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دراسة التاثيرات الانجابية لبعض العناصر النزرة على العقم عند الرجال في محافظة ذي قار - العراق == Reproductive Effects of Some Trace Elements On Male Infertility, In Thi - Qar Governorate/Iraq

Author name: ملاك حريز نعيم الخفاجي
Supervisor name: ساجد حسن كزار | ايناس صالح جواد
General topic: Chemistry
Specific topic: Analytical Biochemistry
Degree: Master
Language: English
University location: Dhi Qar
First pages:

تحضير وتشخيص وتقيم الفعالية البيولوجية لبعض مركبات الفورمازان المشتقة من قواعد شف الجديدة ومعقداتها مع بعض العناصر الانتقالية == Synthesis, characterization and biological evaluation of some new Formazan compounds derived from Schiff Bases and their complexes with some transition Metals.

Author name: اعراف محمود داود
Supervisor name: حيدر عباس مهدي
General topic: Chemistry
Specific topic: Chemistry
Degree: Master
Language: English
University location: Dhi Qar
First pages:
Abstract: This thesis contains three chapters represents, the first chapter introduction and interested in studying the chemistry of schiff base and derivatives of formazan, their complexes in terms of their characteristics, importance and synthesis.The second chapter is interested in describing the chemicals and procedures used in the synthesis of the required compounds, and the study of physical measurements, synthesis methods of compounds and evaluation as well as the biological activity.In this research, four new derivatives of formazan (L3, L4, L5 - 4d), which synthesized from the reaction of Diazonium salt amine with suitable Schiff base (L1, L2 - 2d). The Schiff base can product of different primary amines with several aromatic aldehyde and synthesized both of the (Schiff bases, formazans) suitable complexes.The third chapter Results and Discussion, identified synthesized formazan derivatives as well as Schiff bases prefix and its complexes by appropriate spectral methods including of infrared spectroscopy (FT - IR) for all compounds, Nuclear Magnetic Resonance spectrum (1H - NMR) for all compounds Microanalysis (CHNS) for the majority of compounds as well as Mass spectra. For all complexes were recording certain physical properties, such as melting point (m.p.). Monitoring progress of the chemical reaction by using thin chromatography layer (TLC). We synthesis eight complexes (three from Schiff bases and five from formazan derivatives) were complexes with ions (Co, Ni, Cd), then measuring the molar conductivity of complexes. Then study the biological effectiveness for some compounds have been chosen complexes Schiff bases, as well as formazan complexes to determine the effect of active groups in these compounds to evaluate the efficiency ofXIthe compounds against different type of bacteria.The research also includes a test of biological effectiveness of the prepared ligands and their metallic complexes, where we study response inhibitory to the three types of bacteria, a gram positive type of bacteria (Staphylococcus aureuse) and gram negative type of the bacteria (Escherichia Coli and salmonella species) and compared with the standard inhibitor (Cipro).The biological effectiveness swohs positive results as it was noted The ligand L1, L2, L3, L4, L5 and Schiff base 4d Showed lower efficiency than the standard inhibitor trend three types of bacteria. The prepared complexes from ligands appeared high effective than the effectiveness of the ligands itself The formazan (L3, L4, L5 dna 2d) appeared high effective than the effectiveness of the prepared Schiff base

تخليق وتشخيص بعض المركبات الاحادية والثنائية للكاما لاكتام والثايزوليدينون == SYNTHESIS AND CHARACTERIZATION OF SOME MONO AND BIS ? - LACTAMS AND THIAZOLIDINONES COMPOUNDS

Author name: اصالة سلام جبر
Supervisor name: محمود شاكر مكطوف التميمي
General topic: Chemistry
Specific topic: Organic Chemistry
Degree: Master
Language: English
University location: Dhi Qar
First pages:
Abstract: This study is concerned with the synthesis and characterization of mono, bis γ - lactams 3(a - h) and mono, bis Thiazolidinone 4(a - i). The structures of the prepared compounds are confirmed by the spectral data include FT - IR spectroscopy , 1H - NMR spectroscopy , 13C - NMR spectroscopy, Mass spectroscopy.Mono and bis γ - Lactams are prepared by reacting Phenyl succinic anhydride with the appropriate Schiff base , in dry chloroform. The obtained mono and bis γ - lactams 3(a - g) is in moderate yields (51 - 75%).The FT - IR spectra showed an absorption bands at (1636 - 1692 cm - 1) attributed to amide carbonyl group ( - N - C=O), and at (1699 - 1733 cm - 1) carboxylic group which attributed (COOH) . The 1H - NMR spectra of compounds 3(a - g),show signals of the aliphatic protons at rang (3.356 - 4.02) ppm and signals for aromatic protons at rang (7.202 - 8.218) ppm. The 13C - NMR spectra of compounds 3(a - e), show signal at rang (171.30 - 178.58) ppm which related amide carbon ( - N - C=O), and at rang (178.32 - 182.16) ppm carboxylic carbon (COOH).Mono and bis Thiazolidinones are prepared by the reaction of thioglycolic acid with Schiff base, in dry benzene. The produced Thiazolidinones 4(a - f) is in moderate yields (55 - 78%).The FT - IR spectra showed an absorption band at (1654 - 1691 cm - 1) attributed to carbonyl group which is related to ( - N - C=O). The 1H - NMR spectra show signals of the aliphatic protons at rang (4.2 - 7.1) ppm and signals for aromatic protons at rang (7.352 - 8.015) ppm. The 13C - NMR spectra show signals at rang (172.32 - 179.52) ppm which is related to amide carbonyl group ( - N - C=O).

دراسة مستويات مصل الهوموسيستين وعلاقته مع بعض انزيمات القلب في المرضى الذين يعانون من احتشاء عضلة القلب في محافظة ذي قار - العراق == Study of Serum Homocysteine levels and Its Correlation with Some Cardiac Enzymes in Patients with Myocardial Infarction In Thi - Qar Province/Iraq

Author name: اديان سعد حمزة
Supervisor name: محمد عجة عودة
General topic: Chemistry
Specific topic: Analytical Biochemistry
Degree: Master
Language: English
University location: Dhi Qar
First pages:
Abstract: Myocardial infarction (MI) or acute myocardial infarction (AMI) is the medical term for an event commonly known as heart attack. An MI occurs when blood stops flowing properly to a part of the heart, and the heart muscle is injured because it is not receiving enough oxygen. Biochemical tests are restricted to monitoring cardiac enzymes activities. Therefore, introducing homocysteine test in hospitals for MI patients may provide a clearer picture on the patient condition and help in the disease management.The study was conducted during the period from October 2015 till August 2016. Sixty - three of the people who have a history of injury in the acute myocardial infarction are studied. The diagnosis is based on the clinical presentation and confirmed by ECG, and cardiac enzyme. Forty - eight of persons as healthy volunteers were selected as a control group.The results indicated the following : The proportion of patients male (57%) and females (43%), smokers (49%) and non - smokers (51%), most of them are females. The results also showed that (32%) live in cities, compared to (68%) live in rural areas, and patients Serum homocysteine was significantly higher in MI patients compared to the control group. Homocysteine levels were higher in smokers(p = 0.0001). and unemployed individuals(p < 0.0001)., as well as in individuals with family history of MI or CAD(p < 0.0001). High hypertensive, diabetic and obese individuals had also higher levels of homocysteine . Based on the results of this study suggested measuring the amino acid Homocysteine levels of security as one of the effective ways to diagnose patients with myocardial infarction in hospitals

دراسة كيمو حيوية مقارنه للاجهاد التاكسدي وانماط الدهون في المرضى كبار السن المصابين بمرض الارتجاف الاذني في محافظة ذي قار العراق == A Biochemical Comparative Study of Oxidative Stress and Lipid Profile in Elderly Patients With Atrial Fibrillation in Thi - Qar Governorate/Iraq

Author name: سارة عاشور ساير
Supervisor name: رائد معلك حنون الصالح | عدنان الطعان الخفاجي
General topic: Chemistry
Specific topic: Chemistry
Degree: Master
Language: English
University location: Dhi Qar
First pages:
Abstract: Atrial fibrillation (AF) is the most common cardiac arrhythmia in the general population, and a major cause of morbidity and mortality. Lifetime risk for development of AF has been estimated to 1 in 4 in individuals aged 40 years or more.The present study is designed to determine the levels of oxidative stress by measuring lipid peroxidation product (malondialdehyde MDA), antioxidant state by measuring some antioxidants such as (ceruloplasmin Cp, Transferrin Tf, albumin Alb ,uric acid Ua) ,in addition to lipid profile (cholesterol TC, triglyceride TG, high density lipoprotein cholesterol HDL - C, low density lipoprotein cholesterol LDL - C and very low density lipoprotein cholesterol VLDL - C) in atrial fibrillation patients .The study included (150) subjects; (75) normal subjects (control) and (75) patients with atrial fibrillation. The patients are divided into two groups according to the age : (39) elderly patients [the age range (60 - 80) years] and (36) others patients [the age range (20 - 59) years], also patients are divided in to two groups according to the age with one or more risk factor (Hypertention (HTN), Ischemic Heart Disease(IHD), Heart Hailure (HF)) : elderly which included (18) patients (lone AF) , (21) patients (AF with HTN, IHD, HF) and others which included (17) patients (lone AF), (19) patients (AF with HTN, IHD, HF).The normal subjects (control) also divided into two groups according to the age : elderly [the age range (60 - 80) years] and others [the age range (20 - 59) years] .According to age, the results shown significant increase in the concentration of serum (MDA, Cp, uric acid, TC, TG, VLDL - C, LDL - C ) in elderly and other groups in comparison with their control groups (p≤0.05). It was found significant increase in the concentration of serum MDA in elderly group in comparison with other group, also it was found significant increase in the concentration of serum uric acid in control elderly group in comparison withXIVcontrol other group (p≤0.05). The results also showed non significant differences in the concentration of serum (Cp, uric acid, TC,TG, LDL - C, VLDL - C) between elderly and other groups. It was also found non significant differences in the concentration of serum ( Cp, TC, TG, LDL - C, VLDL - C) between control elderly and control other groups (p≤0.05). While serum Alb , serum Tf and serum HDL - C concentrations show a significant decrease in elderly and other groups in comparison with their control groups (p≤0.05). The results showed significant decrease in the concentration of serum HDL - C in control elderly group in comparison with control other group. Also there were no significant differences in the concentration of serum Alb serum Tf and serum HDL - C between elderly and others groups (p≤0.05).According to the age with one or more risk factor (HTN, IHD, HF) the results show a significant increase in the concentration of serum (MDA, Cp , uric acid, TC, TG, VLDL - C , LDL - C ) in elderly and other groups in comparison with their control groups (p≤0.05). It was found a significant increase in the concentration of serum MDA in the groups AF and AF with HTN, IHD, HF ( in elderly groups) in comparison with groups AF and AF with HTN, IHD, HF (in other groups) respectively (p≤0.05). It was also found a significant increase in the concentration of serum uric acid in control elderly groups in comparison with control other groups , also there were no significant differences in the concentration of serum (CP ,TC , TG ,VLDL - C, LDL - C) between elderly and other groups (p≤0.05). serum Alb ,serum Tf and serum HDL - C show a significant decrease in elderly and other groups in comparison with their control groups, also there was significant decrease in the concentration of serum HDL - C in control elderly groups in comparison with control other groups (p≤0.05). It was also found non significant differences in the concentration of serum Alb and serum Tf between elderly and other groups (p≤0.05).

تحضير وتشخيص بعض المعقدات الفلزية احادية ومختلطة الليكاند المشتقة من سلفاميثاكزول و4,4' - ثنائي مثيل - 2,2' - باي بريدال == Synthesis And Characterization of Some Metal Complexes With Mono And Mixed Ligand Derived From Sulfamethoxazole And 4,4' - Dimethyl - 2,2' - Bipyridyl

Author name: ميسون مزهر عـبد الحسـن
Supervisor name: محاسن فيصل الياس
General topic: Chemistry
Specific topic: Inorganic Chemistry
Degree: Master
Language: English
University location: Baghdad
First pages:
Abstract: تم في هذا البحث تحضير معقدات جديدة للعناصر الثقيلة Rh(III)} وPd(II) Pt(IV)و {Au(III) من تفاعل الليكاند (sulfamethoxazole L1) مع ايونات املاح هذه الفلزات بالطريقة التقليدية وتم تحضير معقدات جديدة اخرى في الحالة الصلبة بواسطة تفاعل مزيج من (sulfamethoxazol | In the present study, new heavy metal complexes of sulfamethoxazole (SMX) as L1 have been prepared with Pd(II), Au(III), Rh(III) and Pt(IV) ions , in a solid state by conventional method. Two mixed ligands were chosen : sulfamethoxazole and 4,4/ - dimethyl - 2,2/ - bipyridyl (L2). This is done to prepare another series of complexes with some metal ions ( Co(II), Ni(II), Cu(II), Cd(II), Cr(III) , V(IV), Pd(II) and Au(III)) in order to investigate the coordination behavior of these ligands(L1) and (L2) toward these metal ions.These complexes, already prepared by the solid state, were characterized by the elemental analysis (C.H.N.S) and FT - IR , UV - Vis spectroscopy, in addition to the flame atomic absorption, magnetic susceptibility , melting point and conductivity measurements. According to the results obtained, it is noticed that ligand L1, with the light and heavy metal ions, clearly behaves as a bidentate through the O atom of sulfonyl group and N atom of sulfonylamid group for all the prepared complexes except Cu(II) and Ni(II). In this case, the ligand confirms that the bonding of the metal ion in a tridentate chelate through the O atom of sulfonyl group and N atom of sulfonylamid group and N atom of amine group.While L2 behaves as a bidentate ligand through two N atom. Conductivity measurements have shown that all the prepared complexes are ionic except PdL1L2 complex. Based on the results of the measurements, the following formula have been suggested for the new prepared complexes : - [VOL1L2]SO4.2H2O and [CuL1L2]2( NO3)4.0.5H2O have square pyramidal geometry while the following complexes are having octahedral geometry : - [CrL1L2 Cl2] Cl.H2O,[NiL1L2NO3]2 ( NO3)2.0.5 H2O,[PdL1L2 Cl2].0.5H2O,[PtL1Cl3H2O]Cl.H2O, [Au L1L2Cl2] Cl.2H2Oand the complexes below have tetrahedral geometry : - [CoL1L2] (NO3)2.3H2O,[CdL1L2](NO3)2.3H20 while [PdL1Cl]2 Cl2.H2O,[AuL1Cl2]Cl.3.5H2O,[RhL1ClH2O]Cl2.0.5H2O have square planar geometry.Different bonding and structural behaviors were revealed throughout the study of coordination chemistry of the newly prepared metal complexes.The nature of bonding between the metal ion and the donor atoms of the ligands were demonstrated by calculating Racah parameter and the other ligand field parameters which were calculated using suitable Tanaba - Sugano diagrams.The nature of the complexes in ethanol solution was studied for some of the prepared complexes such as (RhL1,PdL1,PtL1 and AuL1) in the solution state to determine the ratio between ligand to metal state by using the molar ratio method which gave results which approximately identical results when compared to those obtained from the isolated solid state. Besides the stability constant of the prepared complexes were studied and it was found that they were stable in molar ratio 1 : 1.

دراسة دورالانترلوكين - 36 كاما والبارااوكزونيز وحامض السياليك ومتغيرات اخرى في مصل المريضات بهجرة بطانة الرحم في بغداد == Study The Role of Interleukin - 36? , Paraoxonase , Sialic Acid And Other Parameters In Sera of Endometriotic Patients In Baghdad

Author name: رشا زهير جاسم
Supervisor name: زهير ابراهيم المشهداني | بشرى حميد علي
General topic: Chemistry
Specific topic: Biochemistry
Degree: Master
University: University of Baghdad
Language: English
University location: Baghdad
First pages:
Abstract: Endometriosis , a chronic inflammatory autoimmune disease, is among one of the most challenging of the 21st century that affects women in reproductive age. Seventy five consecutive married women endometriotic patients with age range (25 - 40) year were enrolled in this study , divided into three groups , the first included twenty five newly diagnosed endometriotic patients ( without any treatment) , the second consisted of twenty five endometriotic patients who were treated with zoladex for 3 to 5 months , the third involved twenty five patients with recurrent endometriosis (post treatment of zoladex) for one to two years ago. Patients groups were compared with two matched age and sex control groups , control group included twenty five healthy women while pathological control group involved twenty five women suffering from infertility caused by gynecological disorders not linked with endometriosis. The present study highlights the role of some morphological characteristics (BMI and W/H) , immunological / inflammatory aspect (Interleukin - 36 ? , Angiopoietein - 2 , Tumor Necrosis Factor - ? , Immunoglobulin G , Immunoglobulin A , Immunoglobulin M , Sialic acid ) , oxidative aspect (Total Cholesterol , Triacylglycerol , High Density Lipoprotein cholesterol , Low Density Lipoprotein cholesterol , Very Low Density Lipoprotein cholesterol , Paraoxonase - 1 , Ceruloplasmin ) and hormonal aspect (estrogen) in the pathogenesis of endometriosis. …………… Results have revealed that endometriotic patients have approximately a normal BMI and lower than pathological control group, but it was increased in patients under treatment with zoladex. A greater W/H ratio was associated with both endometriosis and pathological control group , while W/H was approximately not affected after treatment with zoladex. The present study have reported for the first time a positive relationship between IL - 36? , Sia and endometriosis. Those parameters could be considered novel biochemical markers in endometriosis because their levels were higher in sera of endometriotic patients without treatment compared with control and pathological control groups. Moreover , Ang - 2 appears to be a good biochemical marker in endometriotic patients. Hence, Ang - 2 levels were higher in sera of endometriotic patients compared with control and pathological control groups In contrast high levels of TNF - ? are associated not only with endometriosis but with pathological control group also. IgA and IgM could be used as possible biochemical markers for endometriosis. The present study is the first dealing with zoladex action on depressing IL - 36? , Ang - 2 , Sia while TNF - ?, IgG , IgA, IgM were decreased under treatment with zoladex. The present study have also suggested that TC and LDL - could be used in diagnosis of endometriosis , HDL - c levels were lower in patients without treatment compared with control and pathological control, but elevation obsereved under treatment with zoladex. PON - 1 activity was low in sera of patients while it was increased after treatment. Furthermore , this is the second study that proves a positive relation between CP and endometriosis and the first dealing with zoladex role on decreasing CP level in endometriosis. Lastly , estrogen was higher in endometriosis compared with control and pathological control groups , while it was decreased by zoladex action

تحضير ودراسات طيفيه لمعقدات ليكاندات الاميدوبنزوثايزول الممزوجه باستخدام الطريقه المايكرويفية == Synthesis And Spectral Studies of Amide Benzothiazole Mixed Ligands Complexes Using Microwave Method

Author name: فرح سعدون جعفر
Supervisor name: محاسن فيصل الياس
General topic: Chemistry
Specific topic: Inorganic Chemistry
Degree: Master
Language: English
University location: Baghdad
First pages:
Abstract: في هذا البحث تم استخدام احدى تطبيقات الكيمياء الخضراء حيث حضرت المعقدات بالطريقة المايكرويفيه حيث تتيح هذه الطريقه ظروف افضل للعمل من حيث تقليل التلوث ,استخدام كمية مذيب اقل, اقل تكلفة, نسبة منتوج عاليه , تفاعل بزمن اقصر وكطريقة عمل ابسط.تم استخدام ليكا | One of green chemistry applications has been used in this work ,where the complexes were prepared by microwave irradiated reactions that availed reduced pollution, free or less solvent conditions, low cost, high yields, shorter reaction times and simplicity in processing. Two of benzothiazole derivatives ligands 2 - benzamid benzothiazole (L1) and 2 - acetamid benzothiazole (L2) were used to synthesize two types of transition metal complexes ; Rh(III), Pd(II), Cd(II), Pt(IV) and Au(III) , the other set of complexes was prepared in presence of a co - ligand 1,10 - phenanthroline(L') or 4,4? - dimethyl - 2,2? - bipyridyl (L") with the metal ions V(IV), Cr(III), Co(II), Ni(II), Cu(II), Zn(II) and Au(III) using microwave and conventional methods to compare the results between them. These ligands and their metal complexes were isolated and characterized in solid state using FT - IR, UV - Vis spectroscopy, flame atomic absorption, elemental analysis C.H.N.S. and magnetic susceptibility measurements as well as melting point and conductivity measurements. According to the results of the above measurements, the following shapes were suggested for the prepared complexes : Complexes of ligand (L1) : Complexes of Rh(III), Pd(II) and Au(III) have a square planar geometry, while Cd(II) complex has a Td geometry and Pt(IV) complex has an Oh geometry.Complexes of mixed ligands (L2 with L'/ L") : All complexes have an Oh geometry except V(IV) complex has a square pyramid and Co(II) complex has a Td geometry. The nature of bonding between the metal ion and the donor atoms of the ligands was demonstrated through the calculation of Racah parameter and other ligand field parameters, which were calculated using suitable Tanabe - Sugano diagrams.The nature of some (L1) complexes in liquid state was studied by following the molar ratio method which gave results approximately identical compared with those obtained from the isolated in the solid state; also, stability constants of the prepared complexes were studied , they were stable in the molar ratio 1 : 1. A theoretical treatment of the ligands and the prepared complexes in gas phase was done using two programs; Hyperchem - 8 and Gaussian program (GaussView Currently Available Versions (5.0.9) along with Gaussian 09 which is the latest in the Gaussian series of programs).Hyper chem. - 8 program used the molecular mechanics and semi - empirical calculation, the heat of formation (?H?f), binding energy (?Eb) dipole moment (µ) for the free ligands and their metal complexes were calculated using ZINDO/1, PM3 and AMBER methods at 298 K. It was found that the complexes were more stable than their ligands; furthermore, the electrostatic potential of free ligands was calculated to investigate the reactive site of the molecules, PM3 was used to evaluate the vibrational spectra of free ligands ,the obtained frequencies agreed well with those values experimentally found; in addition, the calculation helped to assign unambiguously the most diagnostic bands. Electronic spectra measurements for the ligands were calculated theoretically using ZINDO/S method comparing it with the experimental results. It was found that there was a closely relationship between the theory and experimental spectra.Gaussian program semi - empirical (PM3) method which used in order to calculate : the geometry optimization, dipole moment (?),total energy ,electrostatic potential, ELUMO and EHOMO was obtained, evaluate the vibrational spectra of free ligands and these obtained frequencies agreed well with those values experimentally found.Also electronic spectra measurements for the ligands were calculated theoretically by using the job type : Single point energy (SP) along with ZINDO method and also the job type frequency (Freq) used along with CIS method (3 - 21G).

تخليق قواعد شف جديدة مشتقة من انهدريد البايرومليتك == Synthesis ,Antibacterial of Some Novel Schiff Bases Derived From Pyromellitic Dianhydride

Author name: عذراء محمد سلوم
Supervisor name: امينة عبد الرحمن فياض | عماد تقي علي
General topic: Chemistry
Specific topic: Chemistry
Degree: Master
University: University of Baghdad
Language: English
University location: Baghdad
First pages:
Abstract: تم تخليق قواعد جديده مشتقة من انهدريد ثنائي البايرومليتك بعدة خطوات. حيث حضرت مشتقات حامض البايرومليتك المتناظره a­c[ I ] من تفاعل انهدريد ثنائي البايرومليتك مع بعض الامينا ت الاورماتية الحاويه على (مجاميع ساحبه واخرى دافعة ) في الاسيتون كمذيب. واشتملت | The novel Schiff bases derived from pyromellitic dianhydride were synthesized by several steps reaction. A symmetrical diamic acide [I ]a - c was synthesized by the reaction of pyromellitic dianhydride with some aromatic amines (containing electron withdrawing , repulling groups ) in dry acetone.In the second step the diacids were converted to their corresponding diimide [II ]a - c using acetic anhydride and sodium acetate system as a dehydrating agent, via the intramolecular cyclization steps of amic acids.The third step was to synthesis the hydrazone derivatives from the reaction of diimides , with 80 % hydrazine hydrate at (50 - 60)C?.These hydrazone derivatives were allowed to react with several aromatic aldehydes to form new Schiff bases via step four at a temperature near by (80 - 85)C?. As shown in the following scheme (3.1). All the novel compounds and their structures have been ascertained by their melting points , mixed melting points , C.H. N analysis , FTIR , UV - Viss. and 1HNMR spectroscopy for some of them. Also the biological activity of some of them was studied which showed that these compounds have different activities towards the studied bacteria.

التقدير الطيفي للاكسده الضوئيه المحفزه للباراسيتامول والبروكائين == Spectrophotometric Determination of Photocatalytic Oxidation of Paracetamol And Procaine

Author name: الاء جواد عبد الزهرة الخاقاني
Supervisor name: مثنى صالح مشكور | عامر موسى جودة
General topic: Chemistry
Specific topic: Biochemistry
Degree: Master
Language: English
University location: Najaf
First pages:
Abstract: تم في هذا البحث دراسة بعض اسباب ومتغيرات الاجهاض عند النساء عن طريق قياس هرمونات الغدة الدرقية(Thyroid gland) (T3,T4,TSH)، وهرموني البروجستيرون (Progesterone) والبرولاكتين(Prolactin)، وكذلك قياس مستويات السكر في الدم (Blood Sugar) ومستوى الدهون كـ( الكول | This study concluded the causes of abortion ( via estimation the thyroid gland hormones( T3, T4 ,TSH ) and both the progesterone and Prolactin as well as the estimation of the levels of blood sugar , cholesterol , triglyceride , high density lipoprotein( HDL) , low density lipoprotein( LDL) , and very low density lipoprotein( VLDL).The concentrations of the immunological test (TORCH) has been estimated which include : Toxoplasma ,Rubella , Cytomegalo , Herpes simplex virus II and the mean of haemolytic disease of newborn for women of negative Rh. Samples of 101 patients have been collected from General Kirkuk hospital who have suffered from multi abortion (Three times or more) with their ages ranged between 16 - 45 years. Forty blood samples of normal pregnants together with other forty samples of non - pregnant women were used for comparason.The following results are obtained from this study : 1 - Elevation of blood sugar level in aborted women compared to those of normal pregnant 2 - Significant decrease in thyroid hormone (T3 & T4) in aborted women compared to those of normal pregnant women. 3 - Significant increase in the concentration of TSH of aborted women compared with non - pregnant women. 4 - Significant decrease in Prolactin level in repeated abortion compared with those of normal pregnants. 5 - Significant decrease in progesterone level in aborted women compared to those with normal pregnant and non - pregnant women. 6 - Significant increase in cholesterol level in the groups of women who suffered from repeated abortion compared to groups of women of normal pregnant. 7 - Significant increase in the levels of triglyceride of aborted women compared to the groups of normal pregnant women.8 - Significant increase in LDL level in aborted women compared to those of normal pregnant.9 - Significant increase in VLDL level in repeated aborted women t compared to normal pregnant women.10 - Significant increase in the levels of HDL in aborted women compared to those with normal pregnant.11 - The investigation of IgM in Toxoplasma ,results reflects five positively infected cases out of 101 cases of aborted women and 28 positively cases of IgG out of 101of aborted women.12 - The investigation of Cytomegalovirus reflects 8 positively infected cases out of 101 in aborted women and 98 positive cases out of 101 aborted women.13 - The investigation of IgM of Rubella reflects 2 positively infected cases out of 101 aborted women and 92 positive cases in IgG class out of 101 aborted women.14 - The investigation of anti virus of Herpes simplex virus II IgG reflects 6 positively infected cases out of 101 of aborted women.15 - The investigation of negative Rh. appeared that there were no positive cases in the group of (5) negative Rh. women out of 101 of abortive women.

دراسة تاثير الفسفاتين وبعض المتغيرات الحياتية على مرضى سوفان المفاصل المصابين وغير المصابين بداء السكري من النوع الثاني == A Study of Visfatin And Some Biochemical Variables In Osteoarthritis With And Without Diabetes Mellitus Type2

Author name: لمياء شاكر عاشور
Supervisor name: طارق محمد علي رجب الحكيم | حامد غفوري حسن
General topic: Chemistry
Specific topic: Chemistry
Degree: Master
University: University of Baghdad
Language: English
University location: Baghdad
First pages:
Abstract: يتضمن هذا الفصل مقدمة عن المركبات الدوائية الاتية وطرائق تقديرها وهي : • الترايفلوبيرازين هيدروكلوريد Trifluoperazine Hydrochloride • طرائق تقدير للترايفلوبيرازين هيدروكلوريد Methods for the determination of Trifluoperazine hydrochloride • الكلوربروم | This thesis consists of four chapters : Chapter one : contains introduction about drug compounds listed below - Trifluoperazine hydrochloride. - Methods for the determination of Trifluoperazine hydrochloride. - Chlorpromazine hydrochloride. - Methods for the determination of Chlorpromazine. - Aim of the research.Chapter two The Chapter includes the development of a new sensitive spectrophotometric method for the determination of a Trifluoperazine hydrochloride in aqueous solution. The method is based on the oxidative coupling reaction of Trifluoperazine hydrochloride with Sulphanilic acid reagent in a acidic medium pH 1.4 in the presence of Potassium Iodate to produce an intense violet coloured, water soluble and stable product , which exhibits maximum absorption at 544 nm. Beer’s law is obeyed over the arange 12 to 66 µg.ml - 1 of Trifluoperazine hydrochloride, with a molar absorptivity of 4804 L.mo1 - 1.cm - 1 , Sandell’s sensitivity index of 0.01 µg.cm - 2 , relative error range not more than 1.26% , and D.L 0.495 µg.ml - 1. The method has been successfully applied for the determination of Trifluoperazine hydrochloride in tablets.Chapter threeThe Chapter includes the development of a sensitive spectrophotometric method for the determination of Trifluoperazine hydrochloride in aqueous solution based on reduction of Fe3+ with Trifluoperazine hydrochloride. The Fe2+ formed is complexed with 2,2’ - bipyridyl at pH 4.2 to produce a red , water soluble and stable complex, which exhibits maximum absorption at 524 nm. Beer’s law obeyed in the concentration range from 2 to 50 µg.ml - 1 of Trifluoperazine hydrochloride. The molar absorptivity is 5284.4 L.mol - 1.cm - 1 and Sandell’s sensitivity index of 0.090 µg. cm - 2 , relative error from 1.64 % , and D.L 0.788 µg.ml - 1. The method has been successfully applied to the determination of Trifluoperazine hydrochloride in tablets.Chapter FourThe Chapter includes the development of a new sensitive spectrophotometric method for the determination of a Chlorpromazine hydrochloride in aqueous solution. The method is based on the oxidative coupling reaction of Chlorpromazine hydrochloride with Sulphanilamide reagent in a acidic medium pH 3.2 in the presence of Ammonium ceric Sulphate dihydrate to produce an intense violet coloured, water soluble and stable dye, which exhibits maximum absorption at 530 nm. Beer’s law is obeyed over the arange 6 to 66 µg.ml - 1 of Chlorpromazine hydrochloride, with a molar absorptivity of 2842.28 L.mo1 - 1.cm - 1 , Sandell’s sensitivity index of 0.1250 µg.cm - 2 , relative error range not more than 2.49 % , and D.L 1.2028 µg.ml - 1. The method has been successfully applied for the determination of Chlorpromazine hydrochloride in tablets.

تحضير وتشخيص مشتقات جديدة للاندنول تحمل حلقات غير متجانسة متنوعة == Synthesis And Characterization of New Indole Derivatives Bearing Various Hetero Rings

Author name: كاظم ماذي لازم العلياوي
Supervisor name: جمبد هرمز توما | خالد فهد علي
General topic: Chemistry
Specific topic: Organic Chemistry
Degree: Doctorate
Language: English
University location: Qadisiyah
First pages:
Abstract: تتضمن هذه الاطروحة تحضير وتشخيص بعض مشتقات السكارين العضوية ومعقدات السكارين ومشتقاته الفوسفينية مع بعض الفلزات، حيث استخدم سكارينات الصوديوم والسكارين كمواد اولية للتحضير وكما ياتي : 1 - حضر N - كلور اسيتل سكارين (A2) من تفاعل السكارين مع كلور استيل كلور | This thesis include synthesis and characterization of some organic saccharin derivatives and metal complexes of saccharin and its phosphine derivatives are synthesized in this work according to the following : 1. The N - Chloro acetyl saccharin (A2) is prepared from the reaction of saccharin with chloro acetyl chloride, in presence of Et3N in 1,4 Dioxan. The N - (2 - aryl amino) acetyl saccharine (A3 - A9) is synthesized from the reaction of compound (A2) with the substituted amin.The N - (2 - Saccharin - 2yl) acetyl saccharine A(10) is prepared from reaction of two mole saccharin with mole chloro acetyl chloride in presence of Et3N in 1,4Dioxin.2. Mannich Bases (A11 - A26) are prepared from the reaction of saccharin with substituted primary amin and fromaldehyde in methanol.3. N - Hydroxy methyl saccharin (A27) is prepared from the reaction of saccharin with formaldehyde in H2O or EtOH. The N - methylacetat saccharin (A28) is prepared from the reaction of compound (A27) with acetic anhydride in the presence of NaOH.4. (3 - Benzosulfonamide2 - Carboxylicacid2 - yl)2 - imino thiazolidin - 4 - (one) (A29) is prepared from the reaction of compound (A2) with KSCN in acetone.5. N - Benzoyl Saccharin (A30) is prepared from the reaction of saccharin with Benzoyl Chloride in acetone in the presence of NaHCO3.6. N - acetyl Saccharin(A31) is prepared from the reaction saccharin with acetyl chloride in DMF in the presence of Et3N also N - acetyl saccharin (A49) is prepared from the reaction of sodium saccharin with acetyl chloride in DMF. The N - acetyl saccharine is used in the preparation of ? - ? - Unsaturated carbonyl compounds(A50 - A54) through its reaction with substituted benzaldehyde , and also N - acetyl saccharin is used in the preparation of Schiff bass A(55 - 58) through its reaction with substituted amine.7. N - acetonyl saccharin (A32) is prepared from the reaction of sodium saccharin with chloro aceton in DMF. The N - acetonyl saccharin is used in the preparation of Schiff base A(33 - 38) through its reaction with substituted of amine and also N - Acetonyl saccharin is used in the.preparation.of? - ? - Unsaturated.carbonyl.compound(A39 - A45) through its reaction with substituted benzaldehyde.8. N - saccharinato acetic acid (A46) is prepared from the reaction of sodium saccharin with chloro acetic acid in DMF. The N - saccharinato acetic acid used in the preparation of 5 - (N - Saccharin) methyl )2 - amino - 1,2,3 thiadiazol (A47) through its reaction with thio semicarbazide in toluene and also N - Acetic acid saccharin is used preparation of N - ((1H - benzo[d]imidozol - 2yl)methyl) Saccharin (A48) through its reaction with O - Phenyl diamine.9. N - 3 - bromopropyl saccharin (A59) is prepared from the reaction of sodium saccharin with 1,3 dibromopropan in DMF.10. 2 - ChloroN - (4 - (2 - methaoxazol - 5yl)sulfamoyl)phenyl)acetamide (A60)is prepared from the reaction of4 - aminosulphamethaoxazol with chloroacetyl chlorid in 1,4dioxan in the presence of Et3N.2 - saccharin - N(4 - (2 - methyloxazol - 5yl)sulfamoyl)phenyl acetamide(A61)is.prepared from the reaction of sodium saccharin with (A6o)in DMF11. N - ethyl acetate saccharin A(62) is prepared from the reaction of sodium saccharin with chloro ethyl acetate in DMF. The N - acetic acid saccharin (A63) is prepared from the acidic hydrolysis of N - ethylsaccharin acetate by HCl , CH3COOH.The N - (acetyl thiosemicarbazide)saccharine(A64) is prepared from in the reaction of thiosemicarbazide with (A62)in acetone.The 5 - ((N - Saccharin )methyl) - 1,3,4 - thiadiaezol A(65) is synthesized in ring closur reaction by compound (A64) by sulfuric acid.12. N - Diphenyl phosphin saccharin (66) is prepared from the reaction of sodium saccharin with chloro diphenyl phosphine in dry ether. The N - diphenyl phosphin saccharin is used in the preparation of the complexe of the type [M CL2L2] , M=Pt(II) , Pd(II), Ni(II), L = Diphenyl phosphin saccharin [A70 - 72] through its reaction with Na2PdCl4 , PtCl2(DMSO)2,NiCl2 - 6H2O in CH2Cl2 or aceton in which N - Phenyl phosphin saccharin Ligands berhaves as amono dentat and coordinat through (P) atom to Metal.13. Aqua saccharin complexes of the type [M(Sac)2(H2O)4] 2H2O , (M=Ni,Co,Fe,Zn,Mn,Cd,Cu)(A73 - 79) are prepared from reaction sodium saccharin with divalent metal ions from (Ni,Co,Fe,Zn,Mn,Cd,Cu) in which saccharin Ligands behave amono dentate and coordinate through (N) atom to metal.Treament of (dppe , dppm) with aqua saccharinat complexes(A80 - A88) in CH2Cl2 gave complexes of this type.The treatment of dppe with aqua saccharinat complexes of the (Cd,Zn,Fe,Mn)(A79,A78 ,A76,A75)give complexes (A80 - A83)of this type [M(Sac)2(dppe)2], the dppe in these complexes coordinate as abidentate. but treatment of dppe with aqua saccharinat of the (Ni,Co)(A73,A74) gave complexes (A84,A85)of this type [M(Sac)2(dppe)], but treatment of dppe with aqua saccharinat complexes of the (Cu)(A77) , gave complexes(A86) of this type [Cu(Sac)dppe]. The treatment of dppm with aqua saccharinato complexes of the (Cd,Zn)(A78,A79) gave complexes (A87,A88) of this type [M(Sac)2(dppm)2].The structure of the synthesized compound are confirmed by I.R , H1 - N.M.R,C13 - N.M.R,Elemental analysis , molar conductivity and some chemical physical data.

دراسة مركبات الاوزميوم العنقودية باستخدام كيمياء الكم == Quantum Chemical Studies of Osmium Clusters

Author name: احلام حسين حسن
Supervisor name: محسن عبود محسن العبادي
General topic: Chemistry
Specific topic: Organic Chemistry
Degree: Master
Language: English
University location: Najaf
First pages:
Abstract: تضمنت هذه الدراسة تحضير عدد من المشتقات الجديدة للدايهيدروبريميدينون والكوينزولينون وذلك من خلال عدة مسارات. المسار الاول تم تحضيرالمركبان (86,85) بعملية البنزلةbenzylation) ) والسلفنةsulfonation) ) لمشتق الالديهايد(4 - هيدروكسي بنزلديهايد) لانتاج الديه | The studies involves synthesis some new derivatives for the ( 3 , 4 dihydropyrimidin - 2(1H) - ones) by many schemes. The first Scheme involve synthesis compounds (85,86) by Benzylation and Sulfonation for aldahyde derived (4 - Hydroxybanzaldahyde) to give aldahydes larger and treatment in Biginelli reaction. The second Scheme includes preparation of derivatives(87 - 99) by Biginelli reaction for treatment different derivatives aldahydes with Ethylacetoacetate or Acetylacetone and Urea Catalyzed by Hydrochloric acid to give ( 3 , 4 dihydropyrimidin - 2(1H) - ones) The third Scheme includes preparation of Quinazolinone compounds (100 - 105) via reaction Cyclohxanone , Aldahyde derivativesand Urea Catalyzed by tributylborate in methanol as solvent. The last Scheme is treatment compound(90) is contan ketone group and a product via Biginelli reaction with primary amines such as p - toluidine and phenylhydrazine to give new Schiff base , also treatment compound(90) with diffrents aldehyde to give of pyrimidine compounds it is contan of Chalcones. As well as the thesis which us discussed the preparation and identification of newdihydro pyrimidine derivatives from throough spectra (I.R) , (1H - NMR) , (C13 - NMR) , (C.H.N) , specta (HSQC) , (COSY) and (HMBC). For some of these compounds, and these identification studies approved the correctness of the chemical structures for the prepared derivatives The study of biological activity of some of the synthesized compounds which were applied on bacteria of negative and positive gram formula showed that some of the studied compounds possess medium retardation activity against these bacteria.

تحضير دقائق مغناطيسيه متناهيه الصغر (نانو) ودراسة تقييدها لانزيم الزانثين اوكسيديز == Prepared of Magnetic Nanoparticles And Study The Immobilized For Xanthine Oxidase

Author name: مصطفى محمد كريم
Supervisor name: حسين كاظم الحكيم
General topic: Chemistry
Specific topic: Chemistry
Degree: Master
Language: English
University location: Najaf
First pages:
Abstract: The purpose of this thesis is to report quantum chemical investigations into a series of problems related to contemporary organometallic chemistry. In recent years density functional approaches have become the most commonly used theoretical methodology in organometallic chemistry. Alongside these developments, a number of new tools for analyzing electronic structure such as topological analysis of electron density (Atoms in Molecules theory) have emerged. As a result, theory is now in a position to compute ab initio many of the experimental observables that underpin modern organometallic chemistry.The bonding in the Triosmium carbonyl cluster 1 [Os3(? - H)(? - ?2 - dpa - N,N)(CO)10] and Triosmium carbonyl cluster 2 [Os3( ? - H)2(NHC)(CO)9] are explored using the Quantum Theory of Atoms - in - Molecules (QTAIM). The metal - metal and metal - ligand bond critical points properties ?(r), ?2?(r), H(r), G(r), V(r) and ellipticity, and also the bond delocalization indices ?(A, B), are correlated with the data from previous studies of the organometallic systems. These results have allowed a comparison between topological properties of different atom - atom interactions. In the core of dihydride triosmium cluster 2, Os3H2 part, the topological data recognizes the existence of a bond path in the dihydride bridged Os atoms, Os(1) - Os(3) edges, whereas in monohydride triosmium cluster 1 there is no direct bond path has been found for the interaction between the hydride bridged Os atoms, although a non - negligible delocalization index ?(Os(1)...Os(2)) has been obtained for this non - bonding interaction. A multicenter 4c - 4e interaction is proposed to exist in the core part, Os3H, in cluster 1 and bridged part, Os(1) - H(1) - Os(3) - (H2) in cluster 2. In addition, an interaction of 5c - 5e type is proposed to exist in the core part, Os3H2. All topological parameters calculated for the Os - N and Os - C bonds between the osmium atoms and the pyridyl and NHC ligands in compound 1 and 2, respectively, are similar, and they confirm that these interactions are pure ? bond. The analysis of the topological parameters of the NHC and pyridyl ligands bonds confirm the existence of ? - electron delocalization within the six - membered ring of pyridyl ligand and hindered ? - electron delocalization within the five - membered ring of NHC ligand with some double - bond character in the interaction of the carbine C atom with the adjacent N atoms.

دراسة حركية لتاثير بعض المركبات المخفضة للدهون الثيازينات والثياديازول على الكرياتين كاينيز و3 - هيدروكسي - 3 - مثيل كلوتاريل كو انزيم - اي ريدكتيز في امصال مرضى ارتفاع الدهون والفئران المختبرية التي تم حث ارتفاع الدهون فيها == Kinetic Study of The Effect of Some Novel Lipid Lowering Thiazines And Thiadiazole Compounds On Creatine Kinase And 3 - Hydroxy - 3 - Methyl - Glutaryl - Coa Reductase Activities In Sera of Hyperlipidemia Patient’s And Wister Mice With Induced Hyperlipide

Author name: تمارة احمد عبد الكريم العبيدي
Supervisor name: زينب منيب مالك الربيعي | غيد حسان عبد الهادي العبيدي
General topic: Chemistry
Specific topic: Chemistry
Degree: Master
Language: English
University location: Baghdad
First pages:
Abstract: تمثل الستيرويدات فئة هامة من العقاقير الطبيعية وكذلك الصناعية نظرا لقدرتها على اختراق الخلايا واداء بعض الوظائف البيولوجية الاساسية وبشكل رئيسي هي عوامل مضادة للفيروسات ومضادات للاورام. وتقسم الرسالة الحالية على ثلاثة فصول.يمثل الفصل الاول مقدمة عامة حو | Steroids represent an important class of natural as well as synthetic drugs because of their ability to penetrate cells and perform some of the most fundamental biological functions mainly as antitumor and antiviral agents. The present thesis is devided into three chapters.The first chapter represented a general introduction concerning the structures of some potent steroids, and the pathways of the synthetic adrenal steroids as well as their pharmacological importance in medicine, in general. This part is focused mainly also on the pregnenolone as an important potentially active steroid, including its structural modification at the hydroxyl and keto groups at C - 3 and C - 20 and their uses as antitumor agents. Mitsunobu, Suzuki reactions and aldol condensation as well as chalcon formation and their application at steroids have been described. The second chapter is concerned with the experimental work which included different synthetic methodology.The third chapter is the main part of the thesis, described the synthesis of new 3? - pregnenolone ester derivatives at C - 3 via Misunobu reaction of the carboxylic acid derivatives, such as : rhodamin B, indomethacin, naproxen, protocatecuic acid, vanillic acid and p - coumaric acid, which showed inversion in configuration at the ester group at C - 3. In addition, the synthesis of 17 - (4 - chloro - chalconyl)pregnen - 3? - ol has been described, which then treated with various substituted phenylboronic acids such as : 2,4 - difluoro - , 5 - carboxy - 3 - nitrop - ,4 - fluoro, 4 - thiomethyl - , 4 - hydroxy - , 2,4, - dimethoxy - , 4 - trimethylsilyl, 2 - triflouromethyl - , 3 - cyano, 4 - ethoxyphenyl boronic acids under Suzuki cross - coupling reaction conditions using Pd(PPh3)4 as a catalyst and Na2CO3 as a base to give the (E) - 3 - (substituted - [1,1’ - biphenyl] - 4 - yl) - 1 - (3? - hydroxy - pregnen - 17 - yl) - prop - 2 - en - 1 - one. Two compounds, 17 - acetyl - 5 - pregnen - 3? - yl) - 2 - (2,6 - bis(diethylamino) - 9H - xanthen - 9 - yl)benzoate, and 17 - ((E) - 3 - (4 - chlorophenyl)acryloyl) - 5 - pregnen - 3? - yl) - 2 - (2,6 - bis(diethylamino) - 9H - xanthen - 9 - yl)benzoate have been synthesized via coupling reaction using DCC as a coupling reagent to afford these ester with retention in configuration, aiming to study their fluorescence properties. Moreover, tritylation of the pregnenolone has been described to protect the alcohol at C - 3 during the structural modification of keto group at C - 20 under basic medium. The structures of all the synthesized compounds have been assigned from their 1H, 13C, and 2D NMR (HSQC, HMBC, COSY, NOESY) spectroscopy as well the as theoretical calculations of the HOMO and LUMO energies of the trans and cis isomers of the chalconyl pregnenolone aryl derivatives to compare them with the NMR data, which showed that trans isomer is energetically more favoured.Furthermore, the flourescence proroperties of the two rhodainyl pregnenolone esters have been studies which one show remarkable quantum yield (?F) in comparison to Rhodamin B itself.The anti - HIV activity of some arylated chalconyl pregnenolone derivatives have been studies and one of these analogues having diflouro substituents exhibited remarkable activity against HIV - 1 and 2. Therefore, the molecular modeling study of this analogue is performed and showed two hydrophobic interactions and one hydrogen bonding with the amino acids residues of the reverse transcriptase enzyme of HIV.

تحسين حماية التاكل للمعادن (الخارصين، النحاس، الالمنيوم، الحديد الكربوني والحديد المقاوم للصدا 316) في ماء البحر الصناعي باستخدام الطلاء بالمواد النانوية == Corrosion Protection Enhancement Of; Zn, Cu, Al, Carbon Steel And Stainless Steel 316 In Artificial Seawater By Coating With Nanomaterials

Author name: رائد عبد شاكر محمود
Supervisor name: عبد الكريم محمد علي جبر السامرائي
General topic: Chemistry
Specific topic: Chemistry
Degree: Master
Language: English
University location: Baghdad
First pages:
Abstract: الهدف من هده الدراسة هو تقدير تاثير بعض مشتقات الثياديازول والثيازين الجديدة التحضير على فعالية كل من الانزيمين الكرياتين كاينيز و3 - هيدروكسي - 3 - مثيل كلوتاريل كو - انزيم اي ريدكتيز بالاضافة الى قياس صورة الدهون في مرضى ارتفاع الدهون والفئران المختبرية | The aim of this study is to evaluate the effect of some novel prepared derivatives of thiadiazole and thiazine on the activities of creatine kinase (CK) and 3 - hydroxy - 3 - methylglutaryl CoA reductase(HMGR) in addition to lipid profile in sera of hyperlipidemic patients and in mice induced hyperlipidemia by feeding cholesterol rich diet.The study includes two parts; in vitro study : Sixty individuals with age ranged between (40 - 60) years were enrolled in this study. They were divided into two groups; first group (G1) consists of 30 healthy individuals as a control group with body mass index (BMI) (25.67). The second group (G2)consists of 30 patients with hyperlipidemia and BMI (26.48) which diagnosed by physician. The patients attended the Ibn - Al Naphes hospital during November 2013 to February 2014. Patients with high blood viscosity, diabetes mellitus, renal failure as well as those who are under treatment with statins were excluded. The serum which obtained used in the determination of lipid profile[total cholesterol(Tch),triglyceride(TG), high density lipoprotein(HDL - c), very low density lipoprotein(VLDL - c)], fasting blood glucose(FBG), aspartate transaminase (AST), alanine transaminase(ALT) and C - reactive protein(CRP).Four organic compounds 3 - (4 - (dimethylamino) phenyl) - 2,3 - dihydro - 2 - (3 - nitrophenyl benzo[1,3 - e]thiazin - 4 - one[I], 5 - (4 - imethylamino)benzylideneamino) - 1,3,4 - thiadiazole - 2 - thiol[II], 2 - (4 - dimethylamino)phenyl) - 2,3 - dihydro - 3 - (5 - mercapto - 1,3,4 - thiadiazol - 2 - yl)benzo[1,3 - e]thiazin - 4 - one[III], and N - (4 - (dimethyl amino)benzylidene) - 5 - (isopropylthio) - 1,3,4 - thiadiazole - 2 - amine[IV] were used in this study to test their antihyperlipidaemic ability and their effect on CK and HMGR activities. The results revealed that compounds(III and IV)showed an activation effect in all concentrations on CK and HMGR activities, while compounds(I and II) showed an inhibitory effect in some concentrations for CK and in all concentrations for HMGR. Therefore, compounds (III and IV) were excluded from this study. The results showed that (10 - 4M) for compound I and (10 - 5M) for compounds II give the best inhibition percentage among the other concentrations on CK and HMGR activities which the kinetic study throughout with these concentrations for these compounds. Simvastatin, which considered as standard drug for lipid lowering, was used for comparsion with the potency of compounds I and II on HMGR activity in treatment of hyperlipidaemia. The results showed an inhibitory effect of simvastatin on HMGR activity with percentage inhibition 88%. The effect of compounds (I and II) on ALT and AST were examined in (10 - 4 M) for compound I and (10 - 5M) for compound II in vitro study. The results showed the inhibitory effect of compounds I in concentration (10 - 4 M) and compound II in concentration (10 - 5M) on ALT and AST activities.The Vmax, Km and type of inhibition for compounds I and II on CK and HMGR activities were studied by using Lineweaver - Burk plot. The results showed that also compound I at 10 - 4M was considered to be a noncompetitive inhibitor for CK activity with Vmax values (1000 and 344.82)U/L for uninhibited and inhibited enzyme respectively and Km value (10) mmol/L. The results also showed that compound II at concentration 10 - 5M was considered to be a competitive inhibitor for CK activity with Vmax value (588.23)U/L and Km values (5.51 and 4)mmol/L for the uninhibited and inhibited enzyme respectively.In vitro, the effect of compound (I) with concentration (10 - 4M) and compound (II) with concentration (10 - 5M) were examined in vivo study. The study was carried out with sixty male Wister mice aged seven to eight weeks and theirweight were (180 - 200 g) ,obtained from animal house , in College of Medicine, Baghdad University. The mice were grouped as follow : group one (12 mice) as control group, group(2) : consists of 48 mice in which the mice were daily administered cholesterol (25mg/k/day), in coconut oil 6% and creamy cheese for 28 days. Lipid profile were measured for twelve mice chosen randomly from G2 to diagnosis hyperlipidemia. Then group2 is subdivided into three groups as follows : group (2.A) : (12 mice) as positive control group in which the mice were daily administered simvastatin (40mg /day) as standard drug for hyperlipidemia, group 2B : (12 mice) in which the mice were daily treated with (10 - 4)M of compound (I)via drinking water for 20 days and Group(2.C) : (12 mice) in which the mice were daily treated with (10 - 5)M of compound II for 20 days. The results showed significant elevation in levels of Tch, TG, LDL - c and VLDL - c, while there is significant reduction in HDL - c levels in G2 comparing to control group(G1), after administration of fat rich diet. Simvastatin, compound I with concentration (10 - 4M) and compound II with concentration (10 - 5M) were administrated to G2A, G2B and G2C respectively. Also, the results showed that the activities of CK reduced for group G2B and G2C while it is increased for G2A. The results also showed that the activities of HMGR were reduced in the three treated groups. The results revealed that compounds I and II exhibit more potent antihyperlipidaemic effect than simvastatin. Also, compound I showed more potent antihyperlipidaemic effect than compound II.The results revealed that compounds I and II showed a noncompetitive inhibitor effect on CK with Vmax values(1000and 166.6) U/L for uninhibited and inhibited enzyme respectively and Km value (0.6) mmol/L for compound I, and with Vmax vales (1000 and 250)U/L for uninhibited and inhibited enzyme respectively and Km value (0.84) mmol/L for compound II.In conclusion, the novel synthetic compounds (I and II) seem to be of interest in the development of new antihyperlipidaemic agents that exhibit inhibition effect on CK while statins cause increase in this enzyme. Also these compounds exhibit inhibition effect on HMGR activity more than simvastatin, which is a key enzyme in cholesterol synthesis.

تحضير مركبات عضوية جديدة ذات صفات بلورية سائلة == Preparing of New Organic Compounds With Liquid Crystalline Properties

Author name: محمود عبد الستار يحيى القزاز
Supervisor name: ابتسام خليفة جاسم
General topic: Chemistry
Specific topic: Physical Chemistry
Degree: Master
Language: English
University location: Baghdad
First pages:
Abstract: يهدف هذا العمل لدراسة امكانية طلاء سطوح بعض المعادن مثل الفولاذ المقاوم للصدا 316، الحديد الكربوني، النحاس، الالمنيوم والزنك، بالمواد النانوية لتحسين مقاومة التاكل وذلك باستخدام اثنين من التقنيات، الاولى بواسطة الطلاء بالالياف النانوية لمادة متعدد الانيلي | This work aims to study the possibility of coating the surfaces of some metals such as stainless steel 316, carbon steel, copper, aluminum, zinc, with nanomaterials to improve the corrosion resistance using two techniques, first by coating with polyaniline nanofiber using electropolymerization of aniline monomer and the second technique by TiO2 nanoparticles via sol - gel process starting from titanium isopropoxide. The work focused on getting thin and homogeneous layer to cover the entire surface of the metal and protect it from corrosion in artificial seawater solution (3.5% NaCl) at 293, 303, 313, and 323 K.Atomic Force Microscope (AFM), Scanning Electron Microscope (SEM), Energy dispersive x - ray (EDX), x - ray photoelectronic spectroscopy (XPS), and x - ray diffraction (XRD) were used to diagnose and describe the structure and morphology of the layers that cover the surface of the metals under investigation, and finally the corrosion parameters ;corrosion potential (Ecorr), corrosion current (Icorr), protection efficiency (PE%), polarization resistance (Rp) and the effect of temperature on the inhibition efficiency in the absence and presence of polyaniline (PANI) or TiO2 coating at temperature ranging from 293 to 323 K were obtained and expressed as; Ea , ?H*, ?S*, and ?G* of all samples were estimated from Tafel plots using potentiostatic technique.The SEM and AFM images of PANI films reflect nanofibers (diameter from 50 to 70 nm); the thicknesses were measured by special AFM scans. They showed values between )700 to 1564 nm(, which may be attributed to the differences in oxidation - reduction potentials of the metals. The XRD patterns of the deposited PANI showed duplicate broad scattering peaks around 2? of 20? and 25?.The AFM images of TiO2 nanoparticles deposited on specimens revealed that the layer was extremely smooth, the particles are small spherical and the average diameter between 26 and 38 nm.The shifts in Ecorr of the uncoated with comparison of the PANI or TiO2 coated samples were small for; S.S316, C.S, Cu, Al, and Zn which means that the anodic and cathodic reactions affected by the same extent.The Rp of the PANI and TiO2 coated substrate was always more than the uncoated ones that attributed to the weak conductivity of PANI and the semiconducting properties of the Titania. All coated metals with PANI or TiO2 exhibited good degree of corrosion protectiveness. For PANI the PE ranged between 56 and 92 % and the best results was achieved for Zn metal this may attributed to the high corrosion values of the bared Zn, while TiO2 coating showed PE at the range of 68 and 93% and the best was for Al metal. The protection efficiencies showed small changes by increasing the temperature but for TiO2 in some cases the PE somehow increased with increasing the temperature. The data showed that the thermodynamic activation functions (Ea and ?H*) of the corrosion of the coated samples are higher than those of the uncoated ones indicating more energy barrier. The entropy of activation ?S* for the uncoated and coated samples are always negative ,this indicates that the activated complex in the rate determining step represents an association rather than a dissociation step, the measured ?G* values takes positive values and showed almost small change with increasing temperature, indicating that the activated complex was not stable and the probability of its formation decreased somehow with rise in temperature and the ?G* values for coated samples reveal that in the activated corrosion complex becomes less stable as compared to the uncoated specimens.Single cyclic potentiostatic tests conducted at 293 K to follow up the pitting probabilities of each metal in seawater before and after coating. The I - V plots indicated that only SS316 and Aluminium specimens suffer from pitting corrosion and the two types of coating reduces the pitting area of the hysterias loop with pushing the pitting potentials for more positive values

تحضير ,تشخيص, دراسة فعالية مضادة للاكسدة ومضادة للسرطان لمعقدات الذهب (III) مع مركبات حلقية غير متجانسة == Synthesis ,Characterization ,Antioxidant And Anti - Cancer Activity Studies of Gold (III) Complexes With Heterocyclic Compounds

Author name: اية جمال عبد الحميد
Supervisor name: فراس عبد الله حسن
General topic: Chemistry
Specific topic: Chemistry
Degree: Doctorate
Language: English
University location: Baghdad
First pages:
Abstract: تضمن موضوع البحث تحضير مركبات حلقيه خماسية وسباعية غير متجانسة متنوعة،من خلال اربعة اجزاء هي : الجزء الاول : - تضمن هذا الجزء تحضير مركبات مشتقات 1, 3, 4 - اوكسادايزول من مركب (ثنائي اثيل مالونيت)، كما موضح بالمخطط (1).الجزء الثاني : - تضمن هذا الجزء تحض | This work involves synthesis of different five, and seven membered heterocyclic rings, and divided into four different parts and the reaction steps for each part are summarized as shown below.First part : This part involved the synthesis of 1,3,4 - Oxadiazoles derived from diethyl malonate.Scheme (1).Second part : This part involved the synthesis of Oxazepine , tetrazoles, and thiazolidinone,from 4,4' - ((((methylenebis(1,3,4 - oxadiazole - 5,2 - diyl))bis(3,1 - phenylene))bis(azanylylidene))bis(methanylylidene))bis(N,N - dimethylaniline).(Scheme 2).Third part : This part involved the synthesis of 1,1' - (1,4 - phenylene)bis(N - substitutedmethanimine) [C1 - 9] from terephthalaldehyde. (Scheme 3). Fourth part : This part involved the synthesis of 1,3,4 - Oxadiazoles derived from terephthalaldehyde and hydrazone carboxamide.In addition, this part deals with the evaluation of antibacterial activities of some of the synthesized compounds. These activities were determined in vitro using disc diffusion method against four pathogenic strains of bacteria (E.coli a, Pseudomonas, Bacillus, and Staphylococcus.), the results revealed that some of these compounds showed measurable activity. (Scheme 4).The liquid crystalline behaviors of the two series have been examined by means of hot - stage polarizing microscopy for the determination of phase transition temperatures and the type of mesophases. The prepared compounds are characterized through determining their melting points, colors physical properties) and (FT - IR, 1H - NMR,) spectroscopy, (C.H.N.S, DSC) analysis and checked by T.L.C.

دراسة البلمرة الكهروكيمياوية وخواص حماية التاكل لطلاء متعدد البايرول على الفولاذ الكاربوني والفولاذ المقاوم للصدا == An Investigation of Electropolymerization And Corrosion Protection Properties of Polypyrrole Coating On Carbon Steel And Stainless Steel

Author name: رواء عباس محمد
Supervisor name: عبد الكريم محمد علي جبر السامرائي
General topic: Chemistry
Specific topic: Chemistry
Degree: Master
Language: English
University location: Baghdad
First pages:
Abstract: تم تحضير سلسلة من مشتقات 1, 2, 4 - ترايزول بواسطة تفاعلات الغلق ,حضر حامض البنزويك هيدرازايد (1) بواسطة تفاعل مثيل بنزويت مع الهيدرازين ثم تفاعل المركب (1) مع CS2 في محلول كحولي قاعدي ليعطي ملح البوتاسيوم (2). حضر المركب (3) بواسطة غلق ملح البوتاسيوم (2)م | A series of 1,2,4 - triazole derivatives were synthesized by cyclization reaction, the benzoic acid hydrazide (1) was synthesized by reaction of methyl benzoate with hydrazine hydrate then compound (1) was reacted with CS2 in solution of alkali ethanol to give potassium dithiocarbazinate salt (2) , the basic nucleus 4 - amino - 5 - phenyl - 1 - 4H - 1,2,4 - triazole - 3 - thiol (3) was prepared by cyclization of potassium salt (2) with hydrazine hydrate using water as solvent under reflux condition. compound (3) was subjected to addition reaction with different aromatic aldehydes to synthesize Schiff bases (4a,b) which were cyclized by treating with thioglycolic acid to prepare compounds (5a,b).compounds (6) and (7) obtained by cyclization reaction of compound (3) with urea and thiourea. Also in this research, 1,3,4 - thiadiazole derivatives were synthesized by cyclization of thiosemicarbazied with substituted carboxylic acid and sulphuric acid, to yield 2 - amino - 5 - R - 1,3,4 - thiadiazole (8). Schiff bases formation (9a,b) were by reflux of aromatic aldehyde with 2 - amino - 5 - R - 1,3,4 - thiadiazole (8) in the presence of absolute ethanol. Compounds (10a,b) were prepared by cyclization reaction of compounds (9a,b) with thioglycolic acid.The Synthesized compound were confirmed by their melting point ,FTIR ,U.V - visible ,1HNMR spectra and evaluated for their antioxidant activity by using stable free radical 1,1 - diphenyl - 2 - picryl - hydrazyl DPPH. of all tested compounds. compound (5b) was the most active in all concentrations compared to standard Ascorbic acid with an IC50 value 5.84 ?g/ml. In this study, the cytotoxic effects for compounds (5a),(5b),(6),(7),(10a),(10b) were studied in one cultured cellular models (MCF7 cell line) breast cancer (at different concentration) compared to doxorubicin as positive control by cell viability assay (MMT assay), compound (5b) showed the highest cytotoxicity effect with an IC50 value =56.98?g/ml.Also, we examine the cytotoxic effects of gold III complex (AuL2) of bi - dentate ligand (5a) in one cultured cellular models (MCF7 cell line) by High Content Screening and analysis (HCS). The inhibitory effect of AuL2 on breast cancer cell growth was due to induction of apoptosis as evidenced by Annexin V staining and cell shrinkage. We found that AuL2 - mediated lead to disruption of mitochondrial membrane potential (MMP), cell membrane permeability, and release of cytochrome c from the mitochondria into the cytosol. suggesting (AuL2 ) as a potential MCF7 inhibitor. Thus, we suggest that (AuL2) may have therapeutic value in breast cancer treatment worthy of further development. Bis(2 - (4 - Dimethylamino - phenyl) - 3 - (3 - mercapto - 5 - phenyl - [1,2,4]triazol - 4 - yl) - thiazolidin - 4 - one)gold(III) chloride. monohydrate

تحضير وتشخيص المركبات الحلقية غير المتجانسة الجديدة والمشتقة من الجالكونات == Synthesis And Characterization of New Heterocyclic Compounds Derived From Chalcones

Author name: نبراس مظفر جميل
Supervisor name: جمبد هرمز توما | ضحى فاروق حسين
General topic: Chemistry
Specific topic: Physical Chemistry
Degree: Master
Language: English
University location: Baghdad
First pages:
Abstract: يتقصى البحث امكانية الحصول على طبقة طلاء رقيقة ومتجانسة لبوليمر البايرول على بعض السبائك مثل الفولاذ المقاوم للصدا 316 والفولاذ الكربوني بواسطة البلمرة الكهروكيميائية لمونمر البايرول ودراسة امكانية تحسين مقاومة التاكل في مختلف الاوساط البيئية مثل المياه ا | This research focuses on getting thin and homogeneous polypyrrole (PPy) layer on carbon steel (45) and stainless steel (316) alloys by electropolymeriztion procedure of pyrrole monomer, and study the possibility of improving the corrosion resistance in different medias; saline water (3.5% NaCl), acidic media (1M H2SO4) and basic media (1M NaOH) at different temperature of 293, 303, 313 and 323 K. The deposited PPy layer on samples under investigation were examined by Atomic Force Microscope (AFM), Scanning Electron Microscope (SEM), Visible and Ultraviolet Spectroscopy (UV - Vis), Fourier Transform Infrared Spectroscopy (FT - IR), Thermogravimetric Analysis (TGA) and X - Ray Diffraction (XRD).The corrosion parameters are including corrosion potential (Ecorr), corrosion current (icorr), protection efficiency (%PE), polarization resistance (Rp) and the effect of temperature on the inhibition efficiency in the absence and in the presence of PPy coating at temperature ranging from 293 to 323K were obtained and expressed as; Ea, ?H*, ?S*, and ?G* of all samples were estimated from Tafel plots using potentiostatic technique.The SEM and AFM images of PPy films revealed a nanofiber like structure; diameter from 20 to 120 nm, the thicknesses were measured by gravimetric and special AFM scans, they showed values between 1300 to 1450 nm. UV - Vis studies showed that the PPy films exhibit weaker absorption peak at 477 nm and stronger absorption peak at 906 nm and the XRD patterns of the deposited PPy show two peaks around 2? of (43o) and (50o).The shift in Ecorr of the uncoated and of the PPy coated samples are between ( - 600 to - 200 mV) and ( - 200 to 100mV) for CS and SS316 respectively.The protection effectiveness of all PPy coated specimens showed remarkable degree of enhancement, and the %PE ranged between (30 to 80%) for CS and (78 to 96%) for SS316 in all medias.The values of Ea and ?H* of the coated PPy metals are always higher than the uncoated ones which indicate more energy barrier. The negative entropy ?S* for the uncoated and coated samples indicates that the activated complex in the rate determining step represents an association rather than a dissociation step, the measured ?G* values takes positive values and showed almost small change with increasing temperature, indicating that the activated complex was not stable and the probability of its formation decreased somehow with rise in temperature and the ?G* values for coated samples reveal that in the activated corrosion complex becomes less stable as compared to the uncoated specimens.Single cyclic potentiodynamic tests conducted at 293 K to follow up the pitting probabilities of each alloy in all medias before and after coating, the I - V plots indicated that only SS316 in salty media specimens suffer from pitting corrosion and the PPy coating reduces the pitting area of the hysterias loop with pushing the pitting potentials for more positive values

تقدير التعكرية لفصائل منتخبة باستخدام التشعيع بمصفوفة من ثنائي وصلة باعث وبمتحسسات شمسية بتقنية الحقن الجرياني المستمر : دراسة وتطبيق == Turbidimetric Determination of Some Selected Species Via The Use of Linear Array Light Emitting Diode Irradiation With Solar Cell In Continuous Flow Injection Analysis : Study And Application

Author name: محمد كاظم حمود
Supervisor name: عصام محمد علي شاكر الهاشمي
General topic: Chemistry
Specific topic: Chemistry
Degree: Master
Language: English
University location: Baghdad
First pages:
Abstract: في هذا البحث تم تقدير المركبات(SMX,TMP,CAF,HYO and PAR) باستخدام المشتقات الطيفية (الاولى , الثانية ,الثالثة والرابعة). على شكل امزجة ثنائية للادوية بواسطة تطبيق التقاطع الصفري كما يلي : 1 - مزيج السلفاميثاكسازول والترايميثوبريم باستخدام المشتقة الاولى و| This research includes determination of drugs SMX, TMP, CAF, HYO and PAR using derivative spectrophotometry (first, second, third and fourth derivative) were developed for binary mixture by applying zero - crossing technique for pure synthetic mixture and their pharmaceutical formulation as follows : 1. SMX with TMP mixture : SMX was determined by applying 1D&4D teach s at 288.0 and 257.8 nm (zero crossing point of TMP) with linear concentration ranges (2 - 30) and (2 - 25) mg/L , r = 0.9996 and r = 0.9992 LOD = 0.750 and LOD = 0.360 mg/L and TMP was determined by applying 4D teach at 251.5 nm (zero crossing point of SMX) with concentration range (2 - 30) mg/L , r = 0.9995 and LOD = 0.382mg/L. The RSD were 0.255, 0.280 and 1.136 for SMX and TMP respectively and applied for (TRIMOL - 400SMX, 80TMP mg) and (METHOPRIM - 400SMX,80TMP mg).2. PAR with CAF mixture : PAR was determined by applying 3D teach at 275.8 nm (zero crossing point of CAF).With linear concentration range (2 - 35) mg/L , r = 0.9987and LOD=0.445mg/L. And CAF was determined by applying 4D teach at 294.7 nm (zero crossing point of PAR). With linear concentration range (2 - 35) mg/L , r = 0.9995 and LOD = 0.162 mg/L. The RSD was 0.222 for PAR and 0.130 for CAF and applied for (PANADOL EXTRA - 500PAR, 65CAF mg).3. PAR with HYO mixture : PAR was determined by applying 1D&2D teach s at 297.4 and 303.5 nm (zero crossing point of HYO) with linear concentration ranges (2 - 30) and (2 - 30) mg/L , r = 0.9998 and r = 0.9987 LOD = 0.081 and LOD = 0.250 mg/L and HYO was determined by applying 1D teach at 215.9 nm (zero crossing point of PAR) with concentration range (2 - 25) mg/L , r = 0.9997 and LOD = 0.091mg/L. The RSD were 0.107, 0.400 and 0.342 for PAR and HYO respectively and applied for (SPAZMOTEK PLUS - 500PAR,10HYO mg). This thesis has mainly been structured in three different chapters, each one containing the following information : Chapter one provides a short historical review with the analytical performance characteristics of UV - visible are described. The applications of UV and DS in pharmaceutical and SMX, TMP, CAF, HYO and PAR analyses and their mixture.the general and specific objectives of thesis are reported. Chapter two corresponds to the experimental part. Reagents, instruments, procedures and detail protocols for the preparation of standard solution and pharmaceutical sample which used in this study are reported.Chapter three contains the experimental results and discussion that lead to the possibility of successful applications which used DS to determine the concentration of each material in drugs.

نمط جديد للتحليل بالحقن الجرياني المستمر باستخدام نظام تشعيع متعدد القنوات مرتبة بهيئة مصفوفة خطية واثنان من الخلايا الشمسية لقياس التعكرية لتقدير الفصائل التحليلية ذات الاهمية : دراسة وتطبيق == New Mode of Cfi Analysis Using Multiple Channel Irradiation System In A Linear Array Arrangement With Twin Solar Cells For Turbidimetric Determination of Analytically Interesting Species : Study & Application

Author name: عمر اياد ياسين القيسي
Supervisor name: نغم شاكر تركي العوادي
General topic: Chemistry
Specific topic: Chemistry
Degree: Doctorate
Language: English
University location: Baghdad
First pages:
Abstract: الفصل الاول : يشمل الفصل الاول مقدمة عن تفاعلات الترسيب، مبادئها، ميكانيكية تكوين الرواسب، انواع الرواسب. وكما يتضمن الفصل الاول مقدمة عن الضوء والنظرية الكهرومغناطسية، وتداخل الضوء مع المادة (الانعكاس، الانكسار، النفاذية، الامتصاص). ناقش الفصل الاول بشكل

دراسة مقارنة ترددات الاهتزاز والصفات الفيزياوية والطاقية لوحدات بناء جزيئة الفلرين و(ZigZag) (SWCNT) باستخدام طريقة ميكانيك الكمي == Comparative Study of Vibrational Frequencies, Physical And Energetic Properties For Units Construction of Fullerene Molecule And (ZigZag) (SWCNTs) Using Quantum Mechanical Method

Author name: خالدة عبيد سماوي
Supervisor name: رحاب ماجد كبة
General topic: Chemistry
Specific topic: Analytical Chemistry
Degree: Master
Language: English
University location: Baghdad
First pages:
Abstract: Chapter one : Includes an introduction of the light scattering, types of light scattering and its relation ship to the size of precipitate particles which causing the scatter of light. It also involves an introduction to the concept of turbidity and nephelometry for the scattering of incident light, units of both these, as well as an introduction of light emitting diode. This chapter also describes an introduction to flow injection analysis, its principles of the FIA, dispersion, diffusion law , kinds and application and finally followed with the aims of the project.Chapter two : Comprises a complete description for the chemicals used, their preparations in addition to describe the components of flow injection system.Chapter three : consists of two parts : First part : Describes the design of Ayah 6SX1 - T - 2D solar cell CFI Analyser. Also, a full well clear representation of the expected echanism of what might be happened inside the measuring cell for what was measured whether turbidity solutions (measured reflection of incident light by the presence of precipitate particles surface) or a coloured transparent solutions will act normally as absorbance measurement. In second part : A description for the calculation of dilution factor toevaluate the designed manifold system in continuous flow injection analysis via the chasse and following an air bubble through the whole design. Chapter four : Describes the efficiency and its capability of Ayah 6SX1 - T - 2D solar cell CFI Analyser in distinguishing between precipitated and coloured transparent solutions.For precipitate reaction product gives a positive responses by the effect of reflection , this method is used to determine Cd(II) ion. A method is based on the formation of a yellowish white precipitate for the complex Cd3[Fe(CN)6]2.The linearity of Cd (II) ion is ranged from 0.05 to 12 mmol.L - 1, with correlation coefficient r= 0.9951, limit of detection (LOD) 25.29 ng/sample (3SB)(S/N=3) and the percentage relative standard deviation for 4 and 8 mmol.L - 1 less than 1 % (n=5). This method has been applied successfully to determine a Cd (II) ion in a random river samples. Also provided a comparison between the new method with the classical method (HANNA instrument for turbidity measurement) using the standard additions method via the use of ANOVA - treatments. It was noticed that there is a significant difference at ?=0.05 between the two methods at level < 0.05 was obtained.On that basis the new method can be accepted as an alternative analytical method.While a coloured transparent solutions gives a negative responses, this idea is applied for the determination of vanadium (V) ion. This method is based on oxidation of pyrogallol by vanadium (V) ion in acidic meadium to form color species. The linear dynamic range for the instrument response versus vanadium(V) concentration was 1 - 200 mg.L - 1 with correlation coefficient r = 0.9920. The limit of detection (S/N=3) was 70 ng/ sample from the step wise dilution for the minimum concentration in the linear dynamic range of the calibration graph with RSD % for the repeatability lower than 1% for 90 mg.L - 1 (n=5) concentration of vanadium(V). The method was applied successfully for the determination of vanadium (V) in three river samples. A comparison was made between : two methods proposed method with classical method (UV - Vis spectrophotometry at wave length 427 nm) using the standard addition method via the use of paired t - test. It was noticed that there was no significant difference betweentwo methods at 95 % confidence level. Chapter five : Metronidazole (MTZ) and Mebeverine hydrochloride (MVH) are determined in pharmaceutical preparation as alternative analytical procedures. That were developed by continuous flow injection analysis via turbidimetric (T0 - 180 o).For metronidazole (MTZ), the developed method was based on the formation a greenish yellow precipitate as an ion pair complex by reaction between phosphomolybdic acid with metronidazole in aqueous medium. Linear dynamic of metronidazole is ranged from 0.05 - 8 mmol.L - 1,with correlation coefficient r = 0.9821. The limit of detection (S/N= 3 )(3SB)=171.15 ng/sample from the step wise dilution for the minimum concentration in the linear dynamic ranged of the calibration graph with RSD% lower than 0.5% for 4, 4.5 mmol.L - 1 (n=5) concentration of metronidazole. The method was applied successfully for the determination of metronidazole in three pharmaceutical drugs. A comparison was made between the newly developed method analysis with the classical method (HANNA instrument for turbidity measurement) using the standard additionmethod via the use of t - test. It was noticed that there was no significant difference between two methods at 95 % confidence level. For mebeverine hydrochloride (MVH) is determined by formation of a pinkish banana color precipitate as an ion pair complex between Phosphotungstic acid with mebeverine hydrochloride in aqueous medium.The linearity is ranged form 0.05 to 12.5 mmol.L - 1, with correlation oefficient r=0.9966, limit of detection (S/N=3)(3SB)= 521.92 ng/sample and RSD% (n=6) at 2 and 6 mmol.L - 1 MVH concentration less than 1% was obtained. The method was applied successfully for the determination of mebeverine hydrochloride in three pharmaceutical drugs using standard addition method. A comparison was made between the quoted value and the practically found values for three different kinds of drug by t - test. It showedthat there was no significant difference between the quoted value of each individual company with calculated t - value at 95% confidence interval from developed method.Chapter Six : Summarizes a set of conclusions based on the results of this research work which relates to the use of new patterns and methods for the determination of some analytical species by the developed FIA technique, as well as, some future prospects for the homemade FIA system.

التقدير الطيفي لبعض المركبات العضوية المعوضة والمستحضرات الصيدلانية من خلال الاكسدة بايون السيريوم الرباعي باستخدام المحلل الطيفي الدقيق للتحليل بالحقن الجرياني المستمر (Ayah 3S BGR x3 -3D solar cell) == Spectrophotometric Determination of Some Substituted Organic Compounds And Pharmaceuticals Formulation Via Their Oxidation With Ce(IV) Ion Using Ayah 3SBGRx3 - 3D Solar Cell CFIA Microphotometer

Author name: مالك حسين علي العلوش العامري
Supervisor name: نغم شاكر تركي العوادي
General topic: Chemistry
Specific topic: Physical Chemistry
Degree: Doctorate
Language: English
University location: Baghdad
First pages:
Abstract: تم استخدام حسابات ميكانيك الكم التقريبية شبه التجريبية وفق نموذج الحساب PM3)) وحسابات ميكانيك الكم الاساسية التامة غير التقريبية وفق نظرية دوال الكثافة (DFT) وباسلوب B3LYP وعناصر قاعدة 6 - 311G لحساب جزيئة الفلرين التي امتلكت التماثل Ih مع وحدات بناءها (5 | Semi - empirical quantum mechanical methods (PM3) and Density Functional theory calculations (DFT/ B3LYP/ 6 - 311G) were executed to evaluate the fullerene molecule ,the internal coordinates (bond length and angles) and some physical and energetic properties.Calculations of the geometrical Parameters (bond lengths and bond angles), have shown that the (C=C) bond length is increased with increasing the size of the molecule that increased elasticity especially to fullerene to be like a ball. The (C - C) bond length is decreased with increasing the size of molecule, that means fullerene will be more stable than the other molecules.The energetic values (heat of formation) is found to be increased with the increasing of the size of molecule. The total energy is decreased with increasing size of molecule that means the stability will increase with the increasing of the size of unit construction of fullerene molecule , on the other hand , the energetic difference (E HOMO - LUMO) between the higher level of orbital and the lower level of orbital are decreased with the increasing of the size of molecule ' unit construction reaching to the fullerene molecule. So, this property will increase the significance of fullerene in the industrial and the electrical purposes.The vibrational modes frequencies with ( 3N - 6) whereas N is represented by number of molecule atoms which are evaluated with the absorption intensities of infrared frequencies. symmetrical and coordinated modes were discussed at the equilibrium geometric formation by using the programs MOPAC & Gaussian 05.It is worthy to say that it was not mentioned before that the complementary classification for the vibrated motion modes for such molecules , so our evaluations may considered unique. It is noted , as well , that CH stretching frequency has had fluctuations that means increasing and decreasing in the values of frequencies. In connected with the bending vibrated modes which taking place out of plane of the molecule are decreased with the increasing size of the unit constructions of molecule but it is increased only at the fullerene molecule. Conversely, the bending vibrated modes which are taken place in the plane of molecule are increased with the increasing the size of unit construction of molecule but are decreased at the fullerene molecule.The distribution of the electronic charges density on the atoms of unit construction of fullerene molecule were studied, the results shown the absence of the electronic charge on the atoms of Fullerene molecule and its concentrated at atoms of the outer circumferential edges C - Cc for the aromatic rings in its own unit construction. Semi - empirical methods (PM3) and Density Functional theory calculations (DFT/ B3LYP/ 6 - 311G) were carried out to evaluate the vibration frequencies and infra - red (IR) absorption intensities for equilibrium geometries of construction units of (6,0) zigzag (Mono (D6h), Di (D6d), Tri(D6h), Tetra (D6d)) ring layers SWCNTs and the internal coordinates ( bond length & angles ) at the equilibrium geometric formation symmetrically according to group theory were evaluated. The most important notes were axial bond length C - Ca which is decreased with the increasing of the tube length whether odd or even number of ring layers. The length of these mentioned axial bonds will be longer in the outer layers than the middle layers that means the increasing of stability of the tube with its length increasing , with the ability of replacing the external atoms of the tube because they are connected with longer and weaker bonds. The reverse was found with the circumferential bond lengths C - Cc was as they were increased with the increasing length of the tube whether the tube was odd or even in number of ring layers. Moreover , the lengths of these bonds are decreased in the middle side to the outer one for the odd and even ring layers. This will confirm the stability of the tube with its length increasing. The lengths of outer bonds C - H which are situated on the edges of the tube which were approximately fixed , with exception of the bond length of CH bonds in Mono ring layers which were longer because the large negative charge on carbon to which it is bonded and the large positive charge on it compared with the positive charge on hydrogen atoms of the multi - layers tubes. The heat of formation which was found to be increased with the increasing of the length of the tube , that means increasing of the stability and the aromatic properties , with the increasing of number of tube' layers. This property will increase the importance in the uses of these tubes for the industrial and electrical purposes as semi - conductors.The vibrational modes frequencies with 3N - 6 with the absorption intensities of infrared frequencies were evaluated and classified. These modes were discussed in symmetrical and coordinating manners at the equilibrium geometric formation, by using the programs of MOPAC and Gaussian 05 , with confirming on unavailability of bounded specification for such modes with 3N - 6 in the literature. We have a through our studies that the stretching vibration modes of symmetric and anti - symmetric Carbon - Carbon axial bond (C - Ca) increased with the increasing length of tube , and this will increase the physical properties for electrical conductivity with confirming on the significance of nanotube industrially. For the vibrational bending frequencies which are taking place in plane and out of plane of molecule surface as well as the vibrational stretching for odd number of ring layers (Mono and Tri) fluctuation will be happening in the relations , as all of them will be decreased with the increasing of tube ' length except (C - Caasym, C - Casym , ? CHsciss. , ? ringasym , ? ringsym and ? ringsym ) which be increased with the increasing the length of tube. The vibrational bending frequencies which are taking place in plane and out of plane of molecule surface for the even number of ring layers ( Di and Tetra layers ) will be decreased with the increasing of tube' length except (? CHsciss.) which is increased with the increasing of tube' length. Furthermore , all vibrational modes which are related to the puckering , breathing and bending movements of clockwise and anti - clockwise according to "group theory" were determined in accurate manner to which deformations are related , which are happened in the tubes , as a result of vibration, that may prevent the flow of electrons' movements and their transitions. The numerical values for the vibrational frequencies which are resulted from Semi - empirical methods (PM3) were acceptable in comparing with the strict calculations , hopping to achieve best values and to be close to the values obtained for the strict calculations (DFT) method to be suited with the basis and standards that are depended internationally. Some of these values were corrected by multiplied by constant scaling factors for such molecules. The results of scaling were good and very close to the experimental and calculated values.The distribution of charges' density on units of construction atoms of (6,0) zigzag nanotube SWCNTs also were studied. The results were consistent with the physical and experimental conductivity properties for such calculated tubes , as the intensity of the electronic charge was concentrated on the outer circumferential edges of atoms C - Cc for the aromatic molecules as well as for nanotubes with its disappearing form outer side towards the middle side of multi - ring layers ( Mono , Di , Tri and Tetra ).

تقدير بعض الملوثات العضوية وازالتها من محاليلها المائية باستخدام اطيان عراقية واطيان عراقية محورة وتطبيق برنامج شبه تجريبي لدراسة الامتزاز نظريا == Determination And Removal of Some Organic Pollutants From Aqueous Solution By Using Iraqi Clays, Modified Clays And Applied Semi - Empirical Program To Theoretical Adsorption Study

Author name: اقبال سلمان محمد
Supervisor name: سعدية احمد ظاهر | خلود عبد صالح
General topic: Chemistry
Specific topic: Chemistry
Degree: Master
University: University of Baghdad
Language: English
University location: Baghdad
First pages:
Abstract: تم في هذه الدراسة تحضير معقدات مخلبية للموليبدنيوم (V) مع ليكاندات ثنائي الالكيل ثنائي ثايوكاربامات وتشخيصها طيفيا" باستخدام مطيافية الاشعة المرئية والفوق البنفسجية ومطيافية الاشعة تحت الحمراء, وهذه المعقدات هي : 1 - فنيل هايدرازايدو - ثلاثي (ثنائي مثيل ث | This study included Preparation of chelate molybdenum(V) complexes with diethyldithiocarbat ligands and characterized them by (UV - Visible) and infrared (FTIR) spectroscopy.These complexes are : 1 - Phenyl hydrazido - tris - dimethyldithiocarbato molybdenum(V) [Mo(N2ph)(S2CNMe2)3].2 - Phenyl hydrazido - tris - diethyldithiocarbato molybdenum(V) [Mo(N2ph)(S2CNEt2)3].3 - (2,4 - dinitro - Phenyl hydrazido) - tris (diMethyldithiocarbamato molybdenum(V). [ Mo( N2ph - (NO2 )2) (S2CNMe2)3 ]. 4 - (2,4 - dinitro - Phenyl hydrazido) - tris (diethyldithiocarbamato molybdenum(V). [ Mo( N2ph - (NO2 )2) (S2CNEt2)3 ].The study of the kinetics of chemical decomposition for these chelates complexes by using irradiation of these complexes solution, by using a mono wave light (? = 365nm) and temperature (25?C) for (60 min) in ethanol solvent. The result for all complexes were that the order of photochemical decomposition was first order reaction. As well as the rate constants of photo decomposition reactions (kd) were calculated by observed a spectral changes during irradiation process. To know the best conditions for decomposition of these complexes, it is necessary to study the effect of several factors on photo chemical behavior for complexes which included : Effect of concentration of complexes, where five concentrations of complexes have been studied and found that the highest decomposition rate have observed at lowest concentration (2.5x10 - 5M). In addition, study the impact of change in intensity of light on decomposition rate. The result was when the light intensity increase, rate of complexes decomposition also increased. Also study a decomposition of complexs at temperature range (25 - 40?C). The result was when increasing temperature, the rate of complexs decomposition was increas, also the values of activated energy of all complexes where calculated and the results where show in the table : Activated Energy (kj / mole) Complex24.808 B122.971 C120.209 B217.778 C2 Also study effect of pH value at ranging (3 - 11) and found that the rate of the complexes decomposition increased when pH of solutions decreases. The effect of four alcoholic solvent were studied such as (methanol, ethanol, 1 - butanol and isopropanol), and found that the highest decomposition rate of these complexes achieved in Methanol, while the lowest decomposition rate of these complexes achieved in Isopropanol. In addition study the effect of each of nitrogen gas, oxygen gas and the atmospheric air on the rate of complexes decomposition and compile the results with recorded results in normal conditions, the highest decomposition rate observed in presence of oxygen gas and the lowest decomposition in presence of nitrogen gas. The mechanism of photo chemical decomposition of these complexes has been interpreted by spectrophotometric technique, were the conclusion that have been obtained that there is (redox - reaction) happening in these complexes and the output of processes of homo cleavage of bond (M - L) that leading to reduction of metal ions and oxygenation of ligand and formation free radicals.
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