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تحضير ودراسة طيفية وحرارية لمعقدات بعض العناصر الإنتقالية مع ليكانـــــد 4- (2- بريديل آزو)- ريزورسينول
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لقد حضر في هذا البحث عدد من المعقدات الجديدة لبعض ايونات العناصر الانتقالية وهي كل من Fe(II) , Fe(III) , Co(II) , Ni(II) , Cu(II) و Zn(II) مع الكاشف العضوي -4 ( -2 بريديل آزو ) ريزورسينول المعروف ب (PAR) . حيث تم التحضير بعد تثبيت الظروف المثلى من دالة حامضية وتركيز مولاري بوساطة أطياف الاشعة فوق البنفسجية – المرئية لمحاليل مزج الايونات الفلزية مع محاليل الكاشف العضوي اعلاه ولمدى واسع من الدالة الحامضية والتركيز المولارية الخاضعة لقانون لامبرت – بير وقد تباينت ظروف التحضير بتابين الايونات الفلزية المدروسة . إذ تم تحضير ثلاثة معقدات لكل من آيوني النيكل (II) ومعقدين لآيون الكوبلت (II) ومعقدين لكل من الحديد (II) و (III) والخارصين (II) بأختلاف ظروف التحضير . كما تم التعرف على تراكيب هذه المعقدات عن طريق ايجاد النسبة المولية للفلز : الليكاند من خلال الدراسات الطيفية لمحاليل معقدات الفلزات المذكورة آنفا وذلك بأستخدام طريقة النسب المولية وقد تراوحت هذه النسب ما بين 1:1 أو 2:1 . وبعد تنقية المركبات الصلبة الناتجة درست بوساطة أطياف الاشعة فوق البنفسجية – المرئية حيث أظهرت أطياف محاليلها في الميثانول ازاحة حمراء لوحظت في منطقة الطيف المرئي لجميع المعقدات . كما درست بوساطة اطياف الاشعة تحت الحمراء إذ سجلت تغييرات واضحة لاطياف المعقدات نسبة الى طيف الليكاند الحر . ولوحظ ظهور حزم جديدة لم تكن موجودة في طيف الليكاند تدل على الاتباط الثنائي او الثلاثي السن لليكاند بالآيون الفلزي . إذ أنه من المتوقع ان تكون مواقع الارتباط لليكاند من خلال اوكسجين مجموعة الهيدروكسيل اورثو لحلقة الريزورسينول ( بعد ان تفقد بروتونها) ونيتروجين مجموعة الآزو القريبة من حلقة الريزوسينول ونيتروجين حلقة البريدين إذ تتكون حلقتان خماسيتان مستقرتان مما تعطيان استقرارا عاليا لهذه المعقدات . كما تم اجراء التحاليل الدقيقة لعناصر (N , H , C) لهذه المعقدات وتم تعيين النسب المئوية للأيونات الفلزية باستخدام مطيافية الامتصاص الذري اللهبي كما تم تعيين نسبة عنصر الكبريت وآيون الكلوريد بأستخدام طرق تحليلية مختلفة . وقد أظهرت نتائج هذه التحاليل جميعاً تقاربا للنسب المئوية المستحصلة مع النسب النظرية المحسوبة للصيغ التركيبية المقترحة لهذه المعقدات. أما دراسة التوصيلة الكهربائية لمحاليل المعقدات المحضرة في مذيبي الميثانول وثنائي ميثل فورم امايد فقد أظهرت ان المعقدات لا تمتلك صفات آيونية . كذلك فقد شملت الدراسة أيضا اجراء التحاليل الحرارية TGو DTG لليكاند الـ PAR وللمعقدات المحضرة جميعاً . وقد أثبتت هذه التحاليل وجود جزيئة ماء تبلور واحدة في جميع المعقدات ومن النسب المئوية للفقدان في الوزن التي سجلتها المنحنيات الحرارية ومقارنتها مع النسب المحسوبة نظريا فقد تم التوصل الى ان الخط العام للتحلل الحراري تضمن تكون جذور حرة للريزورسينول والبريدين مع تحرر غاز النيتروجين أثناء عملية التحلل . اما المواد الصلبة المتبقية من نواتج فهي أما العناصر او اكاسيد العناصر لكل معقد . واخيرا فقد دعمت النتائج أعلاه باجراء تحاليل طيف الكتلة الذي أثبت بما لايقبل الشك الصيغ الجزيئية المقترحة المحضرة . وتعتبر الدراستان الاخيرتان ( التحلل الحرارية وأطياف الكتلة ) الاولى من نوعها التي تجرى على ليكاند الـ PAR ومعقداتها الفلزية .

Publication Date
Sun Dec 12 2010
Journal Name
Alustath Journal For Human And Social Sciences
Suggested Approach to deal with Multicollinearity Problem – with Application –
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This research introduce a study with application on Principal Component Regression obtained from some of the explainatory variables to limitate Multicollinearity problem among these variables and gain staibilty in their estimations more than those which yield from Ordinary Least Squares. But the cost that we pay in the other hand losing a little power of the estimation of the predictive regression function in explaining the essential variations. A suggested numerical formula has been proposed and applied by the researchers as optimal solution, and vererifing the its efficiency by a program written by the researchers themselves for this porpuse through some creterions: Cumulative Percentage Variance, Coefficient of Determination, Variance

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Publication Date
Tue Oct 05 2021
Journal Name
Arab Science Heritage Journal
التراخي الدلالي وتسارعه مع (لمَّا) المقترنة بالواو أوالفاء
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Sat Apr 01 2023
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A Theoretical Study of the Docking of Medicines with some Proteins
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A set of ten drug compounds containing an amino group in the structure were determined theoretically. The parameters were entered into a model to forecast the optimal values of practical (log P) medicinal molecules. The drugs were evaluated theoretically using different types of calculations which are AM1, PM3, and Hartree Fock at the basis set (HF/STO-3G). The Physico-chemical data like (entropy, total energy, Gibbs Free Energy,…etc were computed and played an important role in the predictions of the practical lipophilicity values. Besides, Eigenvalues named HOMO and LUMO were determined. Linearity was shown when correlated between the experimental data with the evaluated physical properties. The statistical analysis was used to analy

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