Theoretical study of ten crown ethers substituents were established to investigate some parameters that give clear view about their validity and applicability in the design of anticancer agents. Restricted hartree fock method (RHF/3-21G) were used to determine the energy difference between highest occupied molecular orbital and lowest unoccupied molecular orbital (HOMO-LUMO gap) , ionization energy, global hardness and total energy. Strong binding ability with potassium ion were obtained in some of these compounds depend on the type of substituents added to both nitrogen atoms out of the ring cavity. Such binding with potassium in abnormal and divided cancer cells result in inhibition of tumor cell growth by disrupting potassium ion home

the influence of permeability tensor upon drainage of anisotropic soils under ponded water and steady recharge (rainfall) is theoretically investigated. Tensorial permeability has led to the formulation of mixed type partial differential equations. Since there is no analytical solution to this problem, the formulation is therefore solved numerically by the method of finite elements. The finite element formulation is implemented into a computer model which can be applied to any problem of seepage under steady state
conditions. Two different example problems representing two different flow conditions under full anisotropy have been studied. Results of the model for the isotropic case were checked against exact mathematical solutions de

The pandemic SARS-CoV-2 is highly transmittable with its proliferation among nations. This study aims to design and exploring the efficacy of novel nirmatrelvir derivatives as SARS entry inhibitors by adapting a molecular modeling approach combined with theoretical design. The study focuses on the preparation of these derivatives and understanding their effectiveness, with a special focus on their binding affinity to the S protein, which is pivotal for the virus’s access to the host cell. Considering molecular docking aspects in the scope of a study on nirmatrelvir derivatives and S protein, dynamics simulations with 25 nanoseconds of their binding are explored. The study shows that these derivatives might work as effective antivi

Abstract
The research hypothesizes is that the external Environment
has the responsibility concerning decisions making and behavioral
upon industrial firms. It is, Furthermore, an attempt to review the
problem of closures of private industrial firms in the country, during
the period (1976-1985), i.e. prior to and during the Iraqian- Iranian
war.
The behavioral approach of industrial geography has been
adopted as a theoretical background and the statistical test has
been practiced for the applied purposes.
As result, the research comes out with suggestions,
depending upon previous trials in the field of direction and
formulation of the of the private industrial sector. The chief point
among th

In this paper we introduce a new class of operators on Hilbert space. We
call the operators in this class, n,m- powers operators. We study this class
of operators and give some of their basic properties.

      The present work investigated the effect of distance from target surface on the parameters of lead plasma excited by 1064nm Q-switched Nd:YAG laser. The excitation was conducted in air, at atmospheric pressure, with pulse length of 5 ns, and at different pulse laser energies. Electron temperature was calculated by Boltzmann plot method based on the PbI emission spectral lines (369.03 nm, 416.98 nm, 523.48, and 561.94 nm). The PbI lines were recorded at different distances from the target surface at laser pulse energies of 260 and 280 mJ. The emission intensity of plasma increased with increasing the lens-to-target distance. The results also detected an increase in electron temperature with increasing the di

In this paper, we will give another class of normal operator which is (K-N)*
quasi-n-normal operator in Hilbert space, and give some properties of this concept
as well as discussion the relation between this class with another class of normal
operators.

The target of this study was to synthesize several new Ciprofloxacin drug analogs by providing a nucleophilic substitution procedure that provides new functionality at the carboxylic group location. The analogs were synthesized, designed, and characterized by ¹HNMR, and FTIR. The synthetic path began from the reaction of ciprofloxacin drug with morpholine to give compound[B], ciprofloxacin derivative was linked with a variety of primary and secondary amines to give compounds[B1-B9]. The above-mentioned prepared compounds [B3 and B5] were applied to liver enzymes, and the increase in the activity of these enzymes was observed. In addition, a theoretical study was conducted to study the energies and properties of the prepared co

The fouling depositions of crude oil stream were studied theoretically in a shell and tube heat exchanger to investigate the effect of depositions on the heat transfer process. The employed heat exchanger was with steam flowing in the inner tubes and crude oil in the shell at different velocities and bulk temperatures. It is assumed that fouling occurs only on the heated stream side (crude oil). The analysis was carried out for turbulent flow heat transfer conditions with wide range of Reynolds number, bulk temperature and time. Many previously proposed models for fouling resistance were employed to estimate a new model for fouling rate. It is found that the fouling rate and consequently the heat transfer coefficient were affected by Rey

The  spherical  double pole-piece  electron  lens i§ depend  on some

fact0rs : the-  minimum va}ue-of projector  fo·cal  length (Fp)i:J,Iill  â€¢  the

maximum value of  magnetic flux density (Bm) , the total  hal[ width

,(W)  o'f asyriunetrical   clln'e  of  magnetic field  distribution  [because there are differe_nt values of bore diameter  (D1) • i.                                           &