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GEOMETRY OPTIMIZATION OF COUPLING ALLIN -METFORMIN USING DFT/B3LYP MOLECULAR MODELLING TECHNIQUE: GEOMETRY OPTIMIZATION OF COUPLING ALLIN -METFORMIN USING DFT/B3LYP MOLECULAR MODELLING TECHNIQUE
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This researchpaper includes the incorporation of Alliin at various energy levels and angles 

With Metformin using Gaussian 09 and Gaussian view 06. Two computers were used in this work. Samples were generated to draw, integrate, simulate and measure the value of the potential energy surface by means of which the lowest energy value was (-1227.408au). The best correlation compound was achieved between Alliin and Metformin through the low energy values where the best place for metformin to bind was through (CH2-).  This is considered to be very useful for the industrial application of drugs.

This level of calculation was used for physical and quantum properties such as total energy, HOMO and LUMO orbitals energies, and power gap. Besides, the calculation of FT-IR spectra in the range 400-4000 cm-1 was calculated in addition to the essential vibrational frequencies and the intensity of the vibrational bands. Moreover, the chemical displacement of the 1H and 13C NMR of the compound in the ground state was studied.

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Publication Date
Wed Oct 02 2024
Journal Name
International Development Planning Review
DESIGNING AN AUXILIARY DEVICE AND ITS IMPACT ON LEARNING THE SKILLS OF ANGULAR SUPPORT AND OPEN SUPPORT FOR HANDSTAND PUSH-UPS ON THE PARALLEL APPARATUS IN ARTISTIC GYMNASTICS FOR BUDS
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Publication Date
Sun Jan 02 2022
Journal Name
Journal Of The College Of Languages (jcl)
Word-Formation System And Its Influence On The Translation Of New Vocabulary In Russian And Arabic: Словообразовательная Система И Ее Влияние На Перевод Новой Лексики В Русском И Арабском Языках
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Derivational word formation process is one of the most substantial linguistic procedures that solves many problems in the translation of the language new vocabulary and helps to comprehend the smallest language component that not simply semantically and structurally explain the elements  of both Russian and Arabic but also enables translators to comprehend the derivational method procedures of both languages. It also reveals the structural aspects of translation equivalences, cognitive and semantic foundations of translation. The rapid development of languages and the appearance of a new vocabulary like ṭabaʿa "print → ṭābiʿat "printer", kataba "to write" → kātib → kātibat, rafaʿa "to raise" → rāfiʿat "a crane" d

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Publication Date
Tue Sep 01 2020
Journal Name
Al-nahrain Journal Of Science
Spectrophotometric Determination of Co(II) in Vitamin B12 Using2-(biphenyl-4-yl)-3-((2-(2,4-dinitrophenyl) hydrazono)methyl) imidazo [1,2-a]pyridine as Ligand by Flow Injection–Merging Zone Analysis
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Publication Date
Mon Feb 21 2022
Journal Name
Frontiers In Immunology
The Ability of Resveratrol to Attenuate Ovalbumin-Mediated Allergic Asthma Is Associated With Changes in Microbiota Involving the Gut-Lung Axis, Enhanced Barrier Function and Decreased Inflammation in the Lungs
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Asthma is a chronic respiratory disease highly prevalent worldwide. Recent studies have suggested a role for microbiome-associated gut–lung axis in asthma development. In the current study, we investigated if Resveratrol (RES), a plant-based polyphenol, can attenuate ovalbumin (OVA)-induced murine allergic asthma, and if so, the role of microbiome in the gut–lung axis in this process. We found that RES attenuated allergic asthma with significant improvements in pulmonary functions in OVA-exposed mice when tested using plethysmography for frequency (F), mean volume (MV), specific airway resistance (sRaw), and delay time(dT). RES treatment also suppressed inflammatory cytokines in the lungs. RES modulated lung microbiota and cause

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Publication Date
Thu Apr 30 2026
Journal Name
International Journal Of Design & Nature And Ecodynamics
The Health Impact of Workers' Exposure to Particulate Matter (PM2.5, PM10) and Gaseous Pollutants (CO2, CO, NO2, SO2) Emitted from Barbecue Grills in Some Restaurants in Al-Rusafa District/Baghdad
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This study aimed to evaluate the health effects of exposure to particulate matter (PM2.5 and PM10) and gaseous pollutants, including carbon dioxide (CO2), carbon monoxide (CO), nitrogen dioxide (NO2), and sulfur dioxide (SO2), on the hematological parameters of workers exposed to charcoal grilling emissions in restaurants. Air pollutant concentrations were measured in six barbecue restaurants located in Al-Rusafa District, Baghdad, during December 2024 and January 2025. Nine measurements were recorded monthly during morning and evening peak cooking periods. Blood samples were collected from two groups: grilling workers exposed directly to charcoal smoke (n = 30) and customers from dining areas as the control group (n = 30). Hematological an

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Publication Date
Thu Jan 06 2022
Journal Name
Iraqi National Journal Of Nursing Specialties
Effectiveness of an Educational Program on Mothers’ Attitudes toward Readiness for Discharge Care at Home for a Premature Baby in Intensive Care Unit at Teaching Hospitals in Medical City Complex
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Objectives:
To evaluate mothers’ attitudes toward readiness for discharge care at home for a premature baby in Intensive Care Unit at teaching hospitals in Medical City Complex and to find out the relationship between mothers’ attitudes and their socio-demographic characteristics.
Methodology: A quasi-experimental study design was carried out through the period of 6th January 2020 to 2021 to 11th March 2021, to evaluate mother’s attitude toward discharge care plan for premature babies. The study carried out in Welfare Teaching Hospital, Nursing Home Hospital and Baghdad Teaching Hospital at Medical City Complex in Baghdad City on 30 mother of premature babies in neonatal intensive care units using the nonprobability sampling

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Publication Date
Mon Sep 01 2025
Journal Name
Materials Today Chemistry
Corrigendum to ‘Revisiting the role of [BMIm]Cl ionic liquid in carboxymethyl cellulose-based polymer electrolytes: Insights from experimental and density functional theory modeling’ [Mater. Today Chem., 47 (2025), 102821]
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Lithium-based rechargeable batteries (LbRBs) are essential for applications in vehicles, wearable electronics, and large-scale energy storage due to their high energy density. However, safety concerns associated with flammable organic electrolytes hinder further development. Advancing Li-ion battery technology requires improved conductivity, energy density, and safety, particularly in the development of all-solid-state lithium-ion batteries (ASSLiBs). This work explores carboxymethyl cellulose (CMC)-based solid polymer electrolytes (SPEs) as sustainable alternatives for lithium-ion batteries. The synergistic effects of 1-butyl-3-methyl imidazolium chloride ([BMIm]Cl) ionic liquid, as a plasticizer, and lithium acetate (LiCH3COO) enhance the

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Publication Date
Thu Dec 15 2022
Journal Name
Alustath Journal For Human And Social Sciences
شموع في بابل: رحلة دنيس لفرتوف الروحية
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خصتظهر اعمال دنيس لفرتوف (1923-1997) ميلها بوضوح الى وصف القضايا الدينية، إذ تشير الصور الدينية في اعمالها اما الى قناعة عميقة بوجود اله،او انه مجرد وصف لعجائب عالم ماوراء الطبيعة ،بالرغم ةيرعشلااهتعومجمنالااةينيدلاتاراعشلانمريثكلايوحتاهلامعانانم"شموع في بابل" اخذت مسار اخر.حيث انها تعطي وصف و اضح الى الطريقة التي اتبعتها الشاعرة في رحلها الروحية الطويلة والتي تشبه رحلة الشاعر نوجبنيان في "رحلة الحاج"(1678 )في و

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Publication Date
Tue Dec 31 2019
Journal Name
Journal Of Engineering
A High Resolution 3D Geomodel for Giant Carbonate Reservoir- A Field Case Study from an Iraqi Oil Field
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Constructing a fine 3D geomodel for complex giant reservoir is a crucial task for hydrocarbon volume assessment and guiding for optimal development. The case under study is Mishrif reservoir of Halfaya oil field, which is an Iraqi giant carbonate reservoir. Mishrif mainly consists of limestone rocks which belong to Late Cenomanian age. The average gross thickness of formation is about 400m. In this paper, a high-resolution 3D geological model has been built using Petrel software that can be utilized as input for dynamic simulation. The model is constructed based on geological, geophysical, pertophysical and engineering data from about 60 available wells to characterize the structural, stratigraphic, and properties distri

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Publication Date
Mon May 08 2017
Journal Name
Research Journal Of Pharmaceutical, Biological And Chemical Sciences
Structure, Diagnosis, and in the Vitro Antimicrobial evaluation of 2-amino pyridine-derived Ligand Schiff base and its complexes with Cu (II), Hg (II), Ni (II), Mn (II) and Co (II
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