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.     

Sandwich Complex‐Containing Macromolecules: Property Tunability Through Versatile Synthesis

Sandwich complexes feature unique properties as the physical and electronic properties of a hydrocarbon ligand or its derivative are integrated into the physical, electronic, magnetic, and optical properties of a metal. Incorporation of these complexes into macromolecules results in intriguing physical, electrical, and optical properties that were hitherto unknown in organic‐based macromolecules. These properties are tunable through well‐designed synthetic strategies. This review surveys many of the synthetic approaches that have resulted in tuning the properties of sandwich complex‐containing macromolecules. While the past two decades have seen an ever‐growing number of research publications in this field, gaps remain to be filled. Thus, we expect this review to stimulate research interest towards bridging these gaps, which include the insolubility of some of these macromolecules as well as expanding the scope of the sandwich complexes.

     

First-principles calculations of the structural, electronic and optical properties of cubic BxGa1−xAs alloys

Density functional calculations are performed to study the structural, electronic and optical properties of technologically important B_xGa_1−xAs ternary alloys. The calculations are based on the total-energy calculations within the full-potential augmented plane-wave (FP-LAPW) method. For exchange-correlation potential, local density approximation (LDA) and the generalized gradient approximation (GGA) have been used. The structural properties, including lattice constants, bulk modulus and their pressure derivatives, are in very good agreement with the available experimental and theoretical data. The electronic band structure, density of states for the binary compounds and their ternary alloys are given. The dielectric function and the refractive index are also calculated using different models. The obtained results compare very well with previous calculations and experimental measurements.     

Labeling of new formulation of tin–sucralfate freeze-dried kit with technetium-99m and its biological evaluation

The present investigation deals with a simple preparation of new formulation of tin?Csucralfate freeze-dried kit (F.D.K.), to be directly labeled with ^99mTc at optimal pH value of 7.0. The lyophilized form containing 100?mg sucralfate and 11.3?mg dihydrated stannous chloride. Other optimal pH values of the preparation were found to be from 4.0 to 11.0. The range of sucralfate amount studied (50?C500?mg) not affected the radiochemical purity of the labeled complex. The radiochemical purity and the stability of the labeled preparation that assessed by filtration were more than 95%. ^99mTc sucralfate was radiochemical stable up to a specific activity of 1,000?mCi per gram which was more stable than earlier published value (700?mCi per gram) without any radiolytic decomposition. The biological behavior of ^99mTc-pertechnetate was evaluated in two groups of animals, the first group (neither fasted nor ulcerated) and the second group (fasted and ulcerated mice). The data of organ distribution of ^99mTc?Csucralfate in ulcerated fasted mice showed that more than 99% of the administered dose was accumulated in the stomach (87.92%) and intestine (11.43%). The radioanalytical results together with the in vivo-biological behavior of the labeled preparation demonstrate it??s stability, efficacy and usefulness in medical applications for the detection of gastrointestinal ulcers.     

Theoretical study with rovibrational and dipole moment calculation of sextet states of the CrCl molecule

The potential energy curves have been investigated for the 13 lowest sextet electronic states in the representation below 53,000 cm^?1 of the molecule CrCl via CASSCF and MRCI (single and double excitation with Davidson correction) calculations. The harmonic frequency ω_e, the internuclear distance r_e, the rotational constant B_e, the electronic energy with respect to the ground state T_e, and the permanent dipole moment μ have been calculated. By using the canonical functions approach, the eigenvalues E_v, the rotational constant B_v, and the abscissas of the turning points r_min and r_max have been calculated for the considered electronic states up to the vibrational level v = 16. Nine electronic states have been studied theoretically here for the first time. The comparison of these values with the theoretical and experimental results available in the literature shows a good agreement. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012     

Nonlinear analytical multi-dimensional convolution solution of the second order system

In this paper, a procedure to analytically develop an approximate solution for the prototypical nonlinear mass–spring–damper system based on multi-dimensional convolution expansion theory is offered. The nonlinearity herein is mathematically considered in quadratic and bilinear terms. A variational expansion methodology, one of the most efficient analytical Volterra techniques, is used to develop an analytical two-term Volterra series. The resultant model is given in the form of first and second kernels. This analytical solution is visualized in the time domain followed by a parametric study for understanding the influence of each nonlinear/linear term appearing in the kernel structure. An analytical nonlinear step response is also conducted to characterize the overall system response from the fundamental components. The developed analytical step response provides an illumination for the source of differences between nonlinear and linear responses such as initial departure time, settling time, and steady value. Feasibility of the proposed implementation is assessed by numerical examples. The developed kernel-based model shows the ability to predict, understand, and analyze the system behavior beyond that attainable by the linear-based model.     

New access to pyrazole,oxa(thia)diazole and oxadiazine derivatives

1,4‐Disubstituted thiosemicarbazides 1b–f reacted with ethenetetracarbonitrile ( 5 ) in di‐ methylformamide with formation of 2‐substituted 5‐phenyl‐1,3,4‐thiadiazoles 2a–f and 2‐substituted 5‐phenyl‐1,3,4‐oxadiazoles 4a–f . Upon addition of 5 to 1c–e in chlorobenzene, 3‐amino‐2‐benzoyl‐4,5,5‐tri‐ cyano‐2,5‐dihydro‐1H‐pyrazole‐1‐[N‐(4‐tricyanovi‐nyl)phenyl]carbothioamide ( 12 ), 5‐benzylamino‐, and 5‐allylamino‐4‐benzoyl‐2,3‐dihydro‐[1,3,4]thiadiazol‐ 2,2‐dicarbonitrile ( 13a,b ) and 5‐amino‐1‐benzoylpyrazole‐3,4‐dicarbonitrile ( 14 ) as well as 2‐phenyl‐ 4H‐[1,3,4]‐oxadiazine‐5,6‐dicarbonitrile ( 15 ) were formed. Rationales for the role of the solvent and the conversions observed are presented. © 2005 Wiley Periodicals, Inc. Heteroatom Chem 16:12–19, 2005; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/hc.20071     

Synthesis of novel thiazole and pyrrolothiadiazine derivatives from aldehyde thiosemicarbazones

Substituted thiosemicarbazones 7a–e reacted with ethenetetracarbonitrile (TCNE) in ethyl acetate with formation of 5‐amino‐3‐(substituted ben‐zylidene‐amino)‐2‐phenylimino‐2,3‐dihydrothiazole‐4‐carbonitrile 8a–e 2‐amino‐6‐phenyl‐imino‐1,6‐ dihydropyrrolo[1,3,4]thiadiazine‐3‐carbonitrile 9 , and phenyl‐(5‐{substituted phenyl}‐3H‐[1,3,4]thiadiazole‐2‐ylidene)amines 10a–e . Rationales for the observed conversations are presented. © 2006 Wiley Periodicals, Inc. Heteroatom Chem 17:261–266, 2006; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/hc.20198     

Pharmacological Properties of 4′, 5, 7-Trihydroxyflavone (Apigenin) and Its Impact on Cell Signaling Pathways

Plant bioactive compounds, particularly apigenin, have therapeutic potential and functional activities that aid in the prevention of infectious diseases in many mammalian bodies and promote tumor growth inhibition. Apigenin is a flavonoid with low toxicities and numerous bioactive properties due to which it has been considered as a traditional medicine for decades. Apigenin shows synergistic effects in combined treatment with sorafenib in the HepG2 human cell line (HCC) in less time and statistically reduces the viability of tumor cells, migration, gene expression and apoptosis. The combination of anti-cancerous drugs with apigenin has shown health promoting potential against various cancers. It can prevent cell mobility, maintain the cell cycle and stimulate the immune system. Apigenin also suppresses mTOR activity and raises the UVB-induced phagocytosis and reduces the cancerous cell proliferation and growth. It also has a high safety threshold, and active (anti-cancer) doses can be gained by consuming a vegetable and apigenin rich diet. Apigenin also boosted autophagosome formation, decreased cell proliferation and activated autophagy by preventing the activity of the PI3K pathway, specifically in HepG2 cells. This paper provides an updated overview of apigenin’s beneficial anti-inflammatory, antibacterial, antiviral, and anticancer effects, making it a step in the right direction for therapeutics. This study also critically analyzed the effect of apigenin on cancer cell signaling pathways including the PI3K/AKT/MTOR, JAK/STAT, NF-κB and ERK/MAPK pathways.