The formation, structure, and electronic properties of Lansoprazol drug and cucurbit [7]urils complex (Theoretical Study)

Hamdia H.Jawad  Al-Shammary; Waleed Madhloom Khalaf

doi:10.21123/bsj.2016.13.2.2NCC.0034

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Publication Date

Sun Jun 05 2016

Journal Name

Baghdad Science Journal

Volume

13

Issue Number

2.2NCC

DOI

10.21123/bsj.2016.13.2.2NCC.0034

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The formation, structure, and electronic properties of Lansoprazol drug and cucurbit [7]urils complex (Theoretical Study)

"host- guest complex

Semiemprical PM3

DFT calculation

lansoprazol

electronic properties"

Hamdia H.Jawad Al-Shammary

Waleed Madhloom Khalaf

...Show More Authors

The current study deals with host-guest complex formation between cucurbit [7] urils as host and lansoprazole as guesti using PM3 (semi empirical molecules orbital calculations) also DFT calculations. In this complex, the formation of hydrogen bonding may be occurred through portal oxygen atoms(O2) of cucurbit [7] urils and amine groups (NH 2 )of the drug. The energies of HOMO and LUMO orbital’s have been computed for the host guest complex and its components. The result of the stabilization energy explained a complex formation.

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Publication Date

Wed Mar 30 2022

Journal Name

Journal Of Educational And Psychological Researches

The degree of using electronic educational alternatives in education from the teachers 'and female teachers' point of view Intermediate stage in southern border schools and its relationship to some variables

educational alternatives

southern border

e-learning

virtual education

Abdullrhman Hussain Alabdli

Naif Mohammed Jabli

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The aim of the current research is to know the degree to which middle school teachers and female teachers in the southern border schools use electronic educational alternatives in the field of education from their point of view and its relationship to some variables, and to achieve this goal, a random sample of (200) teachers was selected in southern border schools, and a questionnaire was prepared to collect The data, as well as the descriptive approach was used to achieve this goal. T-test and analysis of variance were used for the statistical treatment. The results concluded that the educational courses provided to male and female teachers are not sufficient. It has also been concluded that the use of electronic educational alternativ

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Publication Date

Sun Sep 01 2013

Journal Name

Baghdad Science Journal

Synthesis, Spectral Studies, and Theoretical Treatment of New Ni(II),and Co(II) Complexes of Bidenetate Ligands 2-Benzamido Benzothiazole ,and 2-Actamido Benzothiazole

Benzamidobenzothiazole

Actamidobenzothiazole

Metal complexes.

Mahasin F.

Ameena N.

...Show More Authors

New metal complexes of the ligands 2-benzamido benzothiazole(B1), and 2-actamido benzothiazole(B2) with metal ions Ni(II),and Co(II) were prepared in alcoholic medium. The prepared complexes were characterized by FT-IR and electronic spectroscopy, Magnetic susceptibility, Flame Atomic Absorption technique as well as elemental analysis and conductivity measurement. From the spectral studies, an octahedral monomer structure proposed for Ni(II) complexes, and a tetrahedral monomer structure for Co(II)complexes.Semi-empirical methods (PM3,and ZINDO/1)were carried out to evaluate the heat formation( ?H?f)binding energy(?Eb) and dipole moment(µ)for all metal complexes. Also vibration frequencies, Electrostatic potential, HOMO and LUMO

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Publication Date

Sat Jan 25 2025

Journal Name

Indonesian Journal Of Chemistry

Synthesis of CuO Nanoparticles from Copper(II) Schiff Base Complex: Evaluation via Thermal Decomposition

benzidine

copper(II) Schiff-base complex

CuO nanoparticles

energy gap

nanoparticles

Ali Mudher Abdulkareem

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Copper oxide (CuO) nanoparticles were synthesized through the thermal decomposition of a copper(II) Schiff-base complex. The complex was formed by reacting cupric acetate with a Schiff base in a 2:1 metal-to-ligand ratio. The Schiff base itself was synthesized via the condensation of benzidine and 2-hydroxybenzaldehyde in the presence of glacial acetic acid. This newly synthesized symmetric Schiff base served as the ligand for the Cu(II) metal ion complex. The ligand and its complex were characterized using several spectroscopic methods, including FTIR, UV-vis, 1H-NMR, 13C-NMR, CHNS, and AAS, along with TGA, molar conductivity and magnetic susceptibility measurements. The CuO nanoparticles were produced by thermally decomposing the

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Publication Date

Sat May 31 2025

Journal Name

3rd International Scientific Conference For Human And Social Studies And Epistemological Challenges

Frankenstein Complex in Daniel H. Wilson's Robopocalypse ( ): Artificial Intelligence Conspiracies

With the advent of technology

the fear of losing control has consistently accompanied humanity. While humans have discovered

invented

and created many remarkable things

they have also been haunted by the possibility of their creations turning against them. This fear

often referred to as the Frankenstein Complex

derives its name from Mary Shelley's Frankenstein (􀀔􀀛􀀔􀀛)

in which Dr. Frankenstein's creation ultimately destroys its maker. The Frankenstein Complex embodies the subconscious fear of artificial intelligence (AI) surpassing and potentially dominating humankind. This apprehension has inspired numerous literary works

including Daniel H. Wilson’s novels. The present study examines the widespread fear of AI

which has fueled conspiracy theories in literature. These theories have not only amplified public anxiety but also hindered understanding among those with limited knowledge of AI and robotics. Dr. Wilson

a robotics expert

uses his imagination as a driving force for both his writing and his inventions. The research focuses on incidents leading to the rise of robots

the concept of the New War

how it was fought

and how it concluded. By comparing

contrasting

and analyzing literary elements and devices with prominent conspiracy theories

the study highlights the interplay between fiction and scientific development. The researchers conclude that while many conspiracy theories contain elements of truth

they often inspire scientists to explore them further. Additionally

some conspiracy theories warrant serious consideration. The study recommends acknowledging the Frankenstein Complex while maintaining faith in the potential benefits of artificial intelligence.

Ansam

Mayada

Zahraa

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Publication Date

Wed Jan 01 2025

Journal Name

Aip Conference Proceedings

Biofilm formation rate measurement in water and biomedical systems using photometric smartphones applications

Ghanim

Qater Al-Nada Ali Kanaem

Ayat Khairi

...Show More Authors

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Publication Date

Sun Mar 30 2025

Journal Name

Iraqi Journal Of Chemical And Petroleum Engineering

Lithology and minerals identification from well logs for Mishrif Formation in Ratawi oilfield

Lithology

Minerals

Mishrif formation

Ratawi oilfield

Farah A.

Omar

Ali

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Lithology identification plays a crucial role in reservoir characteristics, as it directly influences petrophysical evaluations and informs decisions on permeable zone detection, hydrocarbon reserve estimation, and production optimization. This paper aims to identify lithology and minerals composition within the Mishrif Formation of the Ratawi Oilfield using well log data from five open hole logs of wells RT-2, RT-4, RT-5, RT-6, and RT-42. At this step, the logging lithology identification tasks often involve constructing a lithology identification model based on the assumption that the log data are interconnected. Lithology and minerals were identified using three empirical methods: Neutron-Density cross plots for lithology id

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Publication Date

Tue Apr 01 2014

Journal Name

Journal Of Economics And Administrative Sciences

Re-distribution of income in favor of the poor - theoretical entrance of stagnation treatment

: Marginal propensity to consume

Production elements

The sticky wages

Ground rent

Double taxation

Deflationary pressures

Inflationary pressures

Monopolistic profit

Competitive Profit

Stagflation

Brain Revenue

Fair Globalization

Social Market Economy

Individual welfare

Sustainable development

Social Responsibility

Social Solidarity

The fragile Slices.

عبد الحسين

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Research deals the crises of the global recession of the facets of different and calls for the need to think out of the ordinary theory and find the arguments of the theory to accommodate the evolution of life, globalization and technological change and the standard of living of individuals and the size of the disparity in income distribution is not on the national level, but also at the global level as well, without paying attention to the potential resistance for thought the usual classical, Where the greater the returns of factors of production, the consumption will increase, and that the marginal propensity to consume may rise and the rise at rates greater with slices of low-income (the mouths of the poor) wi

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Publication Date

Sun Dec 31 2006

Journal Name

Journal Of Engineering

Theoretical Simulation Of Stress-Strain Relations For Some Iraqiclays Using The Endochronic Model

Muhammad

Aqil

maysam

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Publication Date

Wed Oct 21 2020

Journal Name

British Journal Of Cancer

Epigenome-wide analysis reveals functional modulators of drug sensitivity and post-treatment survival in chronic lymphocytic leukaemia

Timothy M.

Sirintra

Fadhel

Kateryna

Laura

Gesa

Susan J.

Jonathan P.

Helen

Scott

Nick

Elaine

Gordon

...Show More Authors

Abstract<sec> <title>Background

Chronic lymphocytic leukaemia (CLL) patients display a highly variable clinical course, with progressive acquisition of drug resistance. We sought to identify aberrant epigenetic traits that are enriched following exposure to treatment that could impact patient response to therapy.

Methods

Epigenome-wide analysis of DNA methylation was performed for 20 patients at two timepoints during treatment. The prognostic significance of differentially methylated regions (DMRs) was assessed in independent cohorts of 139 and 1

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Publication Date

Sun May 10 2020

Journal Name

Baghdad Science Journal

Characterization and Biological Activity of Some New Derivatives Derived from Sulfamethoxazole Compound: new derivatives from sulfamethoxazole drug.

Biological activity

Characterization

Sulfamethoxazole

Synthesis.

Sanaa A.

...Show More Authors

A new series of Sulfamethoxazole derivatives was prepared and examined for antifibrinolytic and antimicrobial activities. Sulfamethoxazole derivatives bear heterocyclic moieties such as 1,3,4-thiadiazine {3}, pyrazolidine-3,5-diol {4} 6-hydroxy-1,3,4-thiadiazinane-2-thione {5} and [(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl] {8}. Their structures were elucidated by spectral methods (FT-IR, H¹-NMR). Physical properties are also determined for all compound derivatives. Recently prepared compounds were tested for their antimicrobial activity in the laboratory. Each screened compound showed good tendency to moderate antimicrobial activity.

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