Enol-Keto tautomerism in 1-[(E)-1,3-benzothiazol-2-ylazo]naphthalen-2-ol has been studied using the B3LYP functional of density functional theory (DFT) with 6-31G(d,p) basis set. Relative and absolute energies, transition state geometries (TS), dipole moments, entropies, enthalpies and Gibbs free energies, equilibrium constants (KT) and rate of tautomerization (kr) were calculated. Also, the computations of geometries and vibration frequencies for the tautomers were calculated and compared. The results of the calculations showed that the enol form is the most stable form than other isomers, this might be due to intra-hydrogen bonding. The TS1 activation energies for tautomer A ↔ B, tautomer A ↔ C and tautomer B ↔ C are 92.65, 199.56 and 225.71 kJ/mol respectively. The TS1 is lower than TS2 by 102 kJ/mol, showing that A ↔ B and B ↔ C paths are thermodynamic control and A ↔ C path is a kinetic control. The overall calculated KT ≈ 1, indicating that all tautomers present in significant proportions.
This study evaluated the functional response of the larva of the predator Chrysoperla carnea by offering varying densities of cabbage aphid, Brevicoryne brassicae (L.) . Results showed conformity with type–II functional response, where the number of prey killed approaches asymptote hyperbolically as prey density increases (declining proportion of prey killed or the inverse density dependent) till it reached the stability stage determined by handling time and predator satiation. Also, the values of attack rate and handling time changed with age progress for both predator and prey. It has been observed an increase in the attack rate and reduction in handling time with the progress of the predator age when feeding on a particular nymphal in
... Show MoreSerum samples were obtained from patients suffering from chronic Rheumatoid Arthritis (RA) disease. They were divided into three groups; 20 patients with RA taking biological treatment Etanercept (Enbrel), 20 patients with RA not taking biological treatment (disease modifying anti-rheumatic drug) and 10 people as healthy control group. The ages of these patients and control group were between 46-50 years old; one male and 19 female in each group. The samples were used for measuring the levels of Interleukin (IL)-1 Beta and Interleukin-10 using the Enzyme Linked Immunosorbent Assay technique. Both interleukins were at their highest levels in the group of RA patients treated with biological treatment followed by the RA patients group that
... Show MoreThe use of heavy ions in the treatment of cancer tumors allows for accurate radiation of the tumor with minimal collateral damage that may affect the healthy tissue surrounding the infected tissue. For this purpose, the stopping power and the range to which these particles achieved of Nitrogen (N) in the skin tissue were calculated by programs SRIM (The Stopping and Range of Ions in Matter),(SRIM Dictionary) [1],(CaSP)(Convolution approximation for Swift Particles )[2]which are famous programs to calculate stopping power of material and Bethe formula , in the energy range (1 - 1000) MeV .Then the semi - empirical formulas to calculate the stopping power and range of Nitrogen io
... Show MoreThe research deals with an evolutionary-based mutation with functional annotation to identify protein complexes within PPI networks. An important field of research in computational biology is the difficult and fundamental challenge of revealing complexes in protein interaction networks. The complex detection models that have been developed to tackle challenges are mostly dependent on topological properties and rarely use the biological properties of PPI networks. This research aims to push the evolutionary algorithm to its maximum by employing gene ontology (GO) to communicate across proteins based on biological information similarity for direct genes. The outcomes show that the suggested method can be utilized to improve the
... Show MoreIn this article, the existence of thermal radiation with Copper- water nanofluid, the effect of heat transfer in unsteady magnetohydrodynamics (MHD) squeezing and suction-injection on the flow between parallel plates( porous medium) are studied. Rosseland approximation and the radiation of heat flux are used to depict the energy equation. The set of ordinary differential equations with boundary conditions are analytically resolved by applying a new approach method (NAM). The influences of thermal field and physical parameters on dimensionless flow field have been displayed in tabular and graphs form. The presented results show that the heat transfer coefficient is reduced by the thermal radiation coefficient in
... Show MoreThe 2D imaging survey was conducted across an unknown K- 3 cavity that is located in Haditha area-Western Iraq.2D measurements are collected along two intercrossing traverses above the cavity with 105m length of each one. Dipole-dipole array is performed with n-factor of 6 and a-spacing equals to 5m. The inverse models of 2D imaging technique showed clearly that the resistivity contrast between the anomalous part of cavity and background resistivity of rocks is about 800:100 Ωm .In addition, the invers models showed that the depth from ground surface to the upper roof of cavity approximately equals to 11m near the cavity operator. So, the K-3 cavity is well defined from 2D imaging with Dipole –dipole array in comparison with the actua
... Show MoreThe present study has conducted to investigate the effect of hot aqueous extract of seeds and leaves of fenugreek (Trigonella foenum-graecum) on embryonic development in Swiss albino mice morphologically , the results is showed throught dosage pregnant female orally after period 4, 8, 12days at the beginning of pregnancy by doses 100 , 200 , 300 mg/kg of body weight , the results showed normal period of pregnancy 21 days and abortion did not occur when the pregnant mice take the hot aqueous extract of leaves of fenugreek, but the pregnant mice that take the hot aqueous extract of seeds of fenugreek occurred abortion of embryos and showed some histopathological changes in ovaries and uterus such as congestion, hemorrhage, necrosis, odema,
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