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 homeostasis leading to kill ailing cells. Compound 10 represents the best suggested material which posses the potent anticancer activity due to its physicochemical properties required for anticancer drugs.
This work revealed the spherical aromaticity of some inorganic E4 cages and their protonated E4H+ ions (E=N, P, As, Sb, and Bi). For this purpose, we employed several evaluations like (0D-1D) nucleus independent chemical shift (NICS), multidimensional (2D-3D) off-nucleus isotropic shielding σiso(r), and natural bond orbital (NBO) analysis. The magnetic calculations involved gauge-including atomic orbitals (GIAO) with two density functionals B3LYP and WB97XD, and basis sets of Jorge-ATZP, 6-311+G(d,p), and Lanl2DZp. The Jorge-ATZP basis set showed the best consistency. Our findings disclosed non-classical aromatic characters in the above molecules, which decreased from N to Bi cages. Also, the results showed more aromaticity in E4 than E4H+
... Show MoreTwo simple, sensitive, accurate and economic methods A and B have been developed for the quantitative estimation of vancomycin hydrochlorid (VHC) and its formulations using another two drug compounds as a coupling reagents.The proposed methods are based on a coupling reaction between VHC and diazotized procain (method A) or diazotized sulphacetamide sodium (method B) in alkaline medium to form intense yellow, water-soluble dyes that are very stable and have a maximum absorption at 447 and 439 nm for methods A and B respectively. Regression analysis of Beer’s law plots showed good correlation in the concentration ranges 1-28 and 1-45 μg ml-1 for methods A and B, respectively with a molar absorbtivity of 4.605×104 L mol-1cm-1 and 4.516
... Show MoreProblem of water scarcity is becoming common in many parts of the world. Thus to overcome this problem proper management of water and an efficient irrigation systems are needed. Irrigation with buried vertical ceramic pipe is known as a very effective in management of irrigation water. The two- dimensional transient flow of water from a buried vertical ceramic pipe through homogenous porous media is simulated numerically using the software HYDRUS/2D to predict empirical formulas that describe the predicted results accurately. Different values of pipe lengths and hydraulic conductivity were selected. In addition, different values of initial volumetric soil water content were assumed in this simulation a
... Show MoreThe study aims to identify how to build the media message in an artistic design style (infographic) to reach the mechanism of building the media message by infographic in the researched news sites. For the survey method, which is one of the best methods used to study the subject of the research, the researcher used the method of content analysis, the employee of the research tool, a quantitative and qualitative content analysis form for the study of 74 infographics that appeared during the research period in the research sample sites. The study revealed a number of results, most notably 1. The surveyed sites employed the information in a manner based on images, shapes and data, that is, through the use of the visual element and the
... Show MoreIn the current digitalized world, cloud computing becomes a feasible solution for the virtualization of cloud computing resources. Though cloud computing has many advantages to outsourcing an organization’s information, but the strong security is the main aspect of cloud computing. Identity authentication theft becomes a vital part of the protection of cloud computing data. In this process, the intruders violate the security protocols and perform attacks on the organizations or user’s data. The situation of cloud data disclosure leads to the cloud user feeling insecure while using the cloud platform. The different traditional cryptographic techniques are not able to stop such kinds of attacks. BB84 protocol is the first quantum cry
... Show MoreIn this paper a new fusion method is proposed to fuse multiple satellite images that are acquired through different electromagnetic spectrum ranges to produce a single gray scale image. The proposed method based on desecrate wavelet transform using pyramid and packet bases, the fusion process preformed using two different fusion rules, where the low frequency part is remapped through the use of PCA analysis basing on covariance matrix and correlation matrix, and the high frequency part is fused using different fusion rules (adding, selecting the higher, replacement), then the restored image is obtained by applying the inverse desecrate wavelet transform. The experimental results show the validity of the proposed fusion method to fuse suc
... Show MoreLearning a foreign language is a highly interactive process, and a belief that communicative activities foster a great amount of linguistic production provides language practice and opportunities for negotiation of meaning during communicative exchanges. Thus, this study examines what benefits learner-centered classroom setting offers compared with that of teacher–centered classroom, and how less proficient learners accomplish their tasks and activities with scaffolded help during interaction with the help of proficient classmates and under the guidance of a skilful person, i.e., the teacher. The subjects participating in this study are 30 Iraqi 4th year college students in the Department of English, College of Arts , Univer
... Show MoreDoubts arise about the originality of a document when noticing a change in its writing style. This evidence to plagiarism has made the intrinsic approach for detecting plagiarism uncover the plagiarized passages through the analysis of the writing style for the suspicious document where a reference corpus to compare with is absent. The proposed work aims at discovering the deviations in document writing style through applying several steps: Firstly, the entire document is segmented into disjointed segments wherein each corresponds to a paragraph in the original document. For the entire document and for each segment, center vectors comprising average weight of their word are constructed. Second, the degree of cl
... Show MoreIn order to activate theatrical discourse aware of the changes imposed by the nature of the contemporary child in terms of stimulating the social skills that achieve a technical and aesthetic convergence between him and theatrical presentation by investing the fact of the existence of the child and its potential in the weaving of stories, and folk in the imagination, and simulation of what corresponds with the characters and icons interact with them through technologies In the light of this research came the following address: (ways to stimulate the skills of the child through a contemporary theatrical speech) where the researcher seeks to delineate the importance involved in the discourse of theater through ways to reach the pillars con
... Show MoreIn this research was the study of the educational values when Shafei, contained in hair Shafi'i, and that what the role of these values in the education of generations, and the possibility of their application in the educational curriculum. Find addressed Shafei life and his time. The values derived from his hair, as well as quoting from the Koran and influenced by it, which is evident in the hair, governance and eating Alomthal.okzlk Find the importance of this thought in modern education, so as to realism and ease of application. It is the search results, the Shafi'i put thought educationally integral based on the Koran rise to the level of theory. Find and conclusions: that education in its present situation
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