The inhibitory behavior of L-Cysteine (Cys) and its derivatives towards iron corrosion through density functional theory (DFT) was investigated. The current research study undertakes a rigorous evaluation of global as well as local reactivity descriptors of the Cys in protonated as well as neutral forms and the changes in reactivity after the combination of Cys into di- and tripeptides. The inhibitory effect of di- and tri-peptides increases since, in the molecular structure, the number of reaction centers increase. We computed the adsorption energies (Eads) and low energy complexes with most stability for the adsorption of small peptides and Cys amino acids onto the surfaces of Fe (1 1 1). We found that the adsorption of tri-peptides onto

Background: Peripheral blood lymphocytes (PBL)of Rheumatoid arthritis (RA)patients have a property of phenotypic and functional activation. Glutathione S- transferase pi (GSTπ) has been implicated in playing an important role in the initiation and progression of cellular activation.
Objectives: To determine the percentage of cellular expression of GSTπ in the lymphocytes of RA patients in comparison with controls and to explore the relation between its cellular expression and disease activity pattern.
Patients and Methods: This prospective study included46 RA patients and 17 healthy controls. Blood samples were taken and from all subjects PBL were isolated and then smeared on slides. The cellular reactivity for GSTπ was determin

After this stage in the Bible is problematic and the profane in the poetry of the AL-Sayeghs,
and found that the poems path heading towards obey religious authority because of their wills
and powers, and the insurgency in other areas, as it did not employ shady methods and puns
and intriguing, and I find the reason for this is due to the fear poet focused toward the
influence of political Sergeant, more than effusion direction ascendancy religious sergeant,
was a AL-Sayeghs stop at this border; but went to the formulations problematic diversity in
the cognitive system, he tries it all to critique, as submitted by the history of the conflicts
produced generations of oppression and conflict and tension (what my fault I

The ligand 2-[1-(1H-indol-3-yl)ethylimino) methyl]naphthalene-1-ol, derived from 1-hydroxy-2-naphthaldehyde and 2-(1H-indol-3-yl)ethylamine, was used to produce a new sequence of metal ions complexes. Thus ligand reactions with NiCl₂.6H₂O, PdCl₂, FeCl_3.6H₂O and H₂PtCl₆.6H₂O were sequentially made to collect mono-nuclear Ni(II), Pd(II), Fe (III), and Pt(IV). (IR or FTIR), Ultraviolet Reflective (UV–visible), Mass Spectra analysis, Bohr-magnetic (B.M.), metal content, chloride content and molar conductivity have been the defining features of the composites. The Fe(III) and Pt(IV) complexes have octahedral geometries, while the Ni(II) complex has tetra

  An Eigen-state expansion method is applied to the transition of the Auger de-excitation charge transfer (AD) process in the interaction between clean Cu,Al and Na surfaces and excited incident gases H and He .We use this method to describe the effective surfaces electronic structure. It's shown that the AD efficiency is deeply influenced by the presence of the energy band for the surfaces and the potential energy stored within the excited incident atom, thus for long interaction time we use a slowly atom's about 1KeV to scatter from metals surfaces where the electron couldn't probe the metal band structure and Za the surface - projectile distance. Also we drive a new formula for AD interaction Matrix element

To determine the expression of key epithelial–mesenchymal transition (EMT) markers in gingival tissue samples collected from patients with periodontitis.

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

The university course timetable problem (UCTP) is typically a combinatorial optimization problem. Manually achieving a useful timetable requires many days of effort, and the results are still unsatisfactory. unsatisfactory. Various states of art methods (heuristic, meta-heuristic) are used to satisfactorily solve UCTP. However, these approaches typically represent the instance-specific solutions. The hyper-heuristic framework adequately addresses this complex problem. This research proposed Particle Swarm Optimizer-based Hyper Heuristic (HH PSO) to solve UCTP efficiently. PSO is used as a higher-level method that selects low-level heuristics (LLH) sequence which further generates an optimal solution. The proposed a

    The main goal of this research is to determine the impact of some variables that we believe that they are important to cause renal failuredisease by using logistic regression approach.The study includes eight explanatory variables and the response variable represented by (Infected,uninfected).The statistical program SPSS is used to proform the required calculations