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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
Tue Dec 30 2008
Journal Name
جامعة بغداد كلية التربية ابن الهيثم
تحضير وتشخيص معقدات لبعض مشتقات الحامض الاميني ‏الكلايسين مع أملاح بعض العناصر الفلزية
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تم في هذا البحث تحضير وتشخيص تسعة معقدات مع الليكاند ‏ ‎[N, N- Bis(2- hydroxy ethyl) Glycine]‎‏ ومختصره (‏Bicine‏) وثمانية معقدات مع الليكاند ‏‎[N- Tris(hydroxy Methyl) Methyl Glycine]‎‏ ومختصره (‏Tricine‏) مع بعض الايونات ‏الفلزية وقد جرى التفاعل على مرحلتين وكما ياتي:- ‏ ‏‌أ.‏ تحضير ملح البوتاسيوم لليكاندات وذلك من مفاعلة الليكاند مع هيدروكسيد البوتاسيوم وبنسب ‏‏(1:1) (قاعدة: ليكاند) في محيط كحولي للحصول على ملح الليكاند. ‏ ‏‌ب.‏ وفي المرحل

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Publication Date
Wed Mar 01 2023
Journal Name
Iraqi Journal Of Physics
Calculation Mars – Earth distance and Mars orbital elements with Julian date
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In this paper, the Mars orbital elements were calculated. These orbital elements—the major axis, the inclination (i), the longitude of the ascending node (W), the argument of the perigee (w), and the eccentricity (e)—are essential to knowing the size and shape of Mars' orbit. The quick basic program was used to calculate the orbital elements and distance of Mars from the Earth from 25/5/1950 over 10000 days. These were calculated using the empirical formula of Meeus, which depended on the Julian date, which slightly changed for 10000 days; Kepler's equation was solved to find Mars' position and its distance from the Sun. The ecliptic and equatorial coordinates of Mars were calculated. The distance between Mars and the center of the E

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Publication Date
Tue Feb 01 2022
Journal Name
Baghdad Science Journal
Ghrelin and Leptin and Their Relations with Insulin Resistance in Diabetes Mellitus Type 2 Patients
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Ghrelin and leptin are hunger hormones related to type 2 diabetes mellitus (T2DM), and the pathogenesis of T2DM is the abnormality in insulin secretion and insulin resistance (IR). The aim of this study is to evaluate ghrelin and leptin concentrations in blood and to specify the relationship of these hormones as dependent variables with some biochemical and clinical measurements in T2DM patients. In this study, forty one T2DM and forty three non-diabetes mellitus (non-DM) subjects, aged between 40-60 years and with normal weight, were enrolled. Fasting serum ghrelin and leptin were estimated by enzyme-linked immunosorbent assay (ELISA). In our results ghrelin was significantly increased, and leptin was significantly decreased, in T2DM pa

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Publication Date
Sun Apr 03 2011
Journal Name
Journal Of Educational And Psychological Researches
اتجاهات مديرات الرياض نحو الاساليب التربوية المتبعة من قبل المعلمات مع اطفال الروضة
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The aim of the research to show the direction of kindergarten‘s
headmasters with students and know the educational technique used by
the teachers with students inside kindergarten , also to know the
differences of headmasters directions towards these technique
according to changing of social state (married , unmarried ) and age
state (30-38) (39-47) (48-56) .
Also shows the sign among the direction of head masters and
educational technique used by teachers with student, where as the
importance of this research shows the importance of the kindergarten
stage and the importance of management .
The role of headmaster and teacher consider the relationship between
them and the mother so that this origin direc

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Publication Date
Tue Dec 31 2013
Journal Name
مجلة العلوم الاقتصادية والادارية
مقارنة بين مخطط السيطرة النسبي و مخطط السيطرة الضبابي المتعدد مع تطبيق عملي
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تعد لوحات السيطرة الخاصة بالمراقبة والسيطرة على نوعية الانتاج احدى الاساليب العلمية الاحصائية التي تستخدم لمراقبة سير العملية الانتاجية اثناء سيرالعنلية الانتاجية اثناء سيرها في مراحل الانتاج والتي عادة ما تتكون من حد وسطي وحدين اعلى وادنى للسيطرة على نوعية ودقة الانتاج متمثلا بقيم عددية . ومن ثم فان العملية الانتاجية اما ان تكون تحت السيطرة او خارجها بالاعتماد على قيم المشاهادات العددية. وفي بعض الاحيا

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Publication Date
Sun Jul 01 2018
Journal Name
Journal Of Educational And Psychological Researches
The relationship between critical thinking, epistemological beliefs, and learning strategies with the students’ academic performance
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The present study was conducted to investigate the relationship between critical thinking, epistemological beliefs, and learning strategies with the academic performance of high school first-grade male and female students in Yazd. For this purpose, from among all first-grade students, as many as 250 students (130 females and 120 males) were selected by using multistage cluster sampling. The data needed were then collected through using California Critical Thinking Skills Test, Schommer's Epistemological Beliefs Questionnaire, Biggs’ Revised Two Factor Study Process Questionnaire. The findings indicated that there is a positive significant relationship between critical thinking and academic performance and achievement. Moreover, four fa

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Publication Date
Thu Jun 01 2023
Journal Name
Baghdad Science Journal
Mn(II),Fe(III),Co(II)and Rh(III) complexes with azo ligand: Synthesis, characterization, thermal analysis and bioactivity
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New series of metal ions complexes have been prepared from the new ligand [4-Amino-N-(5-methyl-isaxazol-3-yl)-benzenesulfonamide] derived from Sulfamethoxazole and 3-aminophenol. Accordingly, mono-nuclear Mn(II), Fe(III), Co (II), and Rh(III) complexes were prepared by the reaction of previous ligand with MnCl2.4H2O, CoCl2.6H2O, FeCl3.6H2O and RhCl3H2O, respectively. The compounds have been characterized by Fourier-transform infrared (FTIR), ultraviolet–visible (UV–vis), mass,  1H-, and 13C-nuclear magnetic resonance (NMR) spectra and thermo gravimetric analysis (TGA& DSC) curve, Bohr magnetic (B.M.), elemental microanal

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Scopus (29)
Crossref (8)
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Publication Date
Tue Apr 18 2023
Journal Name
Al–bahith Al–a'alami
The Visual intertextuality of normalization with Israel in websites of oriented satellite channels: An Analytical study of Al Hurrah Channel
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The research aims to reveal the methods of visual intertextuality used in the websites of the oriented satellite channel which is Arabic-speaking when addressing normalization with Israel. It also indicates the sources and types of intertextual images, the methodological and semiotic mechanisms for analyzing the intertextuality of news images used on the website of Alhurra satellite channel for the period from 1/6 - 30/8/2022, which included (94) images. The researcher analyzed (37) images with intertextual dimensions, excluding (57) images, which did not carry connotations connected with the inputs and objectives of the research.

The research reach

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Publication Date
Sat Dec 01 2012
Journal Name
Journal Of Economics And Administrative Sciences
ESTIMATION OF COEFFICIENTS AND SCALE PARAMETER FOR LINEAR (TYPE 1) EXTREME VALUE REGRESSION MODEL FOR LARGEST VALUES WITH APPLICATIONS
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In this paper we estimate the coefficients and scale parameter in linear regression model depending on the residuals are of type 1 of extreme  value distribution for the largest values . This can be regard as an improvement for the studies with the smallest values . We study two estimation methods ( OLS  & MLE ) where we resort to Newton – Raphson (NR) and Fisher Scoring methods to get MLE estimate because the difficulty of using the usual approach with MLE . The relative efficiency criterion is considered beside to the statistical inference procedures for the extreme value regression model of type 1 for largest values . Confidence interval , hypothesis testing for both scale parameter and regression coefficients

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Publication Date
Wed Oct 11 2023
Journal Name
Journal Of Educational And Psychological Researches
Motivations of Volunteers in Jordan: An Exploratory Study Based on a Sample of University Students within the Context of their Social Relations
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Volunteerism is an element included in many human cultures. It represents a positive cooperative act between individuals and groups. It expresses the social value systems. As a social phenomenon, it develops in societies according to innumerous circumstances and conditions. This study uses a functional approach that assumes that volunteering performs six functions for volunteers. Namely, we assume that volunteering (1) creates a sense of protection (2) meets significant cultural values (3) improves professional status of volunteers, (4) strengthens their social relationships, (5) helps them achieve a better understanding of life, and finally, (6) enhances their outlook and self-esteem. The central aim of the study is to discuss these fun

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