Synthesis, DFT calculations, and anti-proliferative evaluation of pyrimidine and selenadiazolopyrimidine derivatives as dual Topoisomerase II and HSP90 inhibitors.

Novel series of aminopyrimidines bearing a biologically active cyclohexenone 3a-f and oxo-selaneylidene moiety 4, besides selenadiazolopyrimidines (5a-e and 7), were synthesised using 5,6-diaminouracils as starting materials. Compound 3a exhibited strong anti-proliferative activity against three cell lines: HepG-2 (IC50 14.31 ± 0.83 µM), A-549 (IC50 30.74 ± 0.76 µM), and MCF-7 (IC50 27.14 ± 1.91 µM). Also, it was four times more selectively cytotoxic against WI-38 cell lines than doxorubicin. Furthermore, Topoisomerase II (IC50 4.48 ± 0.65 µM) and HSP90 (IC50 1.78 ± 0.11 µM) were both strongly inhibited in vitro by 3a. The cell cycle was halted at the G1-S phase, and total apoptotic cells were 65 times more than control Hep-G2 cells. Besides, it increased caspase-3 gene expression, triggering mitochondrial cell death. Molecular docking study indicated that it could bind to Topoisomerase II and HSP90 binding sites in an inhibitory mode. Its geometric properties were investigated using the density functional theory (DFT). Furthermore, compound 3a demonstrated in silico good oral bioavailability.

Heavy metals concentrations and speciation of Pb and Ni in airborne particulate matter over two residential sites in Greater Cairo - reflection from synchrotron radiation.

Synchrotron radiation-based techniques [X-ray absorption near-edge structure (XANES) and X-ray fluorescence (XRF)] combined with inductively coupled plasma-mass spectrometry (ICP-MS) were used for the assessment of heavy metals concentrations as well as lead (Pb) and nickel (Ni) speciation in airborne particulate matter (PM10) over two residential sites in Greater Cairo. Nineteen 24 h high-volume samples collected at Giza (G) Square and Helwan (H) University (Egypt) were selected for this study. Mean concentrations of heavy metals in PM10 at both sites were found to have the same descending order of Pb > Cu > Ni > Cd > Co > As, of which concentrations of Pb, Cu, Ni and Cd in H samples were higher than those in G samples. For Pb, synchrotron-based XRF results were in good agreement with concentrations obtained by ICP-MS. The XANES spectra of PM10 at the Pb L2-edge and Ni K-edge were compared with those of Pb and Ni in model standard compounds to provide information on the potential oxidation states as well as the chemical forms of those elements. The data show that Pb has similar chemical environments in both series G and H with the predominance of Pb2+ oxidation state. Nickel was found as Ni(OH)2, NiO and Ni metal in the analyzed samples. However, the content of Ni in the background filter shows a very strong interference with that of the collected PM10. Carcinogenic and non-carcinogenic risks resulting from the inhalation of the studied heavy metals were assessed for children and adult residents and were found below the safe limits, at both sites.

Isotope signature and elemental characteristics of subsurface formations around deep-laying coal seams probed by means of atomic and nuclear-based techniques.

A systematic investigation on the isotopic and elemental signature, for both stable and radioactive elements, and mineral contents was performed to examine the characteristics of subsurface formations collected at different depths between 3.962 km and 4.115 km around deep-laying coal seams located under the Marmarica plateau in Egypt. Concentrations of major and minor oxides (Na2O, MgO, Al2O3, SiO2, SO3, K2O, CaO, TiO2, MnO, ΣFeO + Fe2O3, SrO, ZrO2, and BaO) were determined by X-ray fluorescence and dependencies among these concentrations revealed the type and sort of the formations. Organic contents were determined by Fourier Transform infrared spectroscopy to investigate the variation of the CO/CC bonding ratio with depth. Rare earth elements (REE), specifically Y, Sc, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu were determined by inductively coupled plasma mass spectrometry while actinoids were detected by the radioactive decay of its daughter nuclei. The results showed a high trapping of REE elements and actinoids in layers above the coal seams which indicates the occurrence of aqueous flow followed by possible sorption in these layers. The mobility of the fluid was investigated using the process radioactive decay series between Ra226 and Ac228 from one side and their daughters from the other side.

Neutron-induced mass shift of tin isotopes recognized using inductively coupled plasma mass spectrometry as an isotopic fingerprint on neutron reactions.

The phenomenon of isotope shift in response to neutron irradiation was investigated. The high fission-neutron fluence of 1.44×1018 cm-2 from the second Egyptian research reactor (ETRR-2) was used to induce a mass shift in a metallic tin sample. A triple-quadrupole inductively coupled plasma mass spectrometry system was used to analyze the isotope abundances in the mass range from A=111 to A=125. The problem of mass bias due to kinetic fractionation on use of the inductively coupled plasma mass spectrometry system was treated by our calibrating the mass bias with a standard reference tin solution and building a response function. The response function was used to obtain absolute abundances in each mass range instead of isotope ratios. The results show that the mass shifts in the irradiated sample are dependent on the cross section of the neutron capture reaction in the tin isotopes.

Mixed convection flow along a curved surface in the presence of exothermic catalytic chemical reaction.

In the current study, the attention is paid on the phenomena of mixed convection flow under the effect of exothermic catalytic chemical reaction along the curved surface. The proposed problem is modeled in nonlinear coupled partial differential equations. In keeping view the principle of homogeneity the dimensional flow model is transformed into dimensionless by using an appropriate scaling. This well arranged form of equations is then discretized with the aid of finite difference method for the numerical solution. The solutions of the considered model are estimated and displayed in the graphs. Here, in the contemporary study variables of physical significance such as velocity profile, temperature distribution and mass concentration are encountered efficiently. The incorporated pertinent dimensionless numbers that is body shape parameter, mixed convection parameter, modified mixed convection parameter, Prandtle number, exothermic parameter, chemical reaction parameter, temperature relative parameter, dimensionless activation energy parameter, and Schmidt number for which variations in the concentrated physical variables are estimated and presented in graphical way. For each boundary conditions computations are performed along the curved surface for different body shape parameter (n) values range from 0 up to 0.5; the obtained results satisfied by the boundary conditions. The velocity profile becomes increasingly more significant for n equal to 1 and due to the uniformly heated surface temperature profile and mass concentration are uniformly distributed.

Author Correction: Magneto-Hybrid Nanofluids Flow via Mixed Convection past a Radiative Circular Cylinder.

An amendment to this paper has been published and can be accessed via a link at the top of the paper.

Magneto-Hybrid Nanofluids Flow via Mixed Convection past a Radiative Circular Cylinder.

The goal of the current analysis is to scrutinize the magneto-mixed convective flow of aqueous-based hybrid-nanofluid comprising Alumina and Copper nanoparticles across a horizontal circular cylinder with convective boundary condition. The energy equation is modelled by interpolating the non-linear radiation phenomenon with the assisting and opposing flows. The original equations describing the magneto-hybrid nanofluid motion and energy are converted into non-dimensional equations and solved numerically using a new hybrid linearization-Chebyshev spectral method (HLCSM). HLCSM is a high order spectral semi-analytical numerical method that results in an analytical solution in η-direction and thereby the solution is valid in overall the η-domain, not only at the grid points. The impacts of diverse parameters on the allied apportionment are inspected, and the fallouts are described graphically in the investigation. The physical quantities of interest containing the drag coefficient and the heat transfer rate are predestined versus fundamental parameters, and their outcomes are elucidated. It is witnessed that both drag coefficient and Nusselt number have greater magnitude for Cu-water followed by hybrid nanofluid and Al2O3-water. Moreover, the value of the drag coefficient declines versus the enlarged solid volume fraction. To emphasize the originality of the current analysis, the outcomes are compared with quoted works, and excellent accord is achieved in this consideration.

Utilization of live body weight, measurements, and eye muscle components to predict carcass performance of fattened Egyptian male buffalo calves.

Carcass performance of 12 fattened male buffalo calves equally grouped by slaughter weights of 300, 350, 400, and 450 kg was evaluated. Six parameters of body measurements such as chest girth, height at withers, body length, body depth, width at pin bones, and diagonal body length were recorded for each calf immediately before slaughter to test their relationships with live body weight, carcass weight (hot and cold) and its components (head, legs, liver, heart, etc.), and eye muscle area at the 10th-13th ribs. Boneless meat and bones formed 36.6 to 39.0% and 9.3 to 11.0% of live weight, respectively. Chest girth had strong correlation with all carcass traits except bone weight and was the best predictor of boneless meat and carcass fat weights (R2 = 0.90, 0.78). The slaughter weight and height at withers and the 10th-13th rib fat weight were the best predictors of hot and cold carcass (R2 ≥ 97.0), carcass bones (R2 = 76%), and hot and cold carcass (R2 = 85.0, 86.5%) weights, respectively.

Effectiveness of controlled internal drug release device treatment to alleviate reproductive seasonality in anestrus lactating or dry Barki and Rahmani ewes during non-breeding season.

This study aimed to evaluate the effectiveness of hormonal treatments on ovarian activity and reproductive performance in Barki and Rahmani ewes during non-breeding season. Forty-eight multiparous ewes, 24 Barki and 24 Rahmani ewes were divided into two groups, 12 lactating and 12 dry ewes for each breed. Controlled internal drug release (CIDR) device was inserted in all ewes for 14 days in conjunction with intramuscular 500 IU equine chronic gonadotrophin (eCG) at day of CIDR removal. Data were analysed using PROC MIXED of SAS for repeated measures. Breed, physiological status and days were used as fixed effects and individual ewes as random effects. Barki ewes recorded higher (p < .05) total number of follicles, number of large follicles, serum estradiol concentration and estradiol: progesterone (E2 :P4 ) ratio compared to Rahmani ewes. Lactating ewes recorded higher (p < .05) number of small follicles and lower concentration of total antioxidant capacity (TAC) compared to dry ewes. Number and diameter of large follicles recorded the highest (p < .05) values accompanied with disappearance of corpora lutea at day of mating. Serum progesterone concentration recorded lower (p < .05) value at day of mating and the highest (p < .05) value at day 35 after mating. CIDR-eCG protocol induced 100% oestrous behaviour in both breeds, but Rahmani ewes recorded longer (p < .05) oestrous duration compared to Barki. Conception failure was higher (p < .05) in Barki compared to Rahmani ewes. In conclusion, CIDR-eCG protocol was more potent in improving ovarian activity in Barki compared to Rahmani ewes, but this protocol seems to induce hormonal imbalance in Barki ewes that resulted in increasing conception failure compared to Rahmani ewes.

Manipulation of reproductive seasonality using melatonin implantation in Anglo-Nubian does treated with controlled internal drug release and equine chorionic gonadotropin during the nonbreeding season.

The objective of this study was to compare the efficiency of hormonal treatments on ovarian activity and reproductive performance in anestrous Anglo-Nubian does during the nonbreeding season (February to May). A total of 48 multiparous does were divided into 2 groups (24 lactating does and 24 dry does). In each group, animals were allocated randomly into 2 equal subgroups (12 does each). In the first subgroup, does received a single 18-mg melatonin implant for 42 d followed by a controlled internal drug release (CIDR) device for 19 d in conjunction with 500 IU of equine chorionic gonadotropin (eCG) i.m. on the day of CIDR device removal. The second subgroup received CIDR combined with eCG in parallel with the first subgroup. Melatonin implantation induced a luteotrophic effect, expressed as an increasing number of corpora lutea, increased serum progesterone concentration, and reduced estradiol concentration. Regardless of treatment, dry does showed greater value of progesterone concentration. With the advancement of day of treatment, number of total follicles, small follicles, and medium follicles tended to increase to the greatest values at the day of CIDR device insertion. Furthermore, at day of mating, the numbers of large follicles reached the greatest value, which was associated with the lowest value of the number of corpora lutea. At day of mating, serum progesterone concentration achieved the lowest value, which increased until d 56 of pregnancy. The estradiol:progesterone ratio showed the opposite trend. The detrimental effect of reproductive seasonality, expressed as cessation of estrus behavior and fertile mating during the nonbreeding season, was successfully alleviated by the CIDR-eCG protocol. Furthermore, melatonin implantation in conjunction with the CIDR-eCG protocol enhanced conception rate and fecundity at d 28 of pregnancy and prolificacy at d 56 of pregnancy compared with does that were not implanted. Interestingly, does that failed to conceive did not come to heat again. In conclusion, the beneficial effect of melatonin implantation in conjunction with the CIDR-eCG protocol on the luteotrophic effect was reflected in the increasing number of corpora lutea, increasing progesterone concentration, and decreasing estradiol concentration. Furthermore, conception rate, prolificacy, and fecundity were improved compared with does that were not implanted during the nonbreeding season.

Mobility and Fate of Pollutants in the Aquifer System of the Northwestern Suez Gulf, Egypt.

The northwestern part of Suez Gulf region is a strategic area in Egypt. It includes important sources of national income. To achieve the development goals, the government has established huge projects in this area (e.g. establishment and expanding of a large commercial port at Ain Sokhna, many industrial zones as well as tourism projects). The utilization of the Suez Gulf resources and their continuing development mainly depend on the creation of actual pollution control programs. The environmental quality control and pollution reduction activities are important ingredients of any economic development program. These different activities in this area depend mainly on the groundwater that is pumped intensively from different water bearing formations or aquifers. The main objective of the present work is compiling the previous studies from the 1980s up to 2015. These studies are concerned with estimating the concentrations of different pollutants in various ecosystems in the northwestern Suez Gulf region. Also, to provide an explanation for the movement of different pollutants such as organic and heavy metals from contaminated land to ground and surface (Gulf) waters. This issue has not been extensively surveyed before, and this review, gives specific directions for future monitoring and remediation strategies in this region.

GC estimation of organic hydrocarbons that threaten shallow Quaternary sandy aquifer Northwestern Gulf of Suez, Egypt.

Soil and groundwater contamination is one of the important environmental problems at petroleum-related sites, which causes critical environmental and health defects. Severe petroleum hydrocarbon contamination from coastal refinery plant was detected in a shallow Quaternary sandy aquifer is bordered by Gulf in the Northwestern Gulf of Suez, Egypt. The overall objective of this investigation is to estimate the organic hydrocarbons in shallow sandy aquifers, released from continuous major point-source of pollution over a long period of time (91 years ago). This oil refinery contamination resulted mainly in the improper disposal of hydrocarbons and produced water releases caused by equipment failures, vandalism, and accidents that caused direct groundwater pollution or discharge into the gulf. In order to determine the fate of hydrocarbons, detailed field investigations were made to provide intensive deep profile information. Eight composite randomly sediment samples from a test plot were selected for demonstration. The tested plot was 50 m long × 50 m wide × 70 cm deep. Sediment samples were collected using an American auger around the point 29° 57' 33″ N and 32° 30' 40″ E in 2012 and covered an area of 2,500 m(2) which represents nearly 1/15 of total plant area (the total area of the plant is approximately 3.250 km(2)). The detected total petroleum hydrocarbons (TPHs) were 2.44, 2.62, 4.54, 4.78, 2.83, 3.22, 2.56, and 3.13 wt%, respectively. TPH was calculated by differences in weight and subjected to gas chromatography (GC). Hydrocarbons were analyzed on Hewlett-Packard (HP-7890 plus) gas chromatograph equipped with a flame ionization detector (FID). The percentage of paraffine of the investigated TPH samples was 7.33, 7.24, 7.58, 8.25, 10.25, 9.89, 14.77, and 17.53 wt%, respectively.

Theoretical investigation of selenium interferences in inductively coupled plasma mass spectrometry.

Structures, heats of formation, ionization energies, and proton affinities of selenium, argon dimer, argon-chlorine, and their hydrides (Se, SeH, SeH2, ArH, ArH2, Ar2, Ar2H, Ar2H2, ArCl, and ArHCl) are estimated by quantum chemistry calculations using G3, G4, and W1 composite methods and coupled cluster approach at the CCSD(T)/aug-cc-pVTZ levels. Thermochemistry of the reactions between ions A(+) = Se(•+), SeH(+), SeH2(•+), SeH3(+), Ar2(•+), Ar2H(+), Ar2H2(•+), Ar2H3(+), ArCl(+), ArClH(•+), and ArClH2(+) with various neutral gas G commonly used in dynamic reaction chamber-inductively coupled plasma-mass spectrometry (DRC-ICP-MS) (G = H2, CH4, NH3, O2, CO, CO2, NO, and N2O) has been investigated.