Density Functional Theory (DFT) at the B3LYP/6-311G basis set level was performed on six new substituted Schiff base derivatives of PINH [(phenylallylidene) isonicotinohydrazide], The calculated quantum chemical parameters correlated to the inhibition efficiency are EHOMO (highest occupied molecular orbital energy), ELUMO (lowest unoccupied molecular orbital energy), the energy gap [ΔE(HOMO-LUMO)], hardness (η), softness (S), dipole moment (μ), electron affinity (EA), ionization potential (IE), the absolute electronegativity (χ), Global electrophilicity index ( ) and the fraction of electron transferred (ΔN), all have discussed at their equilibrium geometry and their correct symmetry (Cs). Comparisons of the order of inhibition effi

Abandoned mines and mining activities are considered one of the most significant sources of trace metal contamination worldwide. Those activities resulted in environmental contamination of particular surrounding ecosystems of abandoned ecosystems. The main aim of this study is to evaluate the trace metal contamination in the vicinity of abandoned mine located in Leicestershire English Midland. Twelve soil samples with two water samples were collected from the abandoned mine site. Test results showed a wide range of soil pH was observed from extremely acid (2.5) to slightly alkaline (7.4) as well as LOI from 8% organic matter content to 40% was found. Moreover, results demonstrated that most elements were below Soil Guideline Values (SGV)

The current study looked into heavy metal poisoning of the Euphrates river which runs from Al-Kifl to Kufa in Iraq. One of the goals of this research was to determine the pollution levels and the contamination sources. We looked at six heavy metal (Cd, Pb, Zn, Cr, Fe, and Mn) characteristics in sediment, taking samples from six sites along the Euphrates every season from March 2020 to January 2021. To assess pollution levels, three indices were chosen: enrichment factor (EF), geo-accumulation index (I-geo) and contamination factor (CF). According to EF, the Cd and Pb elements recorded considerable enrichment, very high enrichment and extremely high pollution at practically all sites in four seasons, while the remainder of the HMs recorde

In this paper, the effect of thermal radiation and magnetic field on the boundary layer flow and heat transfer of a viscous fluid due to an exponentially stretching sheet is proposed. The governing boundary layer equations are reduced to a system of ordinary differential equations. The homotopy analysis method (HAM) is employed to solve the velocity and temperature equations.

The expanding of the medically important diseases created by multidrug-resistant Acinetobacter baumannii warrants the evolve a new methodology for prevention includes vaccination and treatment. Totally of forty-five clinical isolates identified as A.baumannii were obtained from hospitalized patients from three hospital in Baghdad City during the period from February 2016 to August 2016. Followed by diagnosing using different methods. Every strain was tested for susceptibility testing also some important virulence factorswere detected. Two isolates were chosen for the immunization and vaccine model, the first one remittent for most antibiotics except one are too virulence (strong) and the second is less virulent and resistance (weak).Enzyme-

In this paper, the density of state (DOS) at Fe metal contact to Titanium dioxide semiconductor (TiO2) has been studied and investigated using quantum consideration approaches. The study and calculations of (DOS) depended on the orientation and driving energies. was a function of TiO2 and Fe materials' refractive index and dielectric constant. Attention has focused on the effect of on the characteristic of (DOS), which increased with the increasing of refractive index and dielectric constant of Fe metal and vice versa. The results of (DOS) and its relation with and values of system have been discussed. As for contact system is increased, (DOS) values increased at first, but the relation is disturbed later and transforms into an inve

In this paper some chalcones (C1-C8) are prepared based on the reaction of one mole of substituted acetophenone with one mole of substituted benzaldehydes in the presence of (40%) sodium hydroxide as a base. Pyrazolines (P1–P8) are prepared from the reaction of chalcones (C1-C8) with hydrazine hydrate. Isoxazoline (I1-I8) is prepared from the reaction of chalcones (C1-C8) with hydroxyl amine hydrochloride in the presence of (10%) sodium hydroxide as a base. These compounds are characterized by using various physical and spectral methods. The compounds are screened for their in vitro antibacterial activity using gram-positive bacteria and gram-negative bacteria. Several derivatives of pyrazolines and isoxazolines are produced well to moder

Oil from Brassca campestris (local variety) was extracted with hexane using Soxhlet. The extracted oil was characterized and its antimicrobial activity was determined as well. The content of extracted oil was 40% with 0.5% of volatile oil .Oil was immiscible with polar solvent such as ethanol, acetone and water, while it was easily miscible with chloroform due to its hydrophobicity. The result of organoleptic tests revealed that the oil is clear yellow in color and odorless with acceptable taste. The oil was stable at 4 -25 C? for a month. Refractive index (RI) of oil was 1.4723 with density of 0.914, [both at 4-25 C?]. Boiling point 386 C?. Infra red spectroscopy (IR) indicated the presence of different chemical groups (C=C