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تحضير مركبات 1و 2و 4 ترايزول وتطبيقاتها على البكيريا - المتقلبة الرائعة المنتجة لليوريز == Synthesis of 1,2,4 - Triazol Compounds and Their Applications on Urease Producing Proteus Miribilis Bacteria

اسم المؤلف: زهراء عبد العزيز تركي الطائي
اسم المشرف: سلمان علي احمد
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء
الدرجة: ماجستير
اللغة: الانكليزية
مكان الجامعة: بغداد
الصفحات الاولى:
المستخلص: The current study involves preparation a number of 1,2,4 - Triazol derivatives by the reaction of 4 - amino - 5 - phenyl - 4H - 1,2,4 - triazole - 3 - thiol (A) with different aromatic aldehydes to form the Schiff bases (B, C, D and E). In addition preparation of different complexes (A1, A2, B1 and B2) were prepared from the reaction of A and B Ligands with Ni (II) and Cu (II) metals. All the prepared Compounds and their metal complexes were characterized using : Micro elemental analysis, Fourier transform infrared spectroscopy (FTIR), UV - visible spectroscopy, 1H NMR and conductivity measurements. According to the spectral data of the complexes a tetrahedral geometry was suggested for Ni(II) complexes, Cu(II) complexes exhibit a square planer structure.The antibacterial activities of the above prepared compounds against Proteus mirabilis were estimated using well - diffusion method.The inhibition effect of the prepared compounds on urease activity were studied. Maximum velocity (Vmax), Inhibition force constant (Ki), Michael constant (Km) and percentage of inhibition (i %) values of the enzyme were calculated using line weaver Burk equation. The results showed promising inhibition effect on urease activity. All the prepared compounds showed competitive inhibition since the value maximum velocity (Vmax) was remain constant and Michael constant (Km) increased, except compound (C) which showed non - competitive inhibition since the value Vmax was decreased and Km remain constant.Among all compounds studied in this work, the complexes were exhibit the strongest inhibition effect on urease enzyme, where the Complex (B2) has inhibition force constant (Ki = 0.017 M) and the percentage of inhibition (% i = 97.6).

الاكسدة الضوئية التحفيزية للفينول الاحمر على دقائق ثنائي اوكسيد التيتانيوم النانوبلوري == Photocatalytic Oxidation of Phenol Red on Nanocrystalline TiO2 Particles

اسم المؤلف: احمـــد عبد الله حسين
اسم المشرف: هـــلال شهاب وهاب
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء
الدرجة: ماجستير
اللغة: الانكليزية
مكان الجامعة: بغداد
الصفحات الاولى:
المستخلص: انجزت هذه الدراسة البحثية للتفكك الضوئي للصبغة العضوية الفينول الاحمر كنموذج للملوثات الفينولية وذلك باستخدام ثنائي اوكسيد التيتانيوم النانوي المحضر مختبريا وفي وسط مائي.استخدمت تقنيات تشخيصية عديدة مثل المجهر الالكتروني الماسح وحيود الاشعة السينية ومطياف الانتشار الانعكاسي والمجهر الالكتروني التنافذي وطيف رامان لدراسة شكل السطح والحجم الحبيبي والمساحة السطحية وطاقة الفجوة لثنائي اوكسيد التيتانيوم النانوي المحضر. وجد ان متوسط حجم الحبيبة هو 9, 9.95, 11 نانو باستخدام مجهر الالكتروني الماسح, مطياف الانتشار الانعكاسي وحيود الاشعة السينية على التوالي.وتم كذلك احتساب المساحة السطحية وحجم المسامات باستخدام منظومةBET حيث كانت النتائج للمساحة السطحية 48 م2\غم وحجم المسامات 3.7 نانو مما يؤكد كون ثنائي اوكسيد التيتانيوم النانوي ذات مسامات صغيرة. ((mesoporos.تمت دراسة تاثير العديد من المتغيرات التجريبية على عملية التفكك الضوئي مثل كمية ثنائي اوكسيد التيتانيوم النانوي, حامضية المحلول, التركيز الابتدائي للفينول الاحمر, شدة مصدر التشعيع, الحجم الحبيبي لثنائي اوكسيد التيتانيوم النانوي واضافة المؤكسدات.ثبتت الظروف التجريبية المثلى لعملية التفكك الضوئي لصبغة الفينول الاحمر عند الدالة الحامضية 4.5 والتركيز الابتدائي للفينول الاحمر مساويا الى 10.3 ملغم\لتر وكمية المحفز ثنائي اوكسيد التيتانيوم مساويا الى 500 ملغم\لتر, حيث تم الحصول على ثابت سرعة التفاعل بقيمة 0.01052 لكل دقيقة وعمر نصف العملية 1.098 ساعة عند الظروف المثلى.اوضحت دراسة حركية التفكك الضوئي للفينول الاحمر بان العملية من الدرجة الاولى. اضافة على ذلك تم احتساب الناتج الكمي لعملية التفكك الضوئي حيث تساوي 0.1.اظهرت النتائج بان عملية الاكسدة الضوئية للفينول الاحمر بواسطة ثنائي اوكسيد التيتانيوم النانوي تفضل كيمياء الهيدروكسيل لانه عند اضافة بيروكسيد الهايدروجين حفزت عملية التفكك وتحسنت وتاكيدا على هذا الكلام عند اضافة ايزو بروبانول ثبطت عملية تفكك الفينول الاحمر لانه يعتبر من اهم المثبطات لجذر الهيدروكسيل. وتم كذلك احتساب الدوال الثرموديناميكية الاساسية لعملية التفكك الضوئي للفينول الاحمر مثل طاقة التنشيط وطاقة جبس والانثالبي والانتروبي. | In the current research study, the photocatalytic (photodecolorization) degradation of the phenolic model ecotoxicant, phenol red dye has been investigated using laboratory synthesized anatase TiO2 nanoparticles in aqueous solution. The prepared nano TiO2 powder has been characterized using several advanced instruments including, Scanning Electron Microscopy (SEM), Energy Dispersive X - Ray Spectroscopy (EDXS), X - Ray Diffraction (XRD), Diffused Reflectance UV - VIS spectrometry (DUR - UV - VIS), Transmission Electron Microscopy (TEM), Brunauer - Emmett - Teller (BET) theory and Raman Spectrometry. Average particle size of 9, 9.95 and 11 nm was found using TEM, XRD and SEM, respectively. The surface area and pore size were also measured employing BET nitrogen adsorption apparatus which resulted in surface area of 48 m2/g and a pore size of 3.7 nm, which indicates the mesoporosity of the prepared nano anatase TiO2 particles. The impacts of several operational parameters for the photodegradation process were explored encompassing, TiO2 loading, solution pH, initial phenol red concentration, UV light source intensity, photocatalyst particle size and added oxidants. Under optimum experimental conditions, 4.5 solution pH, 500 mg/l TiO2 loading and 2.9 x 10 - 5 mol /l (10.3 mg/l) phenol red, the value of the apparent rate constant, kapp , obtained has been 0.01052 min - 1 (17.53x 10 - 5 sec - 1) and the half life of the process, accordingly is equal to 1.098 hours.The kinetic of phenol red photobleaching has also been studied and it was found that it follows the pseudo first order pattern regardless of reaction conditions. Furthermore, the apparent quantum yield for the photodecolorization process was also determined and found to be approximately 0.1.Results reveal that the photooxidation process of phenol red follows hydroxyl type chemistry in which the addition of hydrogen peroxide has contributed massively in the promotion of the process rate and yield, and further, suppressed to a great extent by addition of isopropanol as .OH radical scavenger.The main process activation thermodynamic parameters namely, Gibbs energy, enthalpy and entropy were also deduced following the computation of photolysis activation energy employing the well known Arrhenius relation.

تحري قنص غاز ثاني اوكسيد الكربون بواسطة السوائل الايونية عند درجة حرارة الغرفة == INVESTIGATION OF CO2 GAS CAPTURING BY ROOM TEMPERATURE IONIC LIQUIDS

اسم المؤلف: ايفون اكرم عبد الجبار
اسم المشرف: هادي محمد علي عبود
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء
الدرجة: ماجستير
اللغة: الانكليزية
مكان الجامعة: بغداد
الصفحات الاولى:
المستخلص: Some ionic liquids were investigated for abilities to capture CO2 alone or with added some catalysts at room temperature under atmospheric pressure to increase the capacity of ionic liquids to capture carbon dioxide gas some catalysts were found effective such asHydrated aluminum nitrate/urea ionic liquid with added CaO and NaOH , monoethanolamine and ammonium chloride were added to hydrated ammonium aluminum sulphate/urea ionic liquid did not show in FTIR sign of either physical or chemical absorption of CO2 . The addition of NaOHaq to hydrated ammonium aluminum sulphate/urea ionic liquid showed a new vibration absorption at 1666 cm - 1 and changing the frequencies in the amine group vibrational bands above 3000 cm - 1 . While the distilled water when added to the ionic liquid hydrated ammonium aluminum sulphate/urea showed a broaden effect on the high vibrational bands above 2500 cm - 1 and the carbonyl group vibrational band at 1662 cm - 1 was not effected .Calcium oxide was added to hydrated ammonium aluminum sulphate/urea showed a new splitting vibration absorption bands at 1666 cm - 1 ,1618 cm - 1 .Aluminum chloride - urea ionic liquid very effective to capture carbon dioxide gas without add any catalysts showed a chemical absorption of CO2 1655 cm - 1 while aluminum chloride - acetamide showed weaker or no ability to capture CO2 .

تحضير معقدات لاعضوية مشتقة من 4 - امين - 5 - بيريدايل 4,2,1 ترايزول - 3 - ثايول ودراسة الثباتية الضوئية - 4H - لها لبوليمر البولي ستايرين == Synthesis of inorganic complexes derived from 4 - amino - 5 - (pyridyl) - 4H 1,2,4 triazole - 3 - thiol and study their photochemical stability with polystyrene

اسم المؤلف: رغد علي عبد الرسول حداد
اسم المشرف: عماد عبد الحسين يوسف السراج
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء
الدرجة: ماجستير
اللغة: الانكليزية
مكان الجامعة: بغداد
الصفحات الاولى:
المستخلص: Five transition metal complexes of Ni(II), Cu(II), Zn(II), Cd(II) and Sn(II) with {4 - amino - 5 - (pyridyl) - 4H - 1,2,4 - triazole - 3 - thiol}, as a ligand (L) has been prepared in alcoholic medium. These complexes are : 1. Bis(4 - amino - 5 - (pyridyl) - 4H - 1,2,4 - triazole - 3 - thiol) Nickel(II), Ni(L)2 .2. Bis(4 - amino - 5 - (pyridyl) - 4H - 1,2,4 - triazole - 3 - thiol) Cupper(II), Cu(L)2 .3. Bis(4 - amino - 5 - (pyridyl) - 4H - 1,2,4 - triazole - 3 - thiol) Zinc(II), Zn(L)2 .4. Bis(4 - amino - 5 - (pyridyl) - 4H - 1,2,4 - triazole - 3 - thiol) Cadmium(II), Cd(L)2 .5. Bis(4 - amino - 5 - (pyridyl) - 4H - 1,2,4 - triazole - 3 - thiol) Tin(II), Sn(L)2 .The ligand (L) and its metal complexes were characterized quantitatively and qualitatively by using : FTIR, UV - visible spectroscopy, 1H and 13C NMR, magnetic susceptibility and conductivity measurements. This ligand act as bidentate that coordinated to the metal ions through sulphur and nitrogen of amine group. According to the spectral data of the complexes a tetrahedral geometry was suggested for these complexes except Cu(II) complexes which exhibit a square structure.In this work the prepared complexes of 4 - amino - 5 - (pyridyl) - 4H 1,2,4 triazole - 3 - thiol were used to enhance the photostabilization of Polystyrene (PS).Polystyrene has been mixed with these complexes in chloroform solvent which containing concentration of complex 0.5 % by weight, which produced by the casting method from chloroform solvent. The photostabilization of polystyrene films were studied at room temperature under irradiation of light λ=365 nm wave length with intensity 20.6*10 - 9 Ein Dm - 3 S - 1 .The photostabilization activity of these compounds was determined by monitoring the carbonyl (ICO) and hydroxyl (IOH) indexes, weight loss method with irradiation time. It was found that the (ICO) and (IOH) indexes values increased with irradiation time and this increase depend on the type of additives. The surface morphology for these films was studied during irradiation time. The changes in viscosity average molecular weight of PS with irradiation time were also tracked (using chloroform as a solvent). The quantum yield of the chain scission (Φcs) of these complexes in PS films was also evaluated.The following trend is obtained for the photostabilization effect on PS films in presence of additives as shown below : Sn(L)2 , Cd(L)2 , Ni(L)2 , Zn(L)2 , Cu(L)2 Increasing the photostability According to the experimental results obtained, mechanisms were suggested, depending on the structure of the complexes

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.

التقديرات الطيفية للمركبات الاحادية والمتعددة للادوية == Spectrophotometric Determination For Single And Multi Components of Drugs

اسم المؤلف: مروه صباح يونس
اسم المشرف: خالدة حميد محمد السعيدي
الموضوع العام: علوم الكيمياء
السنة: 2014
الموضوع الدقيق: الكيمياء
الدرجة: ماجستير
اللغة: العربية
مكان الجامعة: بغداد
الصفحات الاولى:
المستخلص: يتضمن هذا البحث تحضير مشتقات جديدة لنوعين من قواعد شف هما نوع وكذلك [XI]a - d والبايارازولون [X]a - d ومشتقات البايارازول، [XIII]a - d و[XII]a - d ونوع جميعها تحتوي على وحدةالايزوكزولين او البيرمدين باستعمال الجالكون [VII]a - d الكوينولين - مادة اساسية. | The work involves synthesis of new two types from Schiff bases ([IV]a - f , [V]a - f and [XII]a - d, [XIII]a - d), pyrazoles[X]a - d, pyrazolones[XI]a - d and quinolones [VII]a - d derivatives containing isoxazoline or pyrimidine unit starting with chalcones. 4 - Bromoacetophenone was reacted with 4 - hydroxybenzaldehyde, 4 - hydroxyacetophenone was reacted with 4 - bromobenzaldehyde and 3 - Aminoacetophenone was reacted with 4 - bromobenzaldehyde or 4 - N,N - dimethyl aminobenzaldehyde in basic medium to give four chalcone compounds by Claisen - Schemidt reaction. The chalcons [I]a - d was reacted with hydroxylamine hydrochloride to form isoxazolines [II]a - d, while, the chalcones type [I]c,d was reacted with thiourea to give pyrimidine - 2 - thiones [III]a,b in basic medium. The pyrimidine - 2 - thiones [III]a,b and isoxazolines [II]c,d reacted with 4 - or 3 - substituted benzaldehyde and coumarin to form Schiff bases[IV]a - f [V]a - f and quinoline derivatives[VII]a - d, respectively. On the other hand, compounds[II]a,b or [V]b,f were reacted with ethylchloroacetate in basic medium to get new ester compounds[VIII]a - d.The condensation of new ester[VIII]a - dwith hydrazine hydrate led to produce new acid hydrazide [IX]a - d. The later compound refluxed with 4 - substituted benzaldehyde in ethanol to give Schiff bases( [XII]a - d and [XIII]a - d) ,while the reaction of these acid hydrazides [IX]a - d with acetyl acetone and ethyl aceto acetate led to form pyrazoles[X]a - d and pyrazolones[XI]a - d,respectively. The synthesized compounds were characterized by melting points, C.H.N. analysis, FTIR, Mass and 1HNMR spectroscopy(of some of them). Some of the synthesized compounds have been screened for their antibacterial activities using two types of bacteria; E. Coli and Staph. Aureus. All the examined compounds did not show any biological activity towards E. Coli but some of them show activity towards Staph. Aureus.This work can be summarized by the following schemes :