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

اسم المؤلف: احلام حسين حسن
اسم المشرف: محسن عبود محسن العبادي
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء العضوية
الدرجة: ماجستير
اللغة: الانكليزية
مكان الجامعة: النجف
الصفحات الاولى:
المستخلص: 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

اسم المؤلف: مصطفى محمد كريم
اسم المشرف: حسين كاظم الحكيم
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء
الدرجة: ماجستير
اللغة: الانكليزية
مكان الجامعة: النجف
الصفحات الاولى:
المستخلص: 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

اسم المؤلف: تمارة احمد عبد الكريم العبيدي
اسم المشرف: زينب منيب مالك الربيعي | غيد حسان عبد الهادي العبيدي
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء
الدرجة: ماجستير
الجامعة: جامعة بغداد
اللغة: الانكليزية
مكان الجامعة: بغداد
الصفحات الاولى:
المستخلص: 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

اسم المؤلف: رائد عبد شاكر محمود
اسم المشرف: عبد الكريم محمد علي جبر السامرائي
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء
الدرجة: ماجستير
الجامعة: جامعة بغداد
اللغة: الانكليزية
مكان الجامعة: بغداد
الصفحات الاولى:
المستخلص: 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

اسم المؤلف: محمود عبد الستار يحيى القزاز
اسم المشرف: ابتسام خليفة جاسم
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء الفيزيائية
الدرجة: ماجستير
الجامعة: جامعة بغداد
اللغة: الانكليزية
مكان الجامعة: بغداد
الصفحات الاولى:
المستخلص: 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

اسم المؤلف: اية جمال عبد الحميد
اسم المشرف: فراس عبد الله حسن
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء
الدرجة: دكتوراه
اللغة: الانكليزية
مكان الجامعة: بغداد
الصفحات الاولى:
المستخلص: 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

اسم المؤلف: رواء عباس محمد
اسم المشرف: عبد الكريم محمد علي جبر السامرائي
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء
الدرجة: ماجستير
الجامعة: جامعة بغداد
اللغة: الانكليزية
مكان الجامعة: بغداد
الصفحات الاولى:
المستخلص: 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

اسم المؤلف: نبراس مظفر جميل
اسم المشرف: جمبد هرمز توما | ضحى فاروق حسين
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء الفيزيائية
الدرجة: ماجستير
الجامعة: جامعة بغداد
اللغة: الانكليزية
مكان الجامعة: بغداد
الصفحات الاولى:
المستخلص: 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

اسم المؤلف: محمد كاظم حمود
اسم المشرف: عصام محمد علي شاكر الهاشمي
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء
الدرجة: ماجستير
الجامعة: جامعة بغداد
اللغة: الانكليزية
مكان الجامعة: بغداد
الصفحات الاولى:
المستخلص: 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

اسم المؤلف: عمر اياد ياسين القيسي
اسم المشرف: نغم شاكر تركي العوادي
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء
الدرجة: دكتوراه
الجامعة: جامعة بغداد
اللغة: الانكليزية
مكان الجامعة: بغداد
الصفحات الاولى:
المستخلص: 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

اسم المؤلف: خالدة عبيد سماوي
اسم المشرف: رحاب ماجد كبة
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء التحليلية
الدرجة: ماجستير
الجامعة: جامعة بغداد
اللغة: الانكليزية
مكان الجامعة: بغداد
الصفحات الاولى:
المستخلص: 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

اسم المؤلف: مالك حسين علي العلوش العامري
اسم المشرف: نغم شاكر تركي العوادي
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء الفيزيائية
الدرجة: دكتوراه
الجامعة: جامعة بغداد
اللغة: الانكليزية
مكان الجامعة: بغداد
الصفحات الاولى:
المستخلص: 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

اسم المؤلف: اقبال سلمان محمد
اسم المشرف: سعدية احمد ظاهر | خلود عبد صالح
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء
الدرجة: ماجستير
الجامعة: جامعة بغداد
اللغة: الانكليزية
مكان الجامعة: بغداد
الصفحات الاولى:
المستخلص: 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.

التقدير بتقنية الحقن الجرياني المستمر التعكرية لايون الاوكسونيوم من خلال مبادل ايواني واستعمال مصفوفة خطية للتشعيع بنظام فوتومتري 5SX1 - T - 1D وباستعمال خلية شمسية كمتحسس == Turbidimetric - Cfia Determination of Oxonium Ion Through Ion Exchange Resin With The Use of Linear Array Ayah 5Sx1 - T - 1D Solar Microphotometer

اسم المؤلف: احمد ازهر منصور الصراف
اسم المشرف: عصام محمد علي شاكر الهاشمي
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء الحياتية
الدرجة: ماجستير
اللغة: الانكليزية
مكان الجامعة: بغداد
الصفحات الاولى:
المستخلص: لوحظ في الفترة الاخيرة ظهور مرض متلازمة تكيس المبايض في الاناث خلال سن الانجاب، ان نشوء المرض ربما يعود للاختلال الهرمونات ( المبايض، الغدة النخامية ) ومقاومة الانسولين. ومؤخرا تم استخدام هرمون الانتي - مولرين كمؤشر في التشخيص الدقيق لمرض متلازمة تكيس | In the recent period there had been increased emergence of polycystic ovary syndrome in females during the reproductive age, which may be due to hormonal imbalances (ovaries, pituitary gland) and insulin resistance. Recently Anti - Mullerian hormone had been used as an indicator for determining the degree and accurate diagnosis of polycystic ovary syndrome in serum of patients as well as the measurement fasting insulin and other hormones routine.Aim of study : - ? Proof that anti - mullerian hormone is a marker for diagnosis of polycystic ovary syndrome patients. ? Compares hormones level as : anti mullerian hormone, fasting insulin, luteinizing hormone, follicle stimulation hormone, Prolactin, testosterone between polycystic ovary syndrome and normo - ovulatory women. ? Correlate the level of anti mullerian hormone with other the biochemical features as hormones follicle stimulation hormone, luteinizing hormone, testosterone, prolactin and insulin resistance.? To find a cut - off value for anti - mullerian hormone in Iraqi women with polycystic ovary syndrome. Subjects and Methods : - Forty patients with polycystic ovary syndrome , aged ( 20 - 35) years attending AL - Seweraa hospital / Waset , Kamal AL - Samarai hospital / Baghdad for infertility and gynecology and Al Elwiya Maternity Teaching Hospital were included in the present study , also forty normal fertile females ,aged (21 - 37) years who serve as control group. Blood samples were taken from all subjects from day 2 - 5 day of menstrual cycle. The level of all parameters were quantitatively determined in patients and control subjects by Vidas. Except Anti - mullerian hormone and insulin hormone quantitatively determined in patients and control subjects by Enzyme - Linked Immuno Assay [ELISA]. Test using commercially available Kits as well as the important measurements that had been done include body mass Index.Results : - ? There was a significant [P = 0.0001] increase in Anti mullerian hormone in polycystic ovary syndrome patients compared to controls.? There was a significant [P = 0.0001] increase in luteinizing hormone in polycystic ovary syndrome patients compared to controls , while the level of follicle stimulation hormone and fasting serum glucose was found to be insignificantly when compared with control group.? There was a significant [P = 0.001] increases in testosterone and prolactin hormones in polycystic ovary syndrome patients compared to controls.? Anti - mullerian hormone is more sensitive and specific than the other tests in predicting the occurrence of the disease with a cut off value (>7.9). ? The mean serum level of fasting insulin, homeostatic model assessment was significantly [P=0.0001] elevated in the polycystic ovary syndrome patients when compared to that found in the control group.

تحضير وتشخيص بعض المشتقات الجديدة للبنزايميدازول المعوضة == Synthesis And Characterization of Some New Substituted Benzimidazole Derivatives

اسم المؤلف: سحر ثامر عداي
اسم المشرف: عبد الامير مطلك فنجان
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء التحليلية
الدرجة: ماجستير
الجامعة: جامعة بغداد
اللغة: الانكليزية
مكان الجامعة: بغداد
الصفحات الاولى:
المستخلص: The project conducted in this research work was carried out from December 2013 to June 2014 which leads to this thesis, which are in five chapters. All these chapters cover up the survey, the practical part of preparing, manufacturing and using Atomic force Microscopy that have been adopted during this research work, and the results were subjected into various internationally used mathematical and data treatments.Chapter OneDiscusses the acids, ion exchange, precipitation reaction, crystal growth theories, light scattering, turbidity and describe FIA in general, it is classification and fundamentally involved ideas without forgetting the use and applications of FIA. Chapter one also discusses derivative spectroscopy, definition, classification, the applications. This chapter ends with the aim of the project.Chapter Two : In this chapter a complete description of the chemicals and ion exchange column, their preparations and their use throughout this project. This chapter describes the use of flow system with all it is components (i.e. peristaltic pump, connection tubes, junction(Y - junction), six ports injection valve, ion exchange column and measuring readout system). Chapter Three : Consists of four parts The first part describes the design of Ayah 5SX1 - T - 1D Solar cell CFIA and deals with calculation of dispersion to evaluate the change in concentration ateach location of the designed manifold system via the chasse of an air bubble. The second part deals with the analysis carried out in this research work. Determination of oxonium ion (HClO4, HNO3, H2SO4 and HCl) via turbidity of solution of zinc (II) ion in cation exchange column - K3[Fe(CN)6] system. A comprehensive detailed study was carried out using Ayah 5SX1 - T - 1D Solar cell CFIA microphotometer. The linear range (10 - 100 mMol.L - 1), limit of detection (43.20, 57.14, 30.28, 30.97 ng/sample) for above mentioned acids and percentage of relative standard deviation < 2% for five successive measurement of 20 and 80 mMol.L - 1 for used acids. The method was applied successfully for determination of the mentioned oxonium ion in pure and commercial samples. A comparison was made between the newly developed method and the classical method pH meter using of paired t - test. It was noticed that there was no significant difference between two methods.The third part deals with the analysis carried out in this research work. Determination of oxonium ion (HClO4, HNO3, H2SO4, HCl) via turbidity of solution of copper (II) ion in cation exchange column - K3[Fe(CN)6] system. A comprehensive detailed study was carried out using Ayah 5SX1 - T - 1D Solar cell CFIA microphotometer. The linear range (10 - 100) mMol.L - 1, limit of detection (42.94, 39.14, 20.61, 26.11 ng/sample) for above mentioned acids and percentage of relative standard deviation < 2.5% for five successive measurement of 20 and 100 mMol.L - 1 for used. The method was applied successfully for determination of the mentioned oxonium ion in pure and commercial samples. A comparison was made between the newly developed method and the classical method pH meter using paired t - test. It was noticed that there was no significant difference between two methods.The fourth part deals with the approache that was used through linear array Ayah 5SX1 - T - 1D continuous flow injection analyzer to distinguish between the responses that were obtained i.e. discrimination between the kind signals that were completely different.Chapter FourDeals with studying topography and morphography of the Zn3[Fe(CN)6]2 and Cu3[Fe(CN)6]2 complexes using atomic force microscopy. Chapter Five : This chapter concludes few interesting points based on the obtained results throughout this research work, such as conclusions and future work, Published work, and references. -

تقدير السبروفلوكساسين, النورفلوكساسين والحديد الثلاثي باستعمال الطرق الطيفية مع الاستخلاص بنقطة الغيمة == Determination of Ciprofloxacin, Norfloxacin And Iron (III) Using Spectroscopic Methods With Cloud Point Extraction

اسم المؤلف: نورا سعد مبدر
اسم المشرف: زهير عبد الامير خماس
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء العضوية
الدرجة: ماجستير
اللغة: الانكليزية
مكان الجامعة: بغداد
الصفحات الاولى:
المستخلص: يتضمن البحث تحضير ستة وثلاثون مشتق جديد من مشتقات]2 - (5 - كلورو - 1H - بنزو]د[ايميدازول - 2 - يل انيلين[، وقد تمت دراستها وتشخيصها بواسطة اجراء تحاليل اطياف الاشعه تحت الحمراء FT - IR)) واطياف الرنين النووي المغناطيسي للبروتونH - NMR)1) لها.تم تقسيم تح | This research includes synthesis of thirty six new derivatives of [2 - (5 - chloro - 1H - benzo[d]imidazol - 2 - yl)aniline] and these derivatives were characterized by their FT - IR and 1H - NMR spectra.The synthesized compounds were divided into three parts : - The first part involved : - 1 - Synthesis of 2 - (5 - chloro - 1H - benzo[d]imidazol - 2 - yl) aniline [1] by the reaction of 4 - chloro - 1,2 - diaminobenzene with anthranilic acid and hydrochloric acid as a reagent.2 - Acetylation of compound [1] by using acetic anhydride in order to obtaine the Acetamide compound [2]. 3 - Synthesis of N - [2 - (5 - chloro - 1H - benzo[d]imidazol - 2 - yl) phenyl) - hydroxyl N' - methyl] acetimidamide [3] by the reaction of compound [2]with hydroxyl amine hydrochloride and sodium carbonate.4 - Synthesis of Benzimidazolyl Chalcone derivatives [4 - 11] by the reaction of the compound [2] with various aromatic aldehydes such as benzaldehyde ,4 - nitro benzaldehyde,4 - chloro benzaldehyde and 4 - methyl benzaldehyde.The second part included : Mannich reaction was carried out based on the compound [1] using formaldehyde and different secondary amines such as piperdine , indole, diphenyl amine , morpholine , indole - 3 - acetic acid , and imidazole to offered [12 - 24]. The third part was synthesized as following : - 1 - Synthesis of Schiff bases [25 - 32] from the reaction of compound [1] with various aldehydes such as benzaldehyde, 4 - bromobenzaldehyde, 4 - hydroxy benzaldehyde, and glutar aldehyde.2 - Reaction of Schiff bases [26 - 29] with mercaptoacetic acid to give new compounds containing thiazolidin ring [33 - 36].

تحضير وتشخيص الدقائق النانوية لاوكسيد النحاسوز بواسطة الكتروليتات مختلفة == Preparation And Characterization of Cuprous Oxide Nanoparticles By Different Electrolytic Media

اسم المؤلف: حيدر خضير خطار
اسم المشرف: فؤاد عبد الامير السعدي | سامي وحيد راضي الحسناوي
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء الفيزيائية
الدرجة: ماجستير
اللغة: الانكليزية
مكان الجامعة: النجف
الصفحات الاولى:
المستخلص: في الواقع، لم تلقي عملية فصل واستخلاص الكميات الضئيلة من الادوية في العينات الحيوية وكذلك في المستحضرات الصيدلانية اهتماما واسعا وكبيرا باستعمال مايسمى الاستخلاص بنقطة الغيمة. وفي هذا الصدد، نعتقد ان العمل البحثي الحالي سوف يسهم في فتح افاق جديدة في تصم | The separation and extraction of trace amounts of medicaments in biological specimens, as well as in pharmaceutical formulations have not received much attention by using the so - called cloud - point extraction (CPE). In this context, we think that the present research work will contribute to opening new prospects in designing procedural steps and expands the applications of the cloud point extraction methodology in most important areas, including pharmaceutical sciences, forensic and environmental analyses. The present work concentrates on the developing of new eco - friendly procedures for determination of two selected antibiotic medicaments namely cirprofloxacin chloride (CIPRO) and norfloxacin (NOR) using iron (III) ion in human serums and pharmaceutical formulations, as well as the exploitation of these two drugs in chemical analysis as chelating agents for the detection of iron in pharmaceutical formulations via using cloud point extraction coupled with molecular spectrophometry. Generally, these methods implicate the use of a nonionic surfactant (Triton X - 114) as an extracting medium which entrap the hydrophobic colored complex formed between one of these drugs and iron (III) ion in acidic medium as a reaction system for designing the CPE procedures.This thesis includes three main chapters as follows;Chapter One summarizes some theoretical and practical principles of cloud point extraction (CPE) methods and then highlights the knowledge of the target analytes (CIPRO, NOR and iron) in term of their structures, pharmacological importance besides a concise chemical literature review for the estimation of these analytes by different analytical techniques. Chapter Two consists of an outline of instrumental techniques , general apparatus and chemicals used in the present work. The full analytical procedures for CPE which have been designed for the determination of the target analytes under study are made in this thesis.Chapter Three covers a detailed study for the discussion of the analytical data obtained throughout this work which can be summed up as follows;A. Formation of chelates between CIPRO or NOR and Fe(III) in acidic medium , where the drugs have individually been estimated in the resulting complex by spectrophotometry after the cloud point extraction at each respective ?max, and the use of developed method so that to determine any of the interested drug in human serum and pharmaceuticals. At first, the study was conducted to pinpoint the optimum conditions for the formation of complexes by CPE and the results were as follows; 1. The optimum experimental conditions for Fe - CIPRO and Fe - NOR complex for the determination of CIPRO and NOR respectively : H2SO4 concentration (5x10 - 4 M and 2.5x10 - 4M; Fe(III) concentration ( 6 ?g mL - 1 and 10 ?g mL - 1); Triton X - 114 amount ( 1%) for both drugs; temperature and time ( 75 °C at 25 min and 65 °C at 20 min).2. The achieved analytical figures of merit on applying the developed methods for CIPRO and NOR are : linear range (2.5 - 120 ?g mL - 1 ) for drugs, limit of detection (0.770 and 0.204 ?g mL - 1), Enrichment factor (143 and 280 fold), extraction efficiency (96.46 and 96.62%) and mean recovery percentage (98.89±0.87% and 98.95±1.09). 3. The newly established procedures have been applied for the determination of CIPRO and NOR in human blood serum and pharmaceuticals. For the determination of these medicaments in serum samples , the statistical paired t - test was used to test the significance of the proposed method comparing with the conventional UV - spectrophotometry, while in pharmaceuticals, the findings were compared statistically with quoted values that stated by the manufactures. B. Iron (III) ion was also determined in the pharmaceutical formulations based on the above reaction system in (A) via formation of yellow colored complexes with each medicament which extracted by micelles generated by CPE and subsequently detected spectrophotometrically at the same ?max of the above mentioned complexes. The optimum established conditions and the analytical data obtained could be summarized as follows : 1. The same optimum conditions were used in (A) except that the concentration of CIPRO or NOR here was of 7x10 - 5 M and Triton X - 114 amount of 0.6% in final solutions.2. The analytical figures of merit obtained on applying the developed methods for iron using CIPRO and NOR respectively; linear range (5 - 150 ng mL - 1); limit of detection (2.67 and 3.42 ng mL - 1); preconcentration factor (71 and 83 fold); mean recovery percentage (99.78±0.53% and 98.77±2.29); extraction efficiency (99 and 98.7%). 3. The effect of some additives of the pharmaceutical formulations was also studied and the iron determined in three selected formulations collected from local drugstores. The results were compared statistically with quoted values and shown not to be significant at 95% confidence level.

دراسة التاكل والحماية من التاكل لسبائك من حديد الفولاذ في ماء البحر باستخدام دقائق اوكسيد الزركونيوم وكربيد السليكون واوكسيد الالمنيوم النانوية == Corrosion And Corrosion Protection Studies of Carbon Steel Alloy In Seawater Using; Zirconia, Silicon Carbide And Alumina Nanoparticles

اسم المؤلف: حيدر عبد الكريم يوسف
اسم المشرف: خلود عبد صالح السعدي
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء الفيزيائية
الدرجة: ماجستير
الجامعة: جامعة بغداد
اللغة: الانكليزية
مكان الجامعة: بغداد
الصفحات الاولى:
المستخلص: يعتبر اوكسيد النحاسوز واحدا من المواد ذات الاستخدامات العلمية المتعددة الاغراض وذات الاهمية الصناعية الكبيرة ,ومنها استخدامه كمتحسس للغازات وفي العوامل المساعدة وكذلك في انتاج الواح الطاقة الشمسية ويدخل وبصورة كبيرة كمحطم للصبغات العضوية في مجال الكيمياء | Cuprous oxide (Cu2O) has been extensively studied because of its potential use in several electronic applications, which include solar cells and gas sensors. This Thesis is devoted to the synthesis, characterization of nano - structured cuprous oxide by using a simple electrochemical cell with a potassium chloride solution as an electrolyte, the electro cell contains a two high purity copper electrodes as a sheet form in different areas at varying sizes the area of the cathode was twice of the area of anode , the two electrodes zone were separated using a fine diameter silica diaphragm,Within this broad scope , the Thesis focuses on : • Production of different shape nano - crystals (Cu2O) and investigation of the correlation between experimental parameters and resulting microstructure.• Production of highly purity nano - crystalline Cu2O powder, with the estimation it’s by the available investigation instruments.• Study the different parameters, current density, bath temperature, KCl concentration , types of additives , time of precipitation, and there’s effects on the shape ,quantity ,surface roughness, powder color, on the Cu2O powder. Models have been proposed for the nano - crystal formation validated by several techniques uses such as X - ray Diffraction (XRD), Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM), and Fourier Transform Infra - Red spectroscopy (FTIR). The produced nanocrystals show good crystallinity with Cu2O purity and Copper oxide semiconductor nanoparticles were prepared by electrochemistry using galvanostatic and potentiostatic approaches. The optimum deposition conditions ( electrolyte composition , medium pH , type of additives, electrodes area ,current density , temperature of the electrolyte and applied potential of the cell) , to prepare the Cu2O nano particles have been identified; in particular the conditions that allow getting this product by using KCl ,(PVA ,SDS ,and glycerin as emulsifying agent) have been well identified for the first time. The configuration of deposited Cu2O , purity and amounts. These values depend on the electro deposition conditions such as the pH of the solution, the deposition potential and temperature. Where the study results showed that there is direct effect of these factors, it has been observed that the sizes of the precipitate crystalline decreased with increasing current density and especially at high bath temperatures its ranged about 10 - 20 nm , in addition to the effect of the percentage of additives emulsifier agents the best results at poly vinyl alcohol.. The X - ray diffraction pattern and 2? values reflect that the high purity of the deposit where obtained, without any of the other undesirable products like CuO, CuCl2 and CuCl. Also the FTIR analysis was considered. the effect of additives of the type of emulsifier on the crystalline form of the deposit, the PVA produced of the Star (Branches) crystals shape, the addition of the SDS compound leads to the form of the cubic , and the glycerin product the binary pyramid crystals shape.. Finally the conditions effect on the surface roughness of the precipitated powder also discussed. Depending of the electro - deposition conditions, different surface morphologies with various preferential crystal orientations were obtained for the temperatures of the electro - deposition of 80 °C , pH = 8 - 9 , The influence of several deposition parameters of the Cu2O, such as applied potential, pH, the temperature of the bath , the chemical composition, grain size and orientation parameters of the sample was systematically studied using X - Ray Diffraction , Atomic Force Microscopy, Transmission Electron Microscopy ,Fourier Transmission Infra - Red, and scanning electron microscopy.

تحضير وتشخيص وتقييم انواع جديدة من البولي يورثان القابلة للتفكك الاحيائي ودراسة تطبيقاتها الحيوية في اطلاق الدواء == Preparation , Identification And Evaluation of New Types of Biodegradable Polyurethane And Study Their Application In Drug Delivery

اسم المؤلف: صابرين فرحان جواد
اسم المشرف: محمد علي مطر
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء الفيزيائية
الدرجة: ماجستير
اللغة: الانكليزية
مكان الجامعة: القادسية
الصفحات الاولى:
المستخلص: Corrosion and corrosion protection of carbon steel (C.S) alloy in seawater (3.5% NaCl) was achieved in this thesis. Three types of nanoparticles (NPs) were used to protect C.S the first silicon carbide (SiC), second alumina (Al2O3) and the third zirconium oxide (ZrO2) nanoparticles (NPs). Electrophoretic deposition (EPD) technique was applied to coating the C.S surface. Different polyacrylic acid (PAA) percentage (0.1 - 1)% were added to the suspension solution of coating by the three types of NPs, to improve the protection efficiency (PE%) for the coated C.S surfaces.The corrosion rate with respect to uncoated and coated C.S with the three above NPs were measured. Different corrosion parameters were obtained; corrosion current density (icorr), corrosion potential (Ecorr), cathodic and anodic Tafel slopes (bc,ba), protection efficiency (PE%), polarization resistance (Rp) and the surface porosity (P%). The effect of temperatures (298 - 328)K on the corrosion of uncoated and coated C.S by the three NPs in presence and absence of PAA were also investigated and therefore activation energy (Ea) and preexponential factor (A) were calculated. Thermodynamic parameters ?G, ?H and ?S for all corrosion processes were obtained. Coated C.S were analysed using atomic force microscopy (AFM) to detect the morphology of surface and the particles size of coat layers which range from 60 - 103 nm, which greater than thestarting particles.The corrosion current densities (icorr) were increased generally with increasing temperatures for all cases and icorr reduced after coated C.S by different NPs in absence and presence PAA, therefore icorr reduced from 168.88 ?A.cm - 2 to 19.45, 28.71 and 30.2 ?A.cm - 2 for C.S coated by SiC, ZrO2 and Al2O3 respectively at 298K.While the Ecorr shifted to more active potential after coated by different NPs excepting when C.S coated by SiC in presence of (0.25%) PAA in coating solution suspension where Ecorr shifted to noble direction. The protection efficiency (PE%) of all coated C.S in absence and presence of PAA showed noteworthy degree of enhancement and the PE% ranged between (85 to 99.65)% for SiC , (69 to 91)% for ZrO2 and (77 to 87.9)% for Al2O3. The surface porosity (P%) were increased with increasing temperatures for all cases. The activation energy (Ea) values for the corrosion of coated C.S by different NPs lead to higher values than Ea for uncoated C.S and the highest value was (71.936) kJ.mol - 1 obtained when C.S coated by SiC in presence of (0.25%) PAA. The free energy (?G) Values for the corrosion of coated C.S generally more negatively than uncoated and the values of enthalpy (?H) for the corrosion of coated C.S by ZrO2 and Al2O3 were less negatively than uncoated C.S while coated C.S by SiC lead to more negatively ?H values.

تحضير وتشخيص مركبات حلقية غيرمتجانسة ودراسة الفعالية الحيوية لها == Synthesis And Identification of Heterocyclic Compounds And Study Their Biological Activity

اسم المؤلف: رنا نعمة عطية
اسم المشرف: ماجد جاري محمد | نغم محمود الجمالي
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء
الدرجة: ماجستير
اللغة: الانكليزية
مكان الجامعة: النجف
الصفحات الاولى:
المستخلص: تضمن هذا البحث تحضير سلسلة انواع جديدة من البولي يوريثين المتفكك احيائيا والحساس لــلدالة الحامضية والذي يحتوي على مشتقات البنزوكائين المتضمنة مجموعة الازو بالبلمرة التكاثفية لـ 1,6 - hexamethylene diisocyanate في درجة حرارة 80 م مع مونمرات الازو، كيميائ | In this work series of new types of biodegradable and pH - sensitive polyurethane containing azo derivatives of benzocaine were synthesized by the condensation polymerization of 1,6 - hexamethylene diisocyanate at 80 ?C with the azo monomers. The chemically controlled release methods have been applied in which the benzocaine (drug) with active group (NH2) linked up with the spacer group (dihydroxy monomers) by azo bond formation.The First stage : The monomers synthesized from the reaction of (cyclohexanone , 1 - naphthole, 2 - naphthole , 4 - bromophenol , 3 - chlorophenol , phenol , 4 - (2,4 - dihydroxyphenyl)but - 3 - en - 2 - one , 4 - (4 - hydroxyphenyl)but - 3 - en - 2 - one and p - hydroxy acetophenone ) with acetone in presence of HCl as catalyst under reflux condition. M1 M2 M3 M4 M5 M6 M7 M8 M9The Second stage : The azo monomers were synthesized from the reaction of monomers : (M1 ,M2 ,M3 ,M4 ,M5 ,M6 ,M7 ,M8 ,M9 ,hydroquinone ,pyragollal ) with Benzocaine in presence of HCl , NaNO2 and NaOH 10% by stirring for one hour in ice bath at (0 - 5 ?C). AZO1 AZO2 AZO3 AZO4 AZO5 AZO6 AZO7 AZO8 AZO9 AZO10 AZO11 Where (R) : is the above monomers which shown in first and second stage.The Third stage : polyurethane azo was synthesized from the reaction between the azo monomers (which are shows in second stage) with 1,6 - hexamethylene diisocyanate in oil bath by refluxing for 8 hours at 80 ?C in dry nitrogene.where : ( R ) are the monomers which shown in first and second stage.The U.V - Visible , FT - IR , H1NMR techniques were used to confirm the chemical structure of the synthesized Polyurethane azo.A calibration curve between absorbance and concentration was constructed to stock solution of pure drug. the concentration of Benzocaine release was calculated by extrapolation of the result on the calibration curve every 24 hrs. The detection limit for Benzocaine was minimum used 0.001 gm/mol wavelength at 293 nm. Benzocaine was loaded into the polymeric matrix during in situ polymerization. The drug release from the benzocaine loaded was studied in two different medias ( pH=7.8, pH=4 ) at the human temperature.The results was shown that degradation of polyurethane azo in phosphate buffer solution was dependant in the pH value. In pH7.8 the polyurethane azo was rapidly released over 45 hrs. Incubation of polyurethane azo with rate cecal content at 37 ?C gradually released of benzocaine and the percentage of drug released was follow sequence (57% ,82% , 84% , 73% , 73% , 78% , 80% , 82% , 79% , 75% , 86% ) in 45 hrs. In pH=4 polyurethane azo was released slower than basic condition over 45 hrs. at 37 C, and the percentage of drug release was follow sequence (49% , 76% , 72% , 49% , 68% , 60% , 66% , 77% , 70% , 66% , 60%).The release rate of Benzocaine increased with increasing pH (i.e. , 7.8?4).

دراسات ثرموداينميكية وحركية لفعالية مركبات متعدد الفينولات الطبيعية للوقاية من التسمم بالرصاص == Thermodynamic And Kinetic Studies On The Effectiveness of Nutritional Origin Poly Phenols In Lead Poisoning Protection

اسم المؤلف: نجدت رضا حميد علي الخفاجي
اسم المشرف: الهام مجيد الرفيعي
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء
الدرجة: ماجستير
الجامعة: جامعة بغداد
اللغة: الانكليزية
مكان الجامعة: بغداد
الصفحات الاولى:
المستخلص: يتضمن البحث تحضير مركبات حلقية غير متجانسة جديدة ( خماسية , سداسية وسباعية )ودراسة الفعالية الحيوية لها.المرحلة الاولى : تتضمن مفاعلة بنزين ثنائي الامين مع ثنائي كبريتيد الكاربون في الايثانول المطلق للحصول على المركب [1] ليتفاعل مع ( حامض الماليك , حام | This research involves synthesis of new heterocyclic compounds(five , six , and seven - membered rings) and study their biological activity First Part : The o - phenylenediamine was condensed with carbon disulfide in abs. ethanol to yield compound [1] which reacted with(maleic acid and oxalic acid ) and presence of phosphorus oxychlorid to yield compounds [2,3].Second Part : The phthalic anhydride was condensed with glycine in aceton to give compound [4] which reacted with o - phenylenediamine in presence of phosphorus oxychlorid to give compounds [5] and with o - phenylenediamine in abs. ethanol to give compound [6] which reacted with maleic acid in presence of phosphorus oxychlorid to give compound [7]. Third Part : Thiosemicarbizide was condensed with carbon disulfide in abs. ethanol and presence of sodium carbonate to result compound [8] which reacted with different sugars (ribose , xylose and arabinose) in abs. ethanol and presence of glacial acetic acid to give new Schiff bases derivatives [9 - 11] respectively. The resulting imine derivatives were reacted with ( salicylic acid , 2 - mercaptobenzoic acid and glycine) to give compounds [12 - 14] respectively.Fourth Part : Study of biological activity of some synthesized compounds

دراسات كيمياء الكم لمركبات الروثينيوم العضوية الفلزية == Quantum Chemical Studies of Ruthenium Organometallic Compounds

اسم المؤلف: دريد توفيق عريبي الكنبي
اسم المشرف: محسن عبود محسن العبادي | حسين جاسم محمد
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء
الدرجة: دكتوراه
اللغة: الانكليزية
مكان الجامعة: النجف
الصفحات الاولى:
المستخلص: There are a wide variety of polyphenolic compounds named flavonids. These are extensively distributed in plants, and they are considered to be dietary antioxidants. They occur naturally in broad range of vegetables, fruits, and primarily recognized as the pigments.Many flavonoids have a metallic ion complexation capacity. The study of this capacity is important because it can be used in producing nutritional supplements, medicine, and heavy metal detoxification.Chelation therapy is the use of chelating agents (complexing agents) to detoxify poisonous metal such as mercury, arsenic, and lead by converting them to chemically inert form that can be excreted without further interaction with the body.Lead is considered as one of the most hazards and cumulative environmental pollutants that affect all biological system through exposure from air, water and food sources. It is toxic heavy metals which are known to induce a broad range of physiological, biochemical and behavioral dysfunction in humans. Because of its perverseness in the environment, lead poisoning still remains an important health problem.The polarographic measurements were carried out using differential pulse polarography (DPP), at hanging mercury drop electrode (HMDE) at the optimal conditions for flavonoids which were 1M HCl for Quercetin, Rutin, and Hespertin and 0.01M NaOH for chrysin as a supporting electrolyte.A well - defined two electron reversible reduction and diffusion controlled one wave for these flavonoide were observed, a linear relationship between concentration and diffusion current (id) was obtained with the value of correlation coefficient (r2) near to one, this obey Ilkovic equation. The values of n; the number of electrons transferred in the reduction process were obtained from the slop of the straight line corresponding to E vs. log i/id - i.Addition of flavonoides to a solution of Pb (II) ion, show the appearance of a new peak in a more negative potential than Pb (II) peak, with the gradual decrease in id of Pb (II) ion which suggests the complex formation between them.The stoichiometry and the stability constant of Pb (II) complex with flavonoids were calculated by Lingane equation; a plot of ?Ep vs. log [L] give a straight line, the slope of the line allows the determination of the coordination number (p), and the stability constant were determined from the intercept, the stoichiometry of these complexes were (1 : 1) with a stability constant of : Pb - Quercetine (5.5*107) ? Pb - Rutine (1.3*107) ? Pb - Hespertine (4*106) ? Pb - Chrysin (5.4*104)These measurements also includes the determination of the kinetic parameter of the electrode reaction (Kth, ?n) and the thermodynamic parameters such as ?H, ?G, and ?S.The spectrophotometric measurements were carried out in 50% methanol/water for Quercetin and Rutin, 30% methanol/water for Hespertin and in phosphate buffer of pH - 7 for Chrysin.The electronic spectrum of free flavonoides in methanol solution was mainly characterized by an important absorption band at ? 370 nm (band I) and a second one located at ? 256 nm (band II). Upon addition of lead (II) to the flavonoids solution significant changes are observed in the electronic spectra, a bathochromic shift in band (I) to the extent of ? 40 nm and a shift in band (II) to the extent of ? 7 nm, the change in ?max and the change in the intensities of the bands were due to the coordination between flavonoids molecules and Pb (II) ion.The stoichiometry of the formed complexes were investigated by the method of continuous variation and it were found (1 : 1), the stability constant were calculated also and were found to be in the order of ? 105 to 106.Thermodynamic parameters and kinetic studies were also determined which indicates a second order interaction between lead (II) and these flavonoides.Spectroscopic measurements for (EDTA) Complexation with lead (II) were carried out in order to compare its stability constant with that obtained for flavonoides complexes, due to its application in the treatment of metal poisoning.Stability constant of (EDTA) with Pb (II) complex were in the order of 108 which is much more efficient than flavonoides.

تاثير الصفائح النانوية على الخواص الفيزيائية والكهربائية لبعض المركبات البلورية السائلة == Effect of Nanosheets On The Physical And Electrical Properties of Some Liquid Crystalline Compounds

اسم المؤلف: الاء فاضل سليمان داود
اسم المشرف: عصام عبد الكريم عبد اللطيف | عمار هاني الدجيلي
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء
الدرجة: ماجستير
الجامعة: جامعة بغداد
اللغة: الانكليزية
مكان الجامعة: بغداد
الصفحات الاولى:
المستخلص: هذه الاطروحة تمثل سلسلة من دراسات الكم من خلال التركيب الالكتروني للانظمة العضوية الفلزية. تتضمن نتائج الفصول خلاصة عمل تعود لكيمياء الروثينيوم (الفصل الثاني) واستخدام النظريات لتساعدنا على التشخيص التركيبي من خلال اجهزة الطيف الحاسوبية (الفصل الثالث والر | This thesis presents a series of quantum chemical studies into the electronic structure of organometallic systems. All of the results chapters are self - contained, summarising work related to Ruthenium chemistry (Chapter 2) and the use of theory to aid structural identification through computation of spectroscopic parameters (Chapters 3 and 4). Chapter 5 relates to distinct work done concerning to the Topological Analysis of the Electron Density in the dihydried Triruthenium Cluster, but the focus on the question of dihydried triruthenium motif represents a close link to the material covered in Chapters 3 and 4. In Chapter 2, Density Functional Theory (DFT) is used to probe the structures of triruthenium clusters Ru3(CO)12. The researcher shed light on the equilibrium geometries and the best function (PBE1PBE) and basis set (SDD Ru/ SVP on (C, O)) can be used. On the basis of that, the global minimum found for Ru3(CO)12 is an unbridged (1D3) structure. In Chapter 3, DFT with PBE1PBE functional and (SDD Ru/ IGLOIII, TZVP P, H/ SVP on (C, O)) basis sets have been used to identify structures of species observed in hydrogenation reactions of alkynes using catalysts based on Ru3 clusters. The identification of the hydride intermediates observed by NMR spectroscopy is ambiguous, and is generally based only on 1H NMR and JP - H coupling constants for hydrides attached to the ruthenium metal centres. Our calculations propose that the experimentally observed species A and B do not contain the Ru3(? - H)(H) motif, as proposed by Duckett group but have Ru3(? - H)2. In Chapter 4, these studies were extended to the analogous dihydride triruthenium monodentate and bidentate phosphines. By computing energies, 1H chemical shifts, we propose that the experimentally observed species A1 and B1 do not contain the Ru(µ - H)(H) motif, as proposed by Duckett and co - workers, but rather the dibridging Ru(µ - H)2 structures common to A2 and B2. In addition, the results confirm that our methodology is able to model the environment of a terminal hydride correctly.Finally, Chapter 5 describes the Quantum Aim (QTAIM) topological analysis of the electron density in the Picolyl N - Heterocyclic Carbene Triruthenium cluster [Ru3(? - H)2(?3 - ?3C2,NHCpyCH2ImMe)(CO)8] (3 - methylimidazol - 2 - ylidene). However, this cluster has been chosen since, firstly, has Ru3(? - H)2 motif similar to triruthenium core proposed in chapters 3 and 4 , secondly, this particular cluster contains one hydride - unbridged and two hydride bridged Ru - Ru edges and a face - capping ligands with different types of Ru - C and Ru - N bonds , this allowing interesting comparisons between the topological properties of related but different atom - atom interactions, within the same molecule.

دراسة بعض القياسات الكيموحياتية والمناعية في مرض الفصام واضطرابات الاكتئاب الشديد في مدينة النجف الاشرف == Study of Somebiochemical And Immunological Parameters In Schizophrenia And Major Depressive Disorders In Najaf Alashraf Province

اسم المؤلف: دعاء عبد الزهرة محمد علي الرماحي
اسم المشرف: حسين كاظم الحكيم
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء
الدرجة: ماجستير
اللغة: الانكليزية
مكان الجامعة: النجف
الصفحات الاولى:
المستخلص: شملت هذه الدراسة (56) عينة لادرار وامصال دم المرضى المصابين باورام البروستات ومقارنتها مع (62) عينة من الاصحاء وكانت اعمارهم تتراوح (40 - 80) سنة.ولقد اظهرت الدراسة النتائج الاتية : 1 - تم قياس نشاط انزيم اللاكتيت ديهايدروجنيز (LDH) في ادرار وامصال دم ا | This study was performed on (56) patients with prostatic tumors , in addition (62) apparently healthy subjects with ages ranged (40 - 80) years were investigated as a control group.This study showed the following results : 1 - Total serum protein in prostatic tumor patients showed a significant decrease in comparison to healthy subjects. While urinary protein and creatinine showed a significant increase. 2 - Patients with prostatic tumors showed a highly significant increase (P< 0.05) in serum and urine Lactate dehydrogenase (LDH) activity compared to healthy subjects. 3 - A significant increased in activity of acid phosphatase (ACP) and prostatic acid phosphatae (PAP) was shown in serum of prostatic tumor patients compared to apparently healthy subjects.4 - The results revealed a positive correlation of age with (LDH) activity in patients urine and with (PAP) activity in patients serum in addition there was a positive correlation of (LDH) activity in patients urine with (PAP) activity in patients serum. 5 - LDH isoenzymes were isolated and partially purified from patients urine , by using gel filtration (Sephadex G - 150) and ion - exchange, chromatography (DEAE - Cellulose A - 50) with pH gradient.6 - Kinetic Studies of (LDH) isoenzyme were carried out , which included the effect of different concentrations of substrates (Sodium pyruvate and NADH) , pH and temperate. The Km values of isoenzym (LDH1) were 2.6 , 51.7 for sodium pyruvate and NADH respectively (by Lineweaver - Burk piot) and 2.57 , 50 (by Hans - Woolf plot) and the optimum pH was 7 , optimum temperature was 50 C0. 7 - The isoenzyme (LDH1) obeyed Arrhenius equation and its (Ea) and (Q10) constants were determined
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