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

Author name: نبراس مظفر جميل

Supervisor name: جمبد هرمز توما | ضحى فاروق حسين

General topic: Chemistry

Specific topic: Physical Chemistry

Degree: Master

University: University of Baghdad - College Of Science - Chemistry Department

Language: English

University location: Baghdad

First pages:

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

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

Author name: محمد كاظم حمود

Supervisor name: عصام محمد علي شاكر الهاشمي

General topic: Chemistry

Specific topic: Chemistry

Degree: Master

University: University of Baghdad - College Of Science - Chemistry Department

Language: English

University location: Baghdad

First pages:

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

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

Author name: عمر اياد ياسين القيسي

Supervisor name: نغم شاكر تركي العوادي

General topic: Chemistry

Specific topic: Chemistry

Degree: Doctorate

University: University of Baghdad - College Of Science - Chemistry Department

Language: English

University location: Baghdad

First pages:

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

Author name: خالدة عبيد سماوي

Supervisor name: رحاب ماجد كبة

General topic: Chemistry

Specific topic: Analytical Chemistry

Degree: Master

University: University of Baghdad - College Of Science - Chemistry Department

Language: English

University location: Baghdad

First pages:

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

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

Author name: مالك حسين علي العلوش العامري

Supervisor name: نغم شاكر تركي العوادي

General topic: Chemistry

Specific topic: Physical Chemistry

Degree: Doctorate

University: University of Baghdad - College Of Science - Chemistry Department

Language: English

University location: Baghdad

First pages:

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

تحضير ودراسة مشتقات 2 - امينو - 5 - ثايول - 4,3,1 - ثايادايازول الجديدة == Study And Synthesis of New 2 - Amino - 5 - Thiol - 1,3,4 - Thiadiazole Derivatives

Author name: هبه مشتاق احمد علي البدري

Supervisor name: محمد مهدي صالح الدليمي

General topic: Chemistry

Specific topic: Analytical Chemistry

Degree: Master

University: University of Baghdad - College Of Science - Chemistry Department

Language: Arabic

University location: Baghdad

First pages:

Abstract: The project conducted in this research work was carried out from October 2013 to May 2014 which leads to this thesis. It full's into five chapters. All these chapters cover up the survey, the practical part of preparing,manufacturing and testing many designs that have been adopted during this research work, and the results were subjected into various mathematic and data treatment.Chapter One : discuses the light (first part) absorption process and describes FIA in general (second part), it is classification and fundamentally involved ideas , the uses and applications of FIA. Chapter one also reviews the use of Ceric sulfate (third part) as a reagent definition, properties, uses and the applications. This chapter ends with the aim of the project.Chapter Two : In this chapter a complete description of the chemicals, their preparations and, using them throughout this project. This chapter also describes the use of flow system with all it is components (i.e. peristaltic pump, connection tubes, junction(Y - junction), six ports injection valve, reaction coil, and measuring readout system).Chapter Three : consists of three parts. The first part describes the design of Ayah 3SBGRx3 - 3D solar cell CFIA microphotometer. The idea of the use with the application of new flow injection microphotometer was build up to measure the responses. Flow injection microphotometer was made based on the use of a solar silicon cells as a detectors, and LEDs as an irradiation sources.The second part deals with calculation of dilution factor. This study was carried out to evaluate the change in concentration at each location of the designed manifold system via the chasse of an air bubble.The third part deals with the analysis carried out in this research work.Three different phenolic compounds (Pyrocatechol, Resorcinol, and Pyrogallol) were subjected by Ceric sulfate as oxidizing agent. A comprehensive detailed study was carried out using Ayah 3SBGRx3 - 3D solar cell CFIA microphotometer, the linear range, limit of detection (L.O.D) and percentage relative standard deviation for repeatability were 5 - 40 mMol.L - 1 , 36.63 ng/sample and < 1.5% successively for Pyrocatechol, and 5 - 40 mMol.L - 1, 17.17 ng/sample, and < 0.7% respectively for Resorcinol. While 5 - 40 mMol.L - 1, 41.61 ng/sample, and < 2 % for Pyrogallol. The method was applied successfully for determination of the mentioned phenolic compounds in pure samples. A comparison was made between the newly developed method and the classical method (UV - Vis spectrophotometry) at wave length 492, 481, and 438 nm for Pyrocatechol, Resorcinol and pyrogallol espectively of analysis using the standard additions method via the use of aired t - test. The obtained results was treated mathematically, it was noticed hat there was no significant difference between two different methods for analysis of three different organic compounds; in addition to no significant difference in the contribution of the Pyrocatechol, Resorcinol and pyrogallol to the oxidation reaction path, at 95% confidence level.Chapter Four : deals with the analysis of two different drugs (first part : Amiloride, and second part Ciprofloxacin) carried out in this research work using Ceric sulfate as a oxidizing agent. A comprehensive detailed study was carried out by Ayah 3SBGRx3 - 3D solar cell CFIA microphotometer, the linear range, limit of detection (L.O.D) and percentage relative standard deviation for repeatability were 0.0005 - 10 mMol.L - 1, 9.471 ng/sample, and < 1.3% successively for Amiloride. 0.05 - 12 mMol.L - 1, 0.300 ?g/sample, and < 0.6%, for Ciprofloxacin. The method was applied successfully for determination of mentioned drugs in pharmaceuticals formulation. A comparison (forAmiloride ) was made between the newly developed method and the classical method (UV - Vis spectrophotometry at wave length 540nm) of analysis using the standard additions method via the use of paired t - test. It showed that there was no significant difference between the quoted value of each individual company with calculated t - value at 95% confidence interval from developed method, in addition to comparison between two methods and calculate tvalue, it was noticed that there was no significant differences between two methods at 99% but a significant difference at 95% confidence level. A comparison (for Ciprofloxacin) was made between the newly developed method and the classical method (UV - Vis spectrophotometry) at wave length 551nm of analysis using the standard additions method via the use of paired t - test. It showed that there was no significant difference between the quoted values of each individual company with calculated t - value at 95% confidence interval from developed method, in addition to comparison between two methods and calculate t - value, it was noticed that there was no significant difference between two methods at 95%.Chapter Five : This chapter concludes few interesting points based on the obtained results throughout this research work, such as Conclusions and future prospect, Published work, and references.

دراسة فيزيائية لتشخيص سطح البوكسايت والبوكسايت المعدل لامتزاز مادة التتراسيكلين عليهما عند درجات حرارة مختلفة == Physical Study of Bauxite And Modified Bauxite Surfaces Identification For Tetracycline Adsorption On Them At Different Temperatures

Author name: اسراء محمد راضي

Supervisor name: تقي الدين عبد الهادي حمدان

General topic: Chemistry

Specific topic: Chemistry

Degree: Master

University: University of Baghdad - College Of Science - Chemistry Department

Language: Arabic

University location: Baghdad

First pages:

Abstract: تضمن البحث تحضير وتشخيص استرات وبوليمرات مختلفة جديدة عن طريق تحضير مركبات الكيلية اوروماتية حاملة لمجاميع الهيدروكسيل عن طريق مفاعلة الكليسيرول مع (الريسورسينول , الكاتيكول , الهايدروكوينون ) بشكل منفصل.تم اجراء دراسة نظرية لنواتج الالكلة وبعض نواتج ال | This research includes the synthesis and Identification of new esters and polymers via new alkyl Aromatic containing hydroxyl groups. These compounds was prepared by reacting of glycerol with (resorcinol, catechol, hydroquinone) separately.A theoretical study For the products of alkylation and Polymers was conducted and compared with results.This Work includes the following : - first step : - Alkylation of cyclic compounds (resorcinol, catechol, hydroquinone) with glycerol to produce.2 - (2,4 - dihydroxyphenyl)propane - 1,2,3triol (H1) 2 - (2,5 - dihydroxyphenyl)propane - 1,2,3triol (H2) 2 - (3,4 - dihydroxyphenyl)propane - 1,2,3triol (H3)The resulting compounds were Identified by different techniques (FT - infrared spectra IR, NMR spectrum magnetic (1H - NMR, 13C - NMR) and Elemental analysis (CHN).Some physical properties of these compounds were studied.Step Two : - This step in clndes the preparation of ester compounds (Es1 - Es6) via reacting (H1, H2, H3) with Dicarboxylic Acid (malonic, Succinic) The resulting compounds were identified by different techniques physical properties of these compounds were studied Step Three : - Compounds (H1,H2,H3)were polymerized to produce new polymers (p1 - p9) via reacting with anhydride (maleic , phallic and succinic) by melting reaction (200 - 250) C.These Polymers were studied and Identified by different chniqnes including (FT - infrared spectrum, DSC, DLS, and studying solubility in different organic solvents, and measuring the percentage of swelling.Step Four : - The theoretical simulation of alkylation reaction of compounds (resorcinol, hydroquinone and catechol) with glycerol in existence of silicate aluminum were condncted. The transitional situation of these reactants and estimated energy values that leads to the suggestion interactive pathways, where studied. The prepared compounds (H1, H2, H3) were found haning a low value of total energy ( - 390.240 , - 390.232, - 390.251kCal \ mol), respectively, The study also these compounds possass less ? gab values (1.515,1.23, 0.68ev) respectively which was calculated density function calculations of DFT (minimal - STO - 3G).The comparison between the theoretical and obtained values of these compounds were conducted.The theoretical simulation of polymerization reaction (H1, H2, H3) to produce the polymers (p1,p4,p7)were done.The third is the most possible be cause it has the lowest values of total energy( - 126.625, - 126.491 , - 125.814 kCal\mol), respectively, and also has the lowest ?gab values (8.31,7.03.7.088ev).Polymers (p1,p4,p7) are theoretical produced by ring closure reaction and reaction and the possible energy values of these reactants are ( - 222.444, - 222.443, - 190288.29 kCal \ mol) calculated by semi - empirical calculations PM3.in conclusion, these polymers are formed through condensation reaction but not cyclic closure reaction.

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

Author name: سحر ثامر عداي

Supervisor name: عبد الامير مطلك فنجان

General topic: Chemistry

Specific topic: Analytical Chemistry

Degree: Master

University: University of Baghdad - College Of Science - Chemistry Department

Language: English

University location: Baghdad

First pages:

Abstract: 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. -

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

Author name: حيدر عبد الكريم يوسف

Supervisor name: خلود عبد صالح السعدي

General topic: Chemistry

Specific topic: Physical Chemistry

Degree: Master

University: University of Baghdad - College Of Science - Chemistry Department

Language: English

University location: Baghdad

First pages:

Abstract: 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.

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

Author name: نجدت رضا حميد علي الخفاجي

Supervisor name: الهام مجيد الرفيعي

General topic: Chemistry

Specific topic: Chemistry

Degree: Master

University: University of Baghdad - College Of Science - Chemistry Department

Language: English

University location: Baghdad

First pages:

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

Author name: الاء فاضل سليمان داود

Supervisor name: عصام عبد الكريم عبد اللطيف | عمار هاني الدجيلي

General topic: Chemistry

Specific topic: Chemistry

Degree: Master

University: University of Baghdad - College Of Science - Chemistry Department

Language: English

University location: Baghdad

First pages:

Abstract: 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.

تعيين بعض المضادات الحيويه بطرائق الامتصاص الذري وكروماتوغرافيا السائل ذات الاداء العالي والمطيافيه الجزيئيه عن طريق تكوين معقدات مع ايونات الذهب والزئبق == Atomic Absorption, Hplc And Spectrophotometric Determination Of Some Antibiotics In Pharmaceutical Preparations Via Complexes Formation With Au (Iii) And Hg (Ii) Ions

Author name: عباس شبيب حسن الكاظمي

Supervisor name: احلام جميل عبد الغني | هادي حسن جاسم

General topic: Chemistry

Specific topic: Analytical Chemistry

Degree: Doctorate

University: University of Baghdad - College Of Science - Chemistry Department

Language: English

University location: Baghdad

First pages:

التقدير الاني شبه المؤتمت الفوتوميتري والتعكريه لايون الاوكسونيوم من رانتج تبادل الايوني عبر استخدام مصفوفة خطيه لتكرار رباعي لخمسه مصادر تشعيع وبخمسه متحسسات شمسية بتقنيه الحقن الجرياني المستمر == Semiautomated On - Line Photometric And Turbidimetric Determination Of Oxonium Ion Via Ion Exchange Resin Through The Use Of Linear Array AYAH 5SX4 - ST - 5D - Solar CFI Analyzer

Author name: حسين فارس عبد الرزاق خضير الجبوري

Supervisor name: عصام محمد علي شاكر الهاشمي

General topic: Chemistry

Specific topic: Analytical Chemistry

Degree: Master

University: University of Baghdad - College Of Science - Chemistry Department

Language: English

University location: Baghdad

First pages:

دراسة بعض الدلائل الحيويه للخلل الوظيفي لبطانة الاوعيه الدمويه وبعض الحركيات الخلويه في المرضى العراقيين المشخصين حديثا بالسكري من النمط الثاني == Study Of Some Endothelial Dysfunction Biomarkers And Other Cytokines In Newly Diagnosed Iraqi Patients WithType 2 Diabetes Mellitus

Author name: هالة باهر حمادي

Supervisor name: شذى عبد الودود عبد الرحمن

General topic: Chemistry

Specific topic: Biochemistry

Degree: Master

University: University of Baghdad - College Of Science - Chemistry Department

Language: English

University location: Baghdad

First pages:

الملوثات البيئية في نهر الفرات - تقدير وازالة ودراسة ثرموداينميكية وحركية == Environmental Pollutants In Euphrates River - Determination ,Removal And Thermodynamic - Kinetic Studies

Author name: محمد تركي خثي الركابي

Supervisor name: بشرى بشير قاسم | نعيمة احمد حكمت

General topic: Chemistry

Specific topic: Chemistry

Degree: Doctorate

University: University of Baghdad - College Of Science - Chemistry Department

Language: English

University location: Baghdad

First pages:

تحضير ، تشخيص والفعالية البايولوجية لمعقدات بعض الايونات الفلزية المشتقة من4،3،1 - ثايادايازول الجديدة == Synthesis, Characterization and Biological Activity of Some Metal Ion Complexes of New 1,3,4 - Thiadiazole Derivatives

Author name: حيدر عبيد جامل

Supervisor name: نجاة جواد العبيدي

General topic: Chemistry

Specific topic: Inorganic Chemistry

Degree: Doctorate

University: University of Baghdad - College Of Science - Chemistry Department

Language: English

University location: Baghdad

First pages:

دراسة تكمميه للتفكك الحراري للمركبات العطرية متعددة الحلقات بتواجد العوامل المساعدة وبدونها == quantum chemistry Study of Thermal Decomposition of Polycyclic Aromatic Hydrocarbons With and Without Catalysts

Author name: قحطان عدنان یوسف

Supervisor name: مثنى عبد الجبار شنشل

General topic: Chemistry

Specific topic: Chemistry

Degree: Doctorate

University: University of Baghdad - College Of Science - Chemistry Department

Language: English

University location: Baghdad

First pages:

تطوير نظام التحليل بالحقن الجرياني للتقدير الطيفي للهيدروكوينون في المادة النقية والمستحضرات الصيدلانية == development of flow injection analysis system for spectrophotometric determination of hydroquinone in pure and pharmaceutical preparations

Author name: همسة شاكر عميش

Supervisor name: بشرى بشير قاسم

General topic: Chemistry

Specific topic: Analytical Chemistry

Degree: Master

University: University of Baghdad - College Of Science - Chemistry Department

Language: English

University location: Baghdad

First pages:

تحضير وتشخيص مشتقات جديدة لحلقات غير متجانسة من 1, 8 - حامض النفثاليك اللامائي ودراسة تطبيقاتها كعوامل مضادة للمايكروبات == Synthesis and Characterization of New Heterocyclic Derivatives from 1,8 - Naphthalic Anhydride and Studying Their Applications as Antimicrobial Agents

Author name: اياد كريم خان

Supervisor name: محمد رفعت احمد | سعاد محمد حسين

General topic: Chemistry

Specific topic: Organic Chemistry

Degree: Doctorate

University: University of Baghdad - College Of Science - Chemistry Department

Language: English

University location: Baghdad

First pages:

تخـلـــــيق محســــــنات الزيـــــــوت == Synthesis of Lubricant’s Additives

Author name: زينب عبد الزهرة خضير المصري

Supervisor name: محمد رفعت احمد | عبد الحليم عبد الكريم محمد

General topic: Chemistry

Specific topic: Organic Chemistry

Degree: Doctorate

University: University of Baghdad - College Of Science - Chemistry Department

Language: English

University location: Baghdad

First pages:

دراسة ارتباط بعض العناصر مع حامض الاسكوربيك باستخدام البولاروغرافي النبضي التفاضلي == Studies of the Binding between Elements and Ascorbic Acid Using Differential Pulse Polarography

Author name: محمد عبد الخالق حسين

Supervisor name: الهام مجيد الرفيعي

General topic: Chemistry

Specific topic: Physical Chemistry

Degree: Master

University: University of Baghdad - College Of Science - Chemistry Department

Language: English

University location: Baghdad

First pages:

تحضير وتشخيص ودراسة الفعالية البكتيرية لبكرات Pr(III) وNd(III) وDy(III) مع المركبات التاجية == Synthesis, Characterization and Antibacterial Activities of Pr (III), Nd (III) and Dy (III) Picrates with Crown Compounds

Author name: مصطفى قحطان سمين

Supervisor name: باسم ابراهيم مهدي العبدلي | محمد حسين عباس العامري

General topic: Chemistry

Specific topic: Inorganic Chemistry

Degree: Master

University: University of Baghdad - College Of Science - Chemistry Department

Language: English

University location: Baghdad

First pages:

تحضير بعض المشتقات من معوضات - 2 مركبتوبنزوثايازول ودراسة فعالية البايلوجية لها == Synthesis of some derivatives from substituted 2 - mercaptobenzothiazole, and study their biological activity

Author name: عذراء حكمت احمد حسن الجميلي

Supervisor name: محمد رفعت احمد

General topic: Chemistry

Specific topic: Chemistry

Degree: Master

University: University of Baghdad - College Of Science - Chemistry Department

Language: English

University location: Baghdad

First pages:

تحضير وتشخيص بعض المعوضات الجديدة ل 2 - ميركبتو - 3 - فنيل - 4(3H) - كوينزولينون وتقدير الفعالية البايولوجية لها == Synthesis and characterization of some new substituted 2 - mercapto - 3 - phenyl - 4(3H) - quinazolinone and evaluation of their biological activity

Author name: محمد غانم عباس

Supervisor name: سعاد محمد حسين الماجدي

General topic: Chemistry

Specific topic: Organic Chemistry

Degree: Master

University: University of Baghdad - College Of Science - Chemistry Department

Language: English

University location: Baghdad

First pages:

تصنيع ودراسة كفاءة الخلايا الشمسية ذات الصبغات باستخدام مواد نانوية DSSCs المتحسس == Fabrication and Study of the efficiency of Dye Sensitive Solar Cells DSSCs using nanomaterials

Author name: نور عبد الله حسن

Supervisor name: عبد الكريم محمد علي جبر السامرائي

General topic: Chemistry

Specific topic: Chemistry

Degree: Master

University: University of Baghdad - College Of Science - Chemistry Department

Language: English

University location: Baghdad

First pages: