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

Details

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

Choose Citation Style

Statistics

View publication

6

Statistics

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.

View Publication Preview PDF

Quick Preview PDF

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

View Publication Preview PDF

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

...Show More Authors

Publication Date

Wed Mar 15 2023

Journal Name

Al-academy

Analysis of the harmonic structure in the musical compositions of the artist Khaleel Ismail

composer

harmony

music composition

Wael

Maysam

...Show More Authors

The researcher was interested in studying a crucial aspect of the systematic world music culture. He highlights the analysis of the harmonic construction in the musical compositions of the artist Khalil Ismail, where harmony is a significant Western musical science, a pillar of the structure of instrumental and vocal music.
It depends on the compositions of vertical sounds performed simultaneously, as tones coincide and are sometimes dissonant to give sound resonance that enriches musical work and attracts recipients. Hence, the researcher has many questions, including: Can the composition of the writings of the artist Khalil Ismail determine in an objective research framework? Is there a study on this subject in some detail? whic

View Publication Preview PDF

Publication Date

Mon Jan 28 2019

Journal Name

Journal Of The College Of Education For Women

The statistic structure of the title in the poetry of Muhammed Ali Kazim Haider

ثائر حسن حمد

...Show More Authors

In this research, we attempt to show the extent of harmony in an aspect of the text according to the stylistics for the Knowing of the stylistic value of the title threshold, and the pathways of titles that suggest and support the meaning when the recipient reads the literary text, in addition to the interpretations that reflect the purposes of the poet who contributed to the drawing of his poetic achievement. The research presented a brief about the poet and his most important works, because they are the text which will be studied according to the stylistics. The research also explained the concept of style and the stylistics in the preface , because of the stylistic is the method adopted by the research to study the title thresholds in

View Publication Preview PDF

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

...Show More Authors

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

View Publication Preview PDF

(1)

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

...Show More Authors

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

View Publication Preview PDF

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

...Show More Authors

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

View Publication

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

View Publication

Publication Date

Sun Jan 05 2014

Journal Name

Paripex - Indian Journal Of Research

Effect of heat treatment on the structural and optical properties of CuIn1-xGaxSe thin films

CIGS thin films

optical properties

XRD

structural properties

Iman Hameed

...Show More Authors

The structural, optical properties of cupper indium gallium selenite (CuIn1-xGaxSe) have been studied. CuIn1-xGaxSe thin films for x=0.6 have been prepared by thermal evaporation technique, of 2000±20 nm thickness, with rate of deposition 2±0.1 nm/sec, on glass substrate at room temperature. Heat treatment has been carried out in the range (373-773) K for 1 hour. It demonstrated from the XRD method that all the as-deposited and annealed films have polycrystalline structure of multiphase. The optical measurement of the CIGS thin films conformed that they have, direct allowed energy gap equal to 1.7 eV. The values of some important optical parameters of the studied films such as (absorption coefficient, refractive index, extinction coeffici

Preview PDF

Publication Date

Wed Dec 30 2020

Journal Name

Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)

The Role of Clinical Pharmacist in Reducing Drug Related Problems in Hemodialysis Patients

Drug related problems

Hemodialysis

Clinical pharmacist. Pharmaceutical care

Iraq.

Aya F.

Zinah

...Show More Authors

Abstract

Prescribing drugs to patients to treat ailments or reducing their morbidity may not be enough, even if the drugs were all indicated and in the right dose. Clinical pharmacists play a pivotal role in conducting information and instruction to patients and conveying feedback to treating physician when appropriate, and the final goal is in the interest of the patient. Identification and classification of drug related problems and discussing them with the health care providers. Prospective, interventional, clinical study for 180 hemodialysis patients, and was designed as two phases, an observational phase to identify drug related problems and classifying them according to the latest Pharmaceutical

View Publication Preview PDF

(9)

(2)

1 2 ... 94 95 96 97 ... 2830 2831