomers/isomers were found after B3LYP, calculations. The experimental absorption bands of carboxylate (COO^?) group show that the free piperidine-3-carboxylic acid molecule exists in zwitterionic form and the most stable tautomer (NAT-1) can be stabilized by an intramolecular N-H...O hydrogen bond. All vibrational frequencies of NAT-1 assigned in detail with the help of total energy distribution (TED). The experimental vibrational wave numbers were compared with the calculated data.     

Radiostability of Allantoin by Using Electron Spin Resonance Spectroscopy

The radiosterilization potential and dosimetric feature of allantoin were investigated through the molecular degradations produced after ultraviolet and gamma irradiation using electron spin resonance, infrared, and ultraviolet spectroscopies and thermal measurement techniques (differential thermal analysis and the glass transition temperature). Although ultraviolet-irradiated allantoin presents no electron spin resonance signal, gamma irradiation exhibited an electron spin resonance signal of triplet appearance. Room temperature and high-temperature line intensity and spectrum area data and their variations with applied microwave power, storage time, annealing time, annealing temperature, and applied radiation dose were analyzed by assuming the production of two different types of radicals having different spectroscopic and decay characteristics. Based on its relatively stable nature toward gamma and ultraviolet radiations, it was concluded that allantoin itself and the products containing it can be sterilized by gamma and/or ultraviolet radiations without creating a great loss in its beneficial effects in the allowed radiosterilization dose limits.     

Dynamic flight stability of a model dronefly in vertical flight

The dynamic flight stability of a model dronefly in hovering and upward flight is studied.The method of computational fluid dynamics is used to compute the stability derivatives and the techniques of eigenvalue and eigenvector used to solve the equations of motion.The major finding is as following.Hovering flight of the model dronefly is unstable because of the existence of an unstable longitudinal and an unstable lateral natural mode of motion.Upward flight of the insect is also unstable,and the instability increases as the upward flight speed increases.Inertial force generated by the upward flight velocity coupled with the disturbance in pitching angular velocity is responsible for the enhancement of the instability.     

Even and Odd Schrödinger Cat States in the Probability Representation of Quantum Mechanics

Journal of Russian Laser Research - We consider even and odd coherent states (Schrödinger cat states) in the probability representation of quantum mechanics. The probability representation of...     

Cytotoxic effect,enzyme inhibition,and in silico studies of some novel N-substituted sulfonyl amides incorporating 1,3,4-oxadiazol structural motif

Molecular Diversity - The acetylcholinesterase and carbonic anhydrase inhibitors (AChEIs and hCAIs) remain key therapeutic agents for many bioactivities such as anti-Alzheimer and antiobesity...     

An amine-catalyzed enantioselective [3+2] cycloaddition of azomethine ylides and α,β-unsaturated aldehydes: applications and mechanistic implications

The catalytic enantioselective [3+2] cycloaddition between azomethine ylides and α,β-unsaturated aldehydes catalyzed by α,α-diphenylprolinol has been studied in detail. In particular, the reaction has been extended to the use of 2-alkenylidene aminomalonates generated in situ as azomethine ylide precursors. These reactions lead to the formation of pyrrolidines containing a 5-alkenyl side chain with potential for chemical manipulation. Moreover, a detailed and concise computational study has been carried out to understand the exact nature of the mechanism of this reaction and especially the consequences derived from the incorporation of the chiral secondary amine catalyst on the reaction pathway.