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

Tue Dec 01 2020

Journal Name

Journal Of Engineering Science And Technology

THE INFLUENCE OF CHEMICAL COMPOSITION OF ASPHALT CEMENT ON THE PHYSICAL AND RHEOLOGICAL PROPERTIES

ZAINAB

Mohammed Q.

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Failure in asphalt mixture and distress in pavement are major issues to roads infrastructure. Selecting an appropriate chemical composition of asphalt cement is a key component in avoiding these issues. This work aimed to investigate the effect of the chemical composition of different polar fractions on the rheological and physical properties of asphalt cement. Four types of asphalt cement with penetration grades of 20/30, 40/50, 60/70 and 85/100 were divided into four fractions. Complex shear modules, rutting resistance and rotational viscosity of the asphalt cement were determined by using a Dynamic Shear Rheometer and a Rotation Viscometer, respectively. The results show that an increase in the asphaltene content and Gastel index resulte

Publication Date

Thu Oct 01 2009

Journal Name

Iraqi Journal Of Physics

The effect of Titanium dioxide on the tensile properties of Polycarbonate and Polystyrene Polymers

Titanium dioxide

Z. R.

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This research study the effect of Titanium dioxide on the tensile properties of
Polystyrene (PS) and Polycarbonate (PC) polymers. The stress – strain curve for pure PS
and pure PC, shows that Young modulus for PS is higher than Young modulus for PC,
because PS have higher ultimate strength than PC.
The addition of TiO2 to PS and PC will reduce the Young modulus and ultimate stress,
because the TiO2 particles will reduces or freeze the orientation of these molecular chain
and reduced the toughness of PC, while when the TiO2 were added to PS, the value of
toughness will be stabilized because TiO2 particles make these chains interlocked and the
mobility of the chains will be restrict.

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Publication Date

Fri May 01 2020

Journal Name

Journal Of Engineering

Improvement of the Rheological and Filtration Properties of Drilling Mud Using the Syrian Clay

Syrian clay

Drilling fluids

Rheological property

Filtration control

adnan Ibrahim

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Drilling fluid properties and formulation play a fundamental role in drilling operations. The Classical water-based muds prepared from only the Syrian clay and water without any additives((Organic and industrial polymers) are generally poor in performance. Moreover, The high quantity of Syrian clay (120 gr / l) used in preparing drilling fluids. It leads to a decrease in the drilling speed and thus an increase in the time required to complete the drilling of the well. As a result, the total cost of drilling the well increased, as a result of an increase in the concentration of the solid part in the drilling fluid. In this context, our study focuses on the investigation of the improvement in drilling mud Prepa

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Publication Date

Fri Jan 01 2021

Journal Name

Prepodavatel Xxi Vek

The Structure of Russian Participles: Special Features of the Grammar Meaning of State

THE STRUCTURE OF RUSSIAN PARTICIPLES: Special Features of the Grammar Meaning of State

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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.

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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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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

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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

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

Tue Jul 02 2024

Journal Name

Full Text Book Of Rimar Congress10

DEVELOPING THE FINE ART STRUCTURE OF THE NATURAL HISTORY MUSEUM LOGO'S DESIGN

Raghad

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The characteristic feature of a structure is that it accepts changes in form; this fact gives the structure features represented by the unity of its parts and wholeness. Accordingly, structure theorists consider the structure the major factor in composing the parts within the wholeness of the visual cognition according to a methodological adaptation of the creative processes in treating the elements of the logo, and this would make the logo have a visual identity that provides the recipient with a holistic description of the content of the materialistic representation. Additionally, the logo achieves identification between the concept and the reality at many times; therefore, it represents an entity that has characteristics and mean

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Publication Date

Sun Jan 24 2016

Journal Name

Al-academy

The Creative Imagination In the structure of Designed work: أيمان طه ياسين

Eman

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In the marsh of the vast technical development and its reflections on the public life in all of its forms man lives in the shade of this and that and he is in a disprate need to took attentively at his reality through a new artistic vision which the imagination gives it , its value, from this point we find the designers pay great efforts in creating advertising designs that creation and fertile imagination are consisting one unit, and through her flying study on the reality of employing the creative imagination in the designing of printed advertisements, the researcher submitted her questions where some of which are: -What are the requirements of employing the creative imagination in the designing process? And -What are the machineries o

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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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