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حقائق واحصائيات


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الفروع العلمية


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طلبة الدراسات الاولية


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أطاريح الماجستير لفرع علوم وتكنولوجيا الليزر

Fabrication of Co3O4/ZnO/Si Nanostructures for Optoelectronic Applications

By:Ibtihaj Hadi Hammood    Supervised By:Prof. Dr. Azhar.I. Hassan    year:2023

Abstract

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This study aims to investigate the optoelectronic properties of Co3O4/ZnO/Si double heterojunctions. We investigated the effects of spray cycles and, consequently, the film thickness of Co3O4/ZnO/Si films prepared by Chemical Spray Pyrolysis CSP, while at 350° the substrate temperature was kept constant on the morphological, structural, optical and electrical properties of the films. Investigation the relationship between film thickness, crystallinity, surface morphology, phase stability, topography, and optical properties can provide valuable information for the development of Co3O4/ZnO/Si based devices for optoelectronic applications. The synthesis and characterization of highly oriented nanostructured ZnO thin films by CSP with using an aqueous zinc chloride solution were investigated. The effects of film thickness on the morphological, structural, optical and electrical properties of the films were investigated. X-ray diffraction analysis revealed that all films exhibited a polycrystalline hexagonal wurtzite ZnO structure with a preferential orientation in the (002) direction. As the film thickness increased from 200 nm to approximately 390 nm, the crystallite size increased from 8.97 to about 15.54 nm. However, no significant change in the crystal lattice constant was observed. The stoichiometry of the as-deposited films was determined by energy dispersive x-ray spectroscopy (EDS). Additionally, atomic force microscopy (AFM) was utilized to measure the roughness RMS value, which demonstrated an improvement in surface roughness with increasing film thickness. The optical energy gap decreased from 3.1 eV to 2.8 eV with increasing film thickness. According to the results, the higher thickness films are superior to the thinner ones in terms of crystallinity quality and electrical properties. The nanostructured Co3O4 thin film was prepared on glass and silicon substrates by CSP using CoCl2 solution. The impacts of film thickness on the characteristics of the films were investigated. XRD results indicated that all films have a polycrystalline cubic phase structure with a preferential orientation in the (111) direction. As the film thickness increased, the crystallite size also increased, the crystallite size increased from 205 nm to about 439 nm, but no significant change in lattice constants were observed. The films developed two absorption edges, with the energy gap decreasing with increasing film thickness from 2.1 eV to 1.9 eV and from 1.49 eV to 1.47 eV. The Co3O4/ZnO/Si double heterojunctions were fabricated with different layer configurations on glass and silicon substrates. Morphological analysis reveals variations in nanorod orientation, packing density, and porosity with average grain sizes of about 100 nm. Based on the optical properties, triple energy bandgap regions were observed. ZnO shows an energy bandgap from 2.35 eV to 3.15 eV, while Co3O4 shows energy bandgaps from 1.85 eV to 2.23 eV and 1.35 eV to 1.5 eV. The responsivity measurements show that the Co3O4/ZnO/Si double heterojunction exhibits the highest responsivity over a wide range of wavelengths, with distinct peaks at 480 nm and 950 nm. This indicates that the photodetector is capable of detecting both visible and infrared light. These results provide valuable insights into the optimization of Co3O4/ZnO/Si double heterojunctions for broadband, high-performance photodetection applications.

Preparation and characterization of Gold Quantum Dots by laser ablation

By:Luma Talib Abdullah   Supervised By:Prof. Dr. Abdulrahman K. Ali & Prof. Dr. Alaa G. Hussein    year:2023

Abstract

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A two-step unique approach is used to create purified as well as ligand-free gold quantum dots as a novel kind of fluorescence material. Noble Au targets are submerged in benzene solvent to evaluate the impact of changes in laser energy as well as the impact of laser re-irradiation on Au quantum size. Three samples of gold quantum dots AuQDs are prepared by pulsed laser ablation in benzene solvent at pulse fluencies of 4, 8, and 12 J/cm2, which are referred to as F1, F2, and F3, respectively. In addition, Syntheses three samples of GQDs (S1, S2 and S3) are carried out by laser ablation and re-irradiation of Au target in Benzene. Nd:YAG laser was utilized in the current experimentation with laser energy density of about 12 J/cm2, a wavelength of 1064 nm with 1000 laser pulses (S1). Then, the wavelength of 532nm with two different pulses repetition of 1000 (S2) and 2000 pulses (S3) was utilized as re-irradiation to reduce size. The prepared AuQDs got defined using UV-Vis, HR-TEM, XRD, XPS, EDX, FTIR, Raman spectroscopy and Photoluminescence measurement. AuQDs that were synthesized have monocrystalline and cubic (FCC) structure, according to XRD patterns. It was found out that the direct optical energy gap of AuQDs is enhanced to 2.35 , 2.5 and 2.6 eV. The emission photoluminescence emission spectra is at roughly 481, 445, and 437 nm, for F1, F2, F3 samples, respectively. The quantum size was reduced to 3.5 nm for sample F3. This strategy has the ability to prepare pure AuQDs in one step .On the other hand, the UV-visible spectra for re-irradiated GQDs produced at three distinct samples S1, S2 and S3, reveal a UV peaks at 311 nm, 309 nm, and 307 nm, respectively. The optical energy gap values of GQDs were shown to be within the range of 2.5, 2.7 and 2.8 eV of samples S1, S2 and S3, respectively. The Photoluminescence emission spectra maximum peak heights were observed at about 445, 432, and 405 nm for the specimens S1, S2 plus S3, correspondingly. In contrast to the control specimen (S1), the data obtained demonstrate that the re-irradiated quantum dots in Benzene (S3) have blue shift and higher Photoluminescence and the sizes of quantum dots are less than 2 nm for S3. That results promising biosensor and bioimaging applications.

Synthesis and characterization of modified LiNbO3 films for laser detection

By:Rawan Bashar Fadhil    Supervised By:Prof. Dr. Evan T. Salim & Prof. Dr. Wafaa K. Khalef    year:2023

Abstract

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In this study, Lithium Niobate (LiNbO3) thin films have been successfully deposited on quartz substrates by chemical bath deposition method. The influence of different interaction time, and different deposition time were studied. The structural investigation confirmed that all LiNbO3 were hexagonal structure at (012) diffraction plane. The optical properties were conducted by UV-VIS showed an increased to 4 eV. The morphological properties showed a uniform, smooth and homogeneous structure, with a clear hexagonal structure. The grain size was reduced with increasing the interaction and deposition times. Electrical properties revealed that electrical resistivity (ρ) reached to a minimum value about (65 kΩ) for deposition time 25 min. The estimated figures of merit releaved that optimum deposition time was 15 min and stirred for 12 hrs. To demonstrate the effect of Ag nanoparticles incorporated on the LiNbO3 properties, the preparation of Ag decorated LiNbO3/Si and LiNbO3/Si heterojunction device was constructed. Different concentrations of Ag nanoparticles were synthesized and studied their structural, morphological optical and chemical properties. XRD confirmed the presence of LiNbO3 and Ag nanoparticles. FESEM showed that the Ag nanoparticles increased as Ag immersion time increased. The band gap decreased from (3.97 to 3.59 eV) as Ag immersion time increased. Photolumences spectra (PL) of Ag@ LiNbO3 films gave emission peaks at (358, 360, 363, 371 and 376) nm. Results of Raman spectrum showed that after decorated with Ag Nps the (950 cm-1 ) peaks shifted to higher intensity. The prepared device at an optimum condition of decoration has been used to prepare the heterojuction device. A clear enhancement has been achieved with the incorporation of Ag nanoparticle. The photo and dark currents with capacitance-voltage characteristics were investigated and analyzed. The ideality factor (n) was found to be enhanced and to about 2.6 for Ag@ LiNbO3/Si heterojunction device. The C-V characteristics demonstrated that the built-in potential (Vbi) was about 1.35 for Ag@ LiNbO3/Si. The photo detector showed a good stability and high; responsivity that reached to about (400, 790) nm in the UV and NIR region or pure and Ag@ LiNbO3/Si photo detector; respectively. Detectivity reached to about (400, 790) nm in the UV and NIR region for pure and Ag@ LiNbO3/Si photo detector; respectively.

Synthesis and Characterization of Modified Nb2O5 Nanostructure Using LPPLA Method

By:Tamara E. Abdulrahman   Supervised By: Prof. Dr. Evan T. Salim & Prof. Dr. Rana O. Mahdi    year:2023

Abstract

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This work presents a successful method for the preparation of Nb2O5 nanoparticles by employing the pulsed laser ablation in liquid (PLAL) method of a niobium metal in double deionized water. In this study, the effects of various laser parameters on the preparation of Nb2O5 nanoparticles were characterized extensively through the study of the optical, structural, morphological and chemical properties. Optimum conditions were selected after each parameter and analysis. The effect of laser fluence which ranged from 8.2 to 17.82 J/cm2 and resulted in the emergence of the orthorhombic T-Nb2O5 which was confirmed by XRD, FTIR and Raman spectroscopic analysis. The band gap dropped from 3.6 to 3.3 eV as the fluence went up. TEM and FESEM showed a spherical shaped and agglomerated particles with an average particles size range between 28 to 55 nm. Changing the number of laser pulses have led to the emergence of monoclinic H-Nb2O5 along with the orthorhombic T-Nb2O5 which was confirmed by XRD, FTIR and Raman spectroscopy. The average particles size ranged between 18 and 27 nm for TEM. While the effect of laser wavelengths, have resulted in the dominance of the monoclinic H-Nb2O5 phase over the orthorhombic T-Nb2O5. TEM and FESEM showed very small, well-defined spherical shapes with very high concentration with an average particle size 7 nm for TEM. Optical properties revealed that the band gap was about 3.4 eV. After studying the characteristics of the effect of each laser parameter on the fabrication of Nb2O5 nanoparticles, optimum conditions were selected and used for the fabrication of Au@Nb2O5 core shell nanoparticles. Different concentrations of Au nanoparticles were synthesized and their structural, morphological, chemical and optical characteristics were studied. XRD results confirmed the presence of Nb2O5 and Au confirming the formation of Au@Nb2O5 which was also confirmed by TEM results. The diameter of the core increased from 33.5 to 80.1 nm while the shell diameter changed from 5.5 to 8.05 nm with increasing the concentration of Au nanoparticles. Surface roughness found to be increase up to 68.76 nm. The absorbance spectrum revealed a red shifted as the concentration of Au nanoparticles increased, while the band gap decreased from 3.3 to 2.7 eV.

Formation and characterization of AuAg nano configurations by laser ablation/ion reduction process

By:Ridha Abdulateef Hussein    Supervised By:Prof. Dr. Alwan M.Alwan & Assist. Prof.Dr. Allaa A. Jabbar    year:2023

Abstract

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In this work, a novel approach is proposed to synthesis Raman active AgNPs and Ag@AuNPs/pre-etched Si substrate by laser assisted thermal penetration process. Four different types of superficial silver nanoparticles /pre-etched Si structures were prepared by dipping process of surface textured Si substrate in 5×10 -3 M AgNO3 (Silver nitrate) solution and different dipping times (1,4,5, and10 min). The irradiation process of Nd:YAG laser wavelength of 532 nm,600mJ energy, and 300 pulse repetition rate was employed to insert the silver nanoparticles (AgNPs) deeply inside the silicon (Si) surface. The morphological and optical properties before and after the irradiation process, show a significant value in the Specific Surface Area (S.S.A), where 72.04 m2 . g-1 was obtained for the silicon substrate of 5 min dipping time, also in this work, the deposited silver nanoparticles on a pre-etched Si substrate were modified by laser irradiation at fixed laser fluence. Different number of pulse have been employed to synthesize hybrid structure AgNPs/pre-etched Si substrate, by laser irradiation process. Four types of superficial hybrid structures were formed under fixed laser thermal of 600 mJ/cm2 with 250,300,350 and 400 pulses of laser, respectively. The results were analyezed and studied using Field Emission Scanning Electron Microscope (FE-SEM), X-Ray characteristics and optical properties as a function to number of pulses. The results showed a high dependence on the structural and optical of the hybrid structure in the laser irradiation process. The highest specific surface area of 53.008 m2 /gm at (111) plane was realized at 350 pulses. This is due to the small size (10.78 nm) of the silver nanoparticles, Finally, Ag@Au core-shell NPs/ Si (pre-etched silicon layer) were synthesised with various laser pulse repetition rates of 300,350,400,450 pulses, respectively. Also, the results were analyzed by using FE-SEM and XRD characteristics and optical properties as a function of different number of pulse. The results show extreme dependence on the structural and optical properties of Ag@Au core-shell NPs/(pre-etched silicon layer) chemical sensor on the laser irradiation process. The highest specific surface area was 41.318 m2 /gm realized at 400 pulses. The Raman and SERS spectra of the constructed hybrid chemical sensor were carried out using Rhodamine 6G concentrations ranging from (10-7 to 10-13M for core@shell NPs and 10-6 to 10- 12M for AgNPs) on pre-etched silicon .The maximum value of enhancement factor (EF) for the SERS with core@shell configured for 400 pulses was approximately 4.22×109 .While, was around 6.37×108 for the silver nanoparticles /pre-etched Si structures at 5min of dipping time.

Preparation of PbS quantum dots by laser ablation in liquid

By:Zahraa Wathiq Abdulhassan   Supervised By:Assist. prof. Dr. Mohammed S. Mohammed & Prof. Dr. Muslim F. Jawad    year:2023

Abstract

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Pulsed laser ablation, a simple, inexpensive, and useful approach, was used in this study to prepare PbS quantum dots.Two parts were used to investigate synthesis PbS QDs .First targets are submerged in distilled benzene solvent to evaluate the impact of changes in laser fluence on PbS quantum size. As a consequence of the current work, it is the first time that the synthesis of the lead sulfide nanoparticles as well as the impact of benzene on their characteristics have been described. also, the present work showed that it is possible to obtain PbS QDs by laser ablation in benzene. Three samples of PbS quantum dots are prepared by pulsed laser ablation in benzene solvent and distilled waterat at different parameter , laser fluencies of 5, 6.5, and 8 J/cm2 , with fixed number of pulses 600 hits. A PbS target was irradiated by (1064 nm) with Nd :Yag laser. Laser works in 10 ns laser pulse width and 1 Hz repetition rate. The characteristics of the as-prepared PbS QDs are confirmed by UV−vis, transmittance electron microscopy, X-ray diffraction, photoelectron spectroscopy and photoluminescence (PL). PbS X-ray diffracting pattern is produced via laser ablating inside benzene (5 J/cm2 ,600 pulses), according to XRD patterns where PbS QDs has cubical (fcc) crystal structuring with six main peaks , with 2θ values 21° ,27.7°, 30.4° ,43.6° ,51.1° and 53.6 ° correspond to the crystalline planes (021),(111),(200),(220),(311) and (222) respectively. The Photoluminescence emitting spectra is categorized via the existence of a single severe peak corresponding to the PbS at ( 5,8 J/cm2 ) at 600 pulses. According to the fluorescent peaks of the produced, the calculated band gaps had been situated at 2.5 and 2.6 eV. The quantum size was reduced to 7 to 4.5 nm in benzene and 45 – 19 in water. The UV-visible spectra for PbS QDs peaks around 321 nm , 312 and to 311 nm wave were observed for PbS nanoparticles prepared with 8 J/cm2 ,6.5 J/cm2 ,5 J/cm2 respectively. The results obtained point to the possibility for employing PbS QDs in a variety of (future research) applications, including drug administration, diagnostics, and as anticancer factors, ultimately increasing the tumor-killing effects of anticancer drugs.

Spectroscopic Analysis of Metal Plasma Parameters Produced by Pulsed Laser

By:Hajir Mohammed Fadhil   Supervised By:Assist. Prof. Dr. Hyder A. Salih & Assist. Prof. Dr. Khaleel I. Hassoon    year:2022

Abstract

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In this work, (Silver, Aluminium, and Copper) bulk and nanoparticles plasmas were produced by pulsed Nd: YAG laser with 1064 nm wavelength in air (pulse duration of 9 ns and 6 Hz repetition rate) and at different pulse laser energies (400, 500, 600, 700) mJ. Optical emission spectrometer (OES) was used to diagnose the obtained plasma in air. Optical emission measurements show that the laser energy has a strong and important impact on the intensity of emission lines as the intensity of the spectral lines increases with increasing of laser energy. The effect of laser pulse energy has been studied on the plasma parameters (such as electron temperature (????????), electron number density (ne), Debye length (????????) and plasma frequency (????????)). The results shows, the electron temperature, the electron density and plasma frequency were increased with increasing pulse laser energy from 400 to 700 mJ for the targets used. While the Debye length is decreases with increasing laser energy. It has been observed that the value of the intensity of the spectral lines and electron temperature (????????), electron number density (ne), plasma frequency (????????) for nanomaterial greater than bulk material and the Debye length (????????) of nanomaterial are less than the bulk material at the same laser energy. The Energy Dispersive X-ray Spectroscopy provide a qualitative analysis and a quantitative analysis of samples. where show results the peak heights the formation of Ag at 3keV, Al at 1.5 keV and Cu at 0.9 keV. The synthetic study was carried out by means of X-ray diffraction of the elements of (Ag, Al and Cu) bulk and NPs and the results showed that all samples have a face cube crystalline for powder (Ag, Al and Cu). The reflectivity of the samples was investigated. It was noticed that the reflectivity of the materials decreases in the UV-VIS spectrum of the elements of (Ag, Al and Cu) bulk and NPs. Scanning electron microscopy (SEM) used for studying the shapes and sizes for samples. The average particle size of the samples is in the range (41- 81) nm and it was also clarified by the photographic analysis.

An investigation of Porous Silicon as a Vacuum Senso

By:Noor Salman Dawood   Supervised By:Assist. Prof. Dr. Mehdi Qasim Zayer & Prof. Dr. Muslim Fadel Jawad    year:2022

Abstract

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Porous silicon (Psi) structure has been prepared in this project via a Photo Electrochemical (PEC) anodization process. n-type silicon wafers of resistivity (10Ω.cm) in hydrofluoric acid (HF) of 24% concentration at various etching duration (15, 30, 45, 60, 75, 90 min), and current density (20mA/cm2 ). Irradiation was accomplished by diode laser beam with a power density of 15W/cm2 and a wavelength of 810 nm. X-ray diffracted (XRD), Field Emission Scanning Electron Microscopy (FE-SEM), Atomic Force Microscopy (AFM), and Gravimetric technique was employed to assess the material characteristics. FE-SEM images demonstrated that the pore width and depth of the porous layer increased with the rising of etching time, but the thickness of the walls between the pores decreased with increasing etching time. With different etching conditions, the pore shape has changed from cylindrical to spherical and rectangular. The X-ray Diffraction results revealed that the structural aspect of Psi layers stays crystalline, as also the peak of Psi structures broadened when etching time increase from 30 to75 min. The size of the nano-crystalline decreases from (16.84 to 1.96 nm). The AFM image showed changing the surface roughness values and root means a square increased from (5.666-24.94nm) and (5.960- 30.61nm), respectively with increasing etching time. The measured values of the porosity of Psi layer using the gravimetric method showed an increase (33 – 87%) with increasing etching time. When the etching time has increased from (30-75 min), the peak of the (PL) spectra exhibit a blue shift from 639.8 nm to 625 nm in the emission spectra of the as-prepared sample. In this study, electrical properties of the constructed Psi layer were investigated using a which electrical approach that represents resistance characteristics at room temperature. The obtained values of resistance increased from 25 to 73 KΩ with increasing etching time and porosity when measured at pressure atmosphere, while was reduced with the increase of vacuum ranges. Because decreases of the air molecules allow the electron charge to pass through the inside pore with increased vacuum value to 10-6 mbar. The response of the Psi enhanced with increasing vacuum and etching time.

Structural and Optoelectronic characterization of Graphene-ZnO photodetector

By:Zahraa Mohamed Talib   Supervised By:Prof. Dr. Jehan Admon Saimon & prof. Dr. Azhar Inad Hassan    year:2022

Abstract

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Graphene-ZnO nanohybrid thin films were prepared by spray pyrolysis technique at 350 °C. Different Graphene sheet concentrations of (0.1, 0.2, 0.3, 0.4, and 0.5 wt. %) were used to deposit these films on quartz and silicon substrates. The monohybrid films' structural, morphological, optical, and electrical properties have been investigated. According to the XRD analysis, the structural characteristics show that the deposited films have hexagonal wurtzite for ZnO polycrystalline structure. The crystallite size, dislocation density and micro strain have indicated that the addition of graphene strongly affects the microstructure of zinc oxide films. It was found that the micro strain and dislocation density increased with graphene content rising in the ZnO matrix, while the crystallite size was decreased. The surface morphological analysis of the ZnO-Graphene films reveals that the Graphene content effectively modifies the morphologies and grain growth of the ZnO microstructure. AFM images showed how the grains are distributed and arranged on the surfaces by studying the effect of graphene concentration on the film's properties by measuring the degree of roughness (RMS) and grain size. Furthermore, FESEM images showed several morphological features on the films deposited under various graphene content. When the film surface isn’t covered with graphene, it offers high packing hexagonal grains and narrow grain size distribution. But, when the film surface is covered with a high graphene content of (0.5 wt. %), graphene nanoplates nested with zinc oxide grains were observed. In addition, the optical properties of deposited films exhibited that the maximum transmission value was found in the ZnO film. In contrast, this value will reduce with increased graphene concentration. The absorption coefficient with wavelength decreased with increased graphene concentration. The maximum energy gap was found in the pure ZnO films, which is (3.4 eV); its decreases to (2.7) eV as the concentration of Graphene increases to (0.5 wt. %). The electrical examination had the highest value at (0.5 wt. %) graphene’s concentration; this means that the nanostructure of graphene improves the electrical conductivity of ZnO. The photocurrent was increased gradually with increasing the light intensity at negative bias voltage. No photocurrent saturation with increasing light intensity was observed (good linearity characteristics). The higher current was at a graphene concentration of (0.5 wt. %) with a power intensity of 100 mW. According to the capacitive-voltage characteristics of the films, the capacitance density is reduced with growing reverse voltage due to the extension of the depletion region with increasing reverse voltage. The internal construction effort (Vbi) value range from 0.65 V to 0.3 V for ZnO/Si with (0.5 wt. %) graphene. The maximum spectral responsivity of the photodetector was noticed for G-ZnO synthesized at (0.5 wt. %) Graphene.

Nanoplasmonic Sensing Using Multilayers Nanostructure

By:Abbas A. Thajeel    Supervised By:Assist. Prof. Dr. Mohammed A. Ibrahem & Prof. Dr. Duha S. Ahmad    year:2022

Abstract

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The future of the plasmonic devices is heavily challenged by the nanoconstruction schemes of metals which often requires rather fast, lowcost, and high-throughput fabrication techniques. Laser annealing is considered to be an unrivaled tool for surface manipulation of thin metallic films, especially with functional plasmonic devices of pre-determined morphology. The work in this thesis can be divided into two main sections: The first section studied the Nanoplasmonic sensing, based on the plasmonic resonance absorption of thin, irregularly-shaped Au nanostructures film, with a starting thickness of about 15 nm (±3 nm) sputtered on a quartz substrate, to monitor the CeO2 NPs (with an average diameter of 50 nm) film refractive index variations at different film thicknesses (90 nm, 146 nm, 172 nm, and 196 nm). Increasing the film thickness of solution-processed CeO2 NPs film, with layer-by-layer deposition on top of Au nanostructures, shows a significant redshift in the plasmonic resonance absorption of the plasmonic metal, from 580 nm to 611 nm. Such increase is related to the change in the building microstructure of the semiconductor’s film which is reflected in changing its refractive index. Plasmonic surface refractive index sensitivity of 437.5 nm/RIU with FOM of 4.2 has been recorded. The second section utilized a commercial CW CO2 laser, the wavelength of 10.6 µm and optimal power of 15W, to the surface reconstruction of thin Au films, with an initial film thickness of 15 nm (±3 nm) sputtered on quartz substrates, as plasmonic sensing platforms. The effect of two main laser parameters by AFM images on the Au film morphology has been explored namely; power density The best result was scored when 11.7 W/cm2 Average size range 110 nm FWHM 42 nm and scanning speed when 0.5 mm/sec Average size range 77 nm FWHM 44 nm has been recorded. Thermal annealing of Au nanostructured films by the electrical furnace is also been studied, at 600 oC Average size range of 116 nm FWHM 41 nm has been recorded. UV-Visible (UV-Vis) spectroscopy characterization measurements are utilized to monitor the plasmonic-induced optical absorption changes with different experimental conditions. Surface annealed Au nanofilms were then be used as a plasmonic sensing substrate to detect the size and density variation of Ag NPs, fabricated by pulsed Nd: YAG laser ablation, with a pulse duration of 7 n sec, in DI water with a wavelength of 1064 nm and different laser energies, imbedded in a solution-processed thin semiconductor material (CeO2 NPs) to form a composite film. Our plasmonic sensing structure shows a remarkable detection of variable concentrations of Ag NPs reflected by a significant red-shift in the plasmonic resonance absorption of Au nanostructures with laser ablation energy at a fixed number of pulses of 50 (50 Hz). This sensor structure is versatile and can be utilized to sense and monitor a large variety of materials and chemicals.

Fabrication and Characteristics Study of Double Sided Porous Silicon for Gas Sensing

By:Duaa Hassan Alwan    Supervised By:Prof. Dr. Alwan Mohamed Alwan & Assist. Prof. Dr. Mehdi Qasim Zayer    year:2022

Abstract

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In this work, an efficient vacuum sensor was fabricated using a double-sided porous silicon layers (Ds-Psi). An n-type Si wafer was used to create the Ds-Psi samples using laser-assisted etching (LAE) technique. The etching process was carried out under different etching times (20, 40, 60, 80) min by 630 nm wavelength diode laser with 20 mA/cm2 current density and 100 mW/cm2 laser power density. The morphological, structural and optical characteristics of Ds-Psi layers were studied using field emission scanning electron microscopy (FE-SEM) images, Xray diffraction patterns (XRD), and the photoluminescence (PL) spectra. The obtained results, present that the surface morphology of the layer consists of mud-like structure with ultra-pores structures, The X-ray Diffraction illustrated that the Psi has a wider diffraction pattern compared with the bulk silicon and this due to the existence of silicon nano crystallites with nano regime, and the PL emission showed a specific peak centered at about (500-520) nm with decrease in the peak toward a blue shift with increasing etching time. The electrical properties of the fabricated sensors, of one side, parallel connections of Ds-Psi, and series connections of Ds-Psi sensors were investigated by analyzing the electrical resistance of porous layer at different vacuum pressures. The value of vacuum was sensed by changing the electrical resistance value of DsPsi after removing gas particles from the porous structures, thus the resistance gradually decreased after the vacuum value exceeded 10-5 mbar. The Ds-Psi sensor with series connections showed higher sensitivity than the other sensors

Manufacturing Nano-Metal Oxide as Polluting Sensor for a Clean Environment

By:Ahmed Zaid Abdullah    Supervised By: Dr. Adawyia Jumaa Hayder & Dr. Alaa Abdul Jabbar Hussain    year: 2022

Abstract

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Photo electrochemical etching (PECE) technique was used to prepare porous silicon (PSi) samples from n-type silicon with (111) orientation. The first group of samples was prepared at different etching current density (8, 12, 16 and 20) mA/cm2 with fixed etching time and laser intensity, while the second group was prepared at different laser intensity (10, 15, 20 and 25) mA/cm2 with fixed etching time and current density. The porous silicon surface was modified by deposition of pure titanium and titanium doping with silver using pulsed laser deposition technique (PLD) to improve the gas sensing performance of these modified surfaces. Different silver concentrations of (0.5, 1.5, and 2.5) % were used. Morphological and structural features of the TiO2/PSi & TiO2:Ag/PSi nanostructures were investigated using scanning electron microscopy (SEM), Energy Dispersive Spectroscopy (EDS), and X-ray diffraction (XRD) analysis. The XRD measurements demonstrated a strong peaks which were attributed to the porous silicon PSi, silver element has been attributed to the cubic silver nanoparticles and the detected characteristic peaks of TiO2 which led to the formation of tetragonal TiO2 (Rutile) nanoparticles. SEM images revealed that PSi surface morphology were pore-like structures. An increase in the pore diameter was observed with the increase of the current density and the intensity of the laser illumination in the PECE process. Similarly, SEM images and EDS analysis of TiO2/PSi and TiO2:Ag/PSi nanostructures confirmed the presence of TiO2 and Ag elements with different proportions, sizes, and shapes. The nanoparticles of TiO2 and TiO2:Ag structures were distributed in the form of single particles and in agglomerations around and inside the pores. The sensitivity properties of gas sensors for TiO2/PSi and TiO2:Ag/PSi nanostructures were studied. It showed improvements in sensitivity, response time, and recovery time of porous silicon as gas sensors. This is because of the high porosity, large surface area, and the small size of the TiO2:Ag structure which acted as a captures of gas molecules.The prepared sensors sensing features, such as sensitivity, response, and recovery time, have been implemented for two gases which were reducing gas (H2S with 50 ppm concentration), and an oxidizing gas (NO2 at concentration of 125 ppm). The test was performed with different operation temperatures ranging from room temperature to 200°C. Finally, the results of this study, particularly those related to gas-sensing characteristics, demonstrated that PSi enhanced by the deposition of TiO2 pure and Ag doped TiO2 provided an efficient gas-sensing developed to operate at room temperature in a relatively simple technique and inexpensive methods, and that the highest sensitivity appeared to NO2 gas at room temperature, which amounted to 93%

Superparamagnetic Iron Oxide Nanoparticle Synthesis Using Pulsed Laser Ablation in Liquid Method for Biomedical Applications

By:Farah Shamil Abdulwahid   Supervised By:Prof. Dr. Adawiya J. Haider & Assist Prof. Dr. Sharafaldin Al-Musawi    year:2022

Abstract

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Cancer is the most common disease in the world and it has many traditional treatment methods. The targeted therapy method by nanocarriers is the more prefer and not harmful method for human. In this study, nanocrystalline Fe3O4 NPs were synthesized by using pulsed laser ablation in liquid. Using different Nd: YAG laser wavelengths (1064, 532 nm) and fluencies (10, 32 J/cm2 ) for each wavelength. The optical properties and the structure of the created nanoparticles were studied. These nanoparticles were characterized via employing UV-Visible absorption spectra, Fourier transforms infrared (FT-IR), Dynamic light scattering (DLS), Scanning electron microscope (SEM), atomic force microscopy and X-ray diffraction (XRD). Also in this work, Folate (FA) grafted dextran (DEX) coated superparamagnetic iron oxide nanoparticles (SPIONs) were prepared and used as a nanocarrier for Ellipticine (ET) delivery in cervical cancer in vitro. Fluorescence microscopy was utilized to evaluate the cell’s internalization ability. The suitable impact of a therapeutic dose of (SPION@DEX-ET-FA) for both cancer and healthy cell lines was estimated by using MTT assay (3-(4,5-dimethylthiazol-2-yl)- 2,5-diphenyltetrazolium bromide). The flowcytometry assay and real time PCR studies were carried out to evaluate the induction of apoptosis and changes in Bax and Bcl-2 gene expression in Hela cervical cancer cells. The obtained results exhibited the producing of Fe3O4 nanoparticles having a narrow size distribution with an average size of 24±6.13 nm. The findings of the formulated SPION@DEX-ET-FA were spherical particles with average size, polydispersity, and zeta potential of 101±15.02 nm, 0.075, and, -33.8 mV, respectively. In addition, these nanoparticles (NPs) manifested a high efficiency of drug encapsulation (~73 percent). The nanoparticles demonstrated a continuous release of ET at 37°C in acidic pH. Apoptosis was calculated by Annexin-V/Propidium flow cytometry after the cancer cells treatment with SPION@DEX-ET-FA. The potential of SPION@DEX-ET-FA to upregulate Bax/Bcl-2 ratio apoptotic genes in the Hela cells was also confirmed by real-time polymerase chain reaction results. The florescence microscopy confirmed that SPION@DEX-ET-FA was able to effectively penetrate the cancer cells. The results exhibited that SPION@DEX-ETFA retained antitumor activity, and no adverse effects for healthy cells were foun

Study the structural and optical properties of perovskite nanostructure thin films prepared on npsi substrate

By:Suha Ghanim Ali    Supervised By: Assist. Prof. Dr. Fatima I. Sultan & Assist. prof. Dr. Mohammed S.Mohammed    year: 2022

Abstract

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The current study aim is examining the (PbI2, CH3NH3I) that was deposited on porous silicon (n-Psi), Porous-silicon nanostructure has beenprepared in this scheme via a Photo Electrochemical (PEC) iodization method. N-type silicon-wafer of resistivity (10Ω.cm) in hydrofluoric acid (HF) of 24% attention at fixed etching time (8 min), and changing the current density (10, 14 and 18) mA/cm2 . A laser light with a strength of 20W/cm2 and a wavelength of 645 nm was used to incinerate the surface. Using two consecutive depositing processes, successful preparation of perovskite thin films was achieved. The initial stage was making thin sheets of lead iodide (PbI2) fabricated by thermal evaporation technique. PbI2 films of 200 nm thickness were deposit on a cleaned glass and Psi substrate by the thermal evaporation method at a 10-5 Torr vacuum using a high vacuum coating apparatus (Edwards type E306A). The distance linking the source and the substrate was roughly 18 cm inside the vacuum chamber, where a molybdenum boat was utilized to transport PbI2 powder. The second step was transforming PbI2 thin films. The three-dimensional perovskite was made by dissolving 4.2227 g of MAI in 20 ml of 2-propanol and then the solution was stored in a dry box under N2 pressure. Dipping the PbI2 films was done by using MAI sol (methylammonium iodide-2-propanol) and thereafter turned black, showing the composition of the CH3NH3PbI3 surface layer, with a dipping period of 10 minutes for each sample. The resulting perovskite films CH3NH3PbI3 were black in color and regular. The structural properties of the prepared thin films studied with X-ray diffraction, The PbI2.X-ray diffraction showed that the PbI2 film has a hexagonal polycrystalline structure, while the CH3NH3PbI3 thin films, show a tetragonal-phase lead iodide perovskite. FE-SEM images showed porous silicone in Photo-electrochemical etching, the pore distribution is irregular and the pore refers to the increased surface area of the silicon. SEM images of pbI2 film showed that particles became scattered and resembled gravel in size. The estimated optical energy value of thin films of PbI2 was 3.3 eV. PbI2 film has lower transmittance values at short wavelengths, but as the wavelength increased, the transmittance values gradually increased. The greatest transmittance value was 88%. From FTIR analysis, chemical bonds were determined between porous silicon and PbI2.

Preparation and Characterization of TiO2@MWCNTs by Laser Ablation in Water

By:Israa Fawzi Hasan    Supervised By: Prof. Dr. Aseel Abdulkreem Hadi & Prof. Dr. Khawla Salah Khashan    year: 2022

Abstract

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This study demonstrates the use of an Nd: YAG laser to generate of TiO2 NPs, and TiO2@MWCNTs nanocomposites. The first one was carried out by laser ablation of Ti target immersed in de-ionized water at different laser fluence, while the second one was achieved by irradiating of a mixture TiO2 colloidal and carbon nanotubes with different concentration ratios. Several investigations were done for specimen characterization. The FTIR results have successfully proven the formation of TiO2NPs and TiO2@MWCNTs nanocomposites. Raman spectra showed the phase crystalline of pure TiO2 NPs and TiO2@MWCNTs nanocomposites contain two main phases anatase and brookite. These results were also affirmed by XRD patterns. The FE-SEM images clearly showed that the TiO2NPs crystals with a cauliflower-like shape structure. While FE-SEM images of TiO2@MWCNTs nanocomposites showed high-quality coverage of the TiO2NPs along the MWCNTs with nest-like shape and with a minimal TiO2NPs agglomeration. TEM investigations demonstrated that the TiO2NPs have semispherical shapes with particle sizes in the range (2-75) nm. While for TiO2@MWCNTs nanocomposite, the TEM images revealed that there are two types of nanocomposites CNTs and TiO2NPs are present, the first type is the TiO2NPs that are attached to the walls of MWCNTs, and the second type is TiO2NPs were completely covered by graphene sheet and it is hardly to distinguish TiO2NPs. Optical properties showed that the TiO2 colloidal have a high absorptance at the UV region and an energy gap ranging from 3.85 to 3.4 eV depending on laser fluence. While the spectra of TiO2@MWCNTs nanocomposite showed extension to long wavelengths with bandgap energy ranging from 3.45 to 3.35 eV. The PL of TiO2 NPs showed a broad intense band in the UV-visible light range (∼350–550 nm) which decreased with increasing laser fluence. The PL results of TiO2@MWCNTs nanocomposites showed a quenching of titanium luminescence spectra. The zeta potential values were increase with the increase of the laser fluence of ablation, and the concentration ratio of MWCNTs, respectively. As a result of this research, the pulsed laser ablation in liquid is a suitable method to prepare nanomaterial structures with different shapes and sizes which makes it’s a promising candidate to apply in different applications.

SPECTROSCOPIC STUDY OF ZN,CU AND TIO2 PLASMA PRODUCED BY ND:YAG LASER AT 1064 NM

By:YASIR A. ALI   Supervised By: Dr. Raad A. Khamis    year: 2020

Abstract

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The laser induced breakdown spectroscopy (LIBS) is one of the most important analytical techniques , where a suitable energy laser is used to generate plasma from targets and the spectra emitted from it are analyzed by spectroscopy . In this study, a Nd:YAG laser with a wavelength of (1064 nm), a pulse duration of (9 ns) and energies of (500 - 600 - 700 - 800) miliJoule was used to generate the spectra of plasma from the materials (zinc, copper and titanium oxide) were observed in their nano and bulk states. The spectral study was conducted and monitored in the visible region with a range (300 - 750 nm) and under atmospheric pressure. The plasma parameters have been calculated, which are the temperature of the electrons (Te) and the density of electrons (ne) . From the results, the Debye length (λd) and the plasma frequency (Fp) were calculated . The plasma temperature (Te) was calculated using the Boltzmann plot method, and the electron density (ne) using the Stark broadening method . The results were that the intensity of the spectral lines (I) , the temperature (Te), the density of electrons (ne), and the plasma frequency (Fp) increase with the increase in the laser energy. the Debye length (λd) decreases with the increase in the laser energy. It has been observed that the value of intensity of the spectral lines (I) , the temperature of electrons (Te), the density of electrons (ne) and the plasma frequency (Fp) of nanomaterials are greater than that of bulk materials, and that the Debye length (λd) of nanomaterials is less than the bulk materials and at the same laser energy. The results of synthetic tests were included in the research which are the results of X-ray diffraction (XRD) and images of the electronic scanning microscope (SEM) for nano and bulk materials.

Synthesis of silver oxide micro and nanostructures for silicon based laser detectors

By:Muntadher T. Awayiz   Supervised By: Prof.Dr.Evan T.Salim    year: 2020

Abstract

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In this study, silver oxide (Ag₂O) .thin films have been successfully prepared on glass and silicon substrates employing chemical .bath .deposition (CBD) .technique. Different .concentrations of triethanolamine (Known as TEA) (C6H15NO3) (2.5, 5, 7.5, and 10( ml, and different reaction time (0.5, 1and 1.5) hr with different reaction temperature was (25, 50,75 and 100) Cº. Structural, optical, electrical .properties were studied to determine the optimum conditions of the deposited silver oxide film in order to prepare device for P and n-type silicon. . substrates. The X.R.D analysis shows that all that Ag₂O thin films are cubic. structure with preferred .orientation at (200). FESEM .image shown a .formation of uniform. and .homogeneous crystal .grains of Ag₂O thin films and , the grain size increased with increasing of TEA .concentration. The elements.. ratios of prepared. thin films have. been diagnostic by the (EDS) measurement which revealed the formation of a .stoichiometric. film at TEA 2.5 ml. The roughness. and average. grain. Size and .RMS of the silver .oxide found to be (1.46,3.49and1.7) nm at TEA 2.5 ml, respectively. From the optical properties the values of the .direct. energy band. gap. was estimated and found to range. from (1.65-2.29) eV concentrations of TEA. The properties. of the hetrojunction. device. indicated that device had a good. . rectification. The ideality. factor (n) found to be (2.6, 3.36) for p and n-type .silicon .substrates, respectively.. The C-V characteristics demonstrate that the builtin potential (Vbi) is (0.7) for A.g₂O/n-Si and (0.2) eV for Ag₂O/p-Si. The .detectivity. was estimated for the hetrojunction detector and found (5.5*109) cm. Hz1/2 .W-1 for Ag₂O /p-Si and (3.9*109) cm. Hz1/2 .W-1. for A.g₂O/n-Si.

Preparation and Characterization of AZO Nanoparticles by Laser Ablation in Water for Some Biomedical Applications

By:Sura Ali Hussain   Supervised By:Prof. Dr. Khawla Salah Khashan & Prof. Dr. Ghassan Mohammad Sulaiman    year: 2020

Abstract

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In this research, Zinc oxide nanoparticles have been synthesized by pulsed laser ablation (PLA) in deionized water (DIW) using different numbers of pulses. Then, it was doped with aluminum at different doping ratio using 1064 nm wavelength of NdYAG laser and constant fluence 15.48 J/cm2 . Fourier transform infrared spectroscopy (FTIR) confirmed the formation of ZnO NPs and the absorption peaks of AZO NPs. X-ray diffraction (XRD) measurement proved that the presence of the cubic structure of ZnO NPs and the formation of AZO NPs suspension. The UV-Vis absorption spectra of ZnO and AZO NPs have exhibited increasing the absorbance intensity with increasing the absorbance intensity with an increase in the number of laser pulses. While Photoluminescence (PL) analysis for ZnO and AZO NPs demonstrated two emission peaks, one of which is strong in the UV region, and the other is weak located in the visible region. Morphological properties have been examined by scanning electron microscope (SEM) and energy dispersive spectroscopy (EDs). SEM images for ZnO NPs showed that the shapes of nanoparticles change to nano-wires and small agglomerated spherical nanoparticles. And AZO SEM images showed that the shape is modified from nano-wire to spherical particles with a high particles agglomeration. EDS peaks spectrum showed that all the peaks were corresponded associated with the peaks of (Zn, O, and Al) atoms. Biomedical applications were antibacterial activity for ZnO and AZO NPs; they were carried out against two types of bacteria: (S.aureus) and (E.coli). Using two methods firstly, by liquid medium method, for pure ZnO NPs with concentration (66.6, 133.3, 200, 266.6, 333.3) ????g/ml and (0.2, 0.27, 0.33, 0.42) % doping ratio for AZO, for both NPs effectiveness against S. aureus more than E. coli, and increases with increasing doping ratio. Secondly, by agar solid medium this illustrated from (IZ) diameters, which showed the same the previous results obtained from liquid medium method. Antiparasite activity and Anti-breast cancer activity were measured by MTT assay and micrographic image to calculate the growth of inhibition rate with concentration for pure ZnO NPs was (66.6, 133.3, 266.6) ????g/ml and all concentration of AZO NPs. which indicated that the activity of both NPs was more effective on L. tropica than L. donovani. While anti-cancer activity reveals that AZO, NPs were more effective on breast cancer than pure ZnO NPs.

Study of structural and optical propareties of perovskite nanostructure thin films

By:Amani Khadhom Hussein   Supervised By:Assist. Prof. Dr. Mohmmed Salman Mohammed    year: 2020

Abstract

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In this work Perovskite thin films, were prepared successfully using two sequential deposition process. The first step was preparing lead iodide thin films (PbI₂) with spin coating technique on a glass substrate for (15s) and (1500 r.p.m). The second step was transforming PbI₂ thin films into perovskite thin films by dipping the PbI₂ samples in MAI solution in a glove box filled with N₂ gas for 15min then dipping it immediately in 2- propanol solution to rinse for (2s) and wait for the final thin films to dry. The structural properties of the prepared thin films studied with X-ray pattern measurements; PbI₂ thin films show a polycrystalline structure with hexagonal phase. While; the CH₃NH₃PbI₃ thin films, show a tetragonal phase and found that the PbI₂ is completely transformed into CH₃NH₃PbI₃ from observing the peaks of both thin films. the morphology of the thin films were studied using FESEM images and AFM spectroscopy, FESEM images shows PbI₂ thin films look inhomogeneous and dense, with a lot of pores, while the CH₃NH₃PbI₃ look like an island with high density and non-uniformed. While AFM microscopy for PbI₂ thin films shows, the value of RMS was (14.89 nm), while for MAPbI₃ thin films the RMS value was (34.27nm) The energy bandgap was calculating by the transmittance and absorbance measurements, for PbI₂ thin films the bandgap value was 2.45eV, while the perovskite was 1.65-1.80eV also by using diffused reflectance measurements, the band gap value found to be equal to the bandgap value from the optical measurements. By using FTIR measurements, the PbI₂ thin films observed completely transformed into perovskite, with different vibrations patterns for each resulted thin films. Raman spectroscopy shows that both resulted thin films have two vibrational modes, symmetric and asymmetric vibrational modes with different peaks for both materials.These measurements have been characterized on this work are suitable for solar cell applications.

Preparation and Characterization of Doped CoO Thin Film laser Detector

By:Sahar Ihssan Maki    Supervised By: Dr. Azhar Inad Hassan    year: 2017

Abstract

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In this study, Copper doped Cobalt Oxide (Cu:Co3O4) thin films have been successfully deposited on glass and silicon substrates by chemical spray pyrolysis (CSP) technique. Different concentrations of Cu (0, 1, 3, 5, 7, 9) % were used and the substrate temperature was (350 ±5 oC). Structural, Optical, Electrical and Optoelectronic properties of thin films have been investigated by using XRD, EDS, SEM, AFM, UV-Visible spectroscopy, R-T, Hall effect, I-V, C-V and Rλ measurements. The XRD analysis reflect that all films are cubic spinal structure and a polycrystalline in nature with preferred orientation was along (111) plane. The crystallite size of the samples was maximum (34,924nm) for the unopded Co3O4 thin film, and the minimum at concentration 5% which be (30.816nm). SEM shows that the surfaces of thin films affected with Cu doping and have semi- uniform homogenous structure. The element ratio and Cu concentrations of prepared thin films have been diagnostic by EDS measurement which clarify identification with the experimental ratio. Roughness, average grain size, RMS for Copper-Cobalt Oxide were varied with Cu concentration, the minimum values was at concentration 5% of Cu. The optical properties were measured by using transmission spectra in the wavelength (300- 1100) nm. The transmittance of all thin films increase slowly with wavelength at the range (300-750) nm, and then increased rapidly at higher wavelengths. The absorption coefficient changed with Cu, and the highest one was at ratio 7%. Two optical energy gap were investigated and they decreased with increasing doping concentration. The direct band gap values ranges between (1.4-2.06) eV, and the indirect band gab ranged between (1.32-1.92) eV. The extinction coefficient decreased as the wavelength increasing. It has been found that the electrical resistivity was decreased with increasing of Cu concentration. The activation energy decreased with increasing doping concentrations and ranging from (0.128-0.366) eV. Hall Effect measurement proved that all films were p-type. p- n heterojunction properties have been studied by I-V characteristic which indicated that the films have a good rectifying. The smallest value of ideality factor (n) at 7% and built-in potential (Vbi) were at ratio 9%. The peaks of responsivity, specific detectivity and quantum efficiency increased with increasing Cu concentration.

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أطاريح الماجستير لفرع الكيمياء التطبيقية

Synthesis and Characterization of New Pyrazole and Pyridine Derivatives as Anticorrosion for Alloy Metals

By: Jwan Ahmed Ibrahim    Supervised By: Assist.prof.Dr.Hiba Hayder Ibraheem & Assist.prof.Dr.Haithem Talib Hussein    year: 2024

Abstract

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Shiff base is very important class of compounds used in a large industrial scale for that reason many Schiff base comound have been synthesized in addition to the other compounds such as (chalcone, pyridine, pyrazole). 1- The first route (scheme 1) includes Preparation of ester compound [J1-J3] from the reaction of benzoic acid and substuted benzoic acid with absolute ethanol in the presence of sulforic acid and then Preparation of the compounds [J4-J6] from a mixture of ethyl benzoate [J1], ethyl-4-hydroxy benzoate [J2], ethyl-4-amino benzoate [J3] respectively in ethanol, hydrazine hydrate. The reaction of different compounds [J4-J6] with (indole-3 carboxyaldehyde) in absolute ethanol and few drops of glacial acetic acid to Synthesis compounds [J7-J9]. 2- The second route (scheme 2) includes Synthesis of the compound [J10-J12], which is from the reaction of 2-amino benzimidazole, 2-Thiophene carboxylic acid hydrazide, 3 amino-1,2,4-triazole respectively with (indole-3-carboxyaldehyde) in the presence of absolute ethanol, few drops of glacial acetic acid to obtain compounds [J10-J12]. 3- The third rout (scheme 3) includes Preparation of the compound [J13] from a mixture of 4-(dimethyl amino)benzaldehyde and 4-amino acetophenone in absolute ethanol and a few drops of glacial acetic acid. The reaction of compound [J13] in the presence of ethanol with a suitable aldehyde (indol-3-carboxyaldehyde) and added (4-5) drops of piperidine to Synthesis compound [J14] 4- The fourth rout (schem 4) includes Synthesis of the compound [J15,J16] from mixture of indole-3-carboxyaldehyde with 3-aminoacetophenone or 4-aminoacetophenone and in the presence of NaOH, ethanol. The reaction of [J15] in ethanol, ethyl acetoacetate, ammonium acetate were added to Synthesis compound [J17]. A combination of [J16] was agitated in acetic acid, The reaction mixture was mixed with hydrazine hydrate to Synthesis compound [J18]. 5- The synthesized and Preparation compounds have been characterized by some spectroscopic methods such as ( FTIR) (1H-NMR , 13C-NMR), Mass spectrum determination of their physical properties such as melting points, and TLC. 6- Evaluation of the activity of the starting material (indole-3-carboxyaldehyde), (J7), and (J11) compounds were investigated as mild steel corrosion inhibitors in acidic corrosive solutions (0.2, 0.4, and 0.6 M) HCl in different concentrations (0.0005, 0.001, and 0.005 M) by Electrochemical methods.The morphology of mild steel surface was studied using the scanning elctrone microscopy (SEM), Energy dipersion (EDX) in the presence and absence of compounds the starting material (indole-3-carboxyaldehyde), (J7), and (J11), the results shows that the unhibited metal is corroded and shattered, while the inhibited metal remain intact. 7- The Gaussian software used the density theory functional method (DFT)B3LYP6-311G (d,p) gaseous phase basis to analyse the computational calculations and geometric optimizations of the synthesized compounds and the starting material (indole-3 carboxyaldehyde), Schiff bases (J7) and (J11). In order to understand the structural activity of these compounds tri-dimensional (3D) geometry, electronic levels, namely HOMO (high molecular orbital) and LOMO (lowest molecular orbital) and quantum chemical parameters, were evaluated.

Study The Effect of Some Biochemical and Immunological Parameters in Iraqi Children with Growth Hormone Deficiency

By: Nawras Farhan Ali    Supervised By:Assist. Prof.Dr.Wafaa Raji Al-Fatlawi & Prof. Dr.Abdulnasser M. AL-Gebori    year: 2023

Abstract

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Growth hormone deficiency (GHD) is one of the most prevalent endocrine conditions associated with short stature in children. It is typically used for provocative testing to diagnose and confirm GHD. Insulin-like growth factor-1 (IGF-1) levels are affected by GH, which also represents endogenous GH released spontaneously. Since IGF-1 does not have a circadian rhythm, it is possible to measure each person's level of IGF-1 at any time of day to determine their level of GH without having to submit them to time-consuming provocative testing. The objective of the current study is to evaluate the concentrations of hepcidin and sclerostin (the novel markers in this study) and to reveal their correlations with other biochemical parameters (FBS, lipid profile, urea, creatinine, TNF-α, hs-CRP, calcium, phosphorous, ALP, iron, ferritin, Vit.D3, insulin, and BMI) that might be impacted in patients with short stature. The study was carried out at the National Diabetic Center – Almustansirya University from the period November 0202 to June 2021. One hundred twenty (120) subjects enrolled in this study, 60 patients (37 male and 23 female) and 60 as control (26 male and 34 female) and their parents’ consent to participate in the study. Anthropometric data revealed a non-significant difference (p> 0.05) in weight, age, and BMI between patients and control groups, while height revealed a highly significant decrease (p<0.01) in the mean values of patients compared to the control values. The findings indicated that there was a highly significant reduction in basal GH levels before stimulation between the patient group and the control group (p< 0.01), and that GH2 and GH3 levels were significantly lower in the patient group than in the control group after clonidine stimulation for one hour and 1.5 hours, respectively. Regarding IGF-1, the findings showed that there were low levels in patients (p <0.01) than the control. The levels of hep and scl for the patients and control groups disclosed a highly significant decrease (p <0.01) in the mean values of patients compared to the control values. There was a strong relationship between hepcidin and sclerostin in children with GHD.The levels of TNF-α and high sensitivity C-reactive protein Hs-CRP showed increase in patients (p <0.01) compared to control. The results of Vit. D3, Phosphorous, and Calcium revealed a nonsignificant difference (p> 0.05) between patients compared to control, while ALP showed a highly significant decrease (p <0.01) between patients and control. The lipid profile results revealed a significant increase (p<0.05) in Tg and VLDL levels of patients compared to the control group, while there were non-significant differences (p> 0.05) in HDL, LDL, and Ch. FBS showed non-significant differences (p> 0.05) between studied group and Insulin levels in patients increased significantly (p <0.01) when compared to the control group. In conclusion, the study revealed that hepcidin, sclerostin, TNF- α, and hs-CRP helpful in identifying patients who are at risk for short stature at a childhood and young age.

Adsorptive Removal of Potentially Toxic Metals from Contaminated Water using Peanut Shells

By: Rusol Maki Taleb   Supervised By: Assist. Prof. Dr. Bashar Hussein Qasim    year: 2023

Abstract

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Heavy metals are considered as a major water pollutant which threat the aquatic environment and therefore threat the human's health. This study aimed to use an environmentallyfriend and low cost material as an efficient adsorbent to remove the heavy metal ions (zinc, lead and cadmium) from wastewater. Three types of peanut shells were used for this purpose, normal peanut shells (NPS) which prepared by grinding shells and washed with tap water. Second type was the carbonized (biochar) peanut shell (CPS) which prepared by the pyrolysis process at 550°C. Finally, the KOH-activated peanut shells (APS) which prepared through the chemical activation using 7M KOH solution. The physico-chemical properties of these types were distinguished using Scanning electron microscopy (SEM), Energy dispersive X-ray spectroscopy (EDX) analysis, Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD) and Brunauer-Emmett-Teller (BET) surface area analysis. The BET results showed that the activated peanut shells had a high surface area (349. 2 m2 . g-1 ), the peanut shells biochar had a surface area of 197. 88 m2 . g-1 , whilst the normal peanut shells had a value of 2. 884 m2 . g-1 . EDX analysis revealed the appearance of a large percentage of carbon in activated peanut shells (88.2%), the carbonized peanut shells had 75% of carbon, while the normal peanut shells had lowest carbon percentage (27.6%). The FTIR spectra showed that the hydroxyl groups that presented in peanut shells were contributed to the adsorption process. XRD images showed an increase in crystallographic plane of the cellulose lattice for ACP compared with CPS and NPS. The adsorption of metal ions was examined and the optimum conditions were determined for each metal ion and for each type of peanut shell. The optimum conditions included: pH (5-6), contact time (45-60 min), initial ions concentration (10-20mg. L -1 ), adsorbent dose (2-2.5 g), and temperature (40-45oC). Interestingly, from the result under optimum condition the removal percentage of lead, zinc and cadmium reached 67.5, 62.9, and 66.4% respectively for normal peanut shells. As for carbonized peanut shells, the removal of lead, zinc and cadmium were 85.5%, 80.7%, and 82.3% respectively. Whereas, for the activated peanut shells, the removal percentage was 98.3% for lead, whilst the percentage of removal for zinc and cadmium reached 96% and 97.86% respectively Adsorption isotherm which indicated the Langmuir model provides the best fits for metal ions adsorption onto the surface of peanut shells compared to the Freundlich model. The kinetic model for the adsorption of the metal ions showed that the pseudo-first order kinetic fitting the data better than the pseudo-second order kinetic with a correlation coefficient R2 > 0.99 for all types of peanut shells. The obtained results showed that the activated peanut shells possess higher adsorption efficiency for the removal of the studied metal ions from wastewater compared to both carbonized and normal peanut shells.

Synthesis, Characterization, and Biological Evaluation of Some New Chalcone Derivatives

By: Haneen Hadi Abed    Supervised By:Prof.Dr.Khalida F.AL-Azawi   year: 2023

Abstract

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The research included the formation of new compounds with biological effectiveness that have the ability to be used as therapeutic materials in various fields, as they were chosen to enter as antioxidants and antimicrobials, and as a result of their great effectiveness in inhibiting the growth of bacteria, they are also proven effective as anti-skin cancer. As a result, it has been tested as a wound-healing material and proven effective in this direction. The chalcone compounds were chosen because of their wide scope in scientific research and were used as intermediates for the formation of Schiff’s Bases compounds, Imides and azo dyes as shown in the scheme (1,2,3,4) , and they were characterized by FTIR, 1HNMR spectroscopy, physical properties and study of their biological activities. The research methodologies can be summarized in two parts: The first part:- Synthesis of compounds, including: 1. Synthesis of compound [H1] 3-acetyl coumarin and use to synthesis of Chalcone compounds [H2-H9] from compound [H1] with different aldehydes (3-Nitrobenzaldehyde, 4-Nitrobenzaldehyde, 4-hyderoxybenzaldehyde, 4-methoxybenzaldehyde, 2,4-Dichlorobenzaldehyde, 9-anthracarboxyaldehyde , Syringaldehyde , 4-N,N-dimethybenzaldehyde) by traditional method and microwave 2. Synthesis of Chalcone [H10] from furfural and 4-aminoacetophenone 3. Synthesis Schiff’s Bases compounds [H11-H14] from compound [H10] and different benzaldehyde(3-Nitrobenzaldehyde,4-Nitrobenzaldehyde,4-methoxy benzaldehyde, 9-anthracarboxyaldehyde) by microwave method 4. Synthesis of imides compounds [H15-H16] from compound [H10] and different anhyderide (Maleic anhydride, phthalic anhydride) by traditional method and microwave 5. Synthesis of Azo dyes compounds [H17-H22] from compound [H10] and different phenols (4-Nitro phenol, 3-Nitro phenol, 2- Nitro phenol , 4- Bromo phenol, 4-Acetamino phenol, 3-Ethyl phenol) . The second part:- Biological activity of some prepared compounds: 1- Antioxidant activity : The study includes the antioxidant of some compounds by 1,1-Diphenyl-2-picrylhydrazyl (DPPH) method using ascorbic acid as the control positive, and the results demonstrated that some compounds have antioxidant activity increased with increasing the concentrations, especially with compounds (H4, H5, H6 , H9, H12, H13, H15, H17, H18, H21) . 2- Antimicrobial activity: The study includes the antibacterial activity of all compounds prepared on two types of bacteria, namely, (Staphylococcus Aureus, Escherichia Coli), and fungal (Candida albicans) in three different concentrations, the highest inhibition zone was in the compounds with compounds (H3, H4, H5, H6, H8, H9, H13, H15, H21). 3- Anticancer activity: The study includes using human skin squamous cancer cell line by Two compounds [H6] and [H21] were excellent treatment that were tested as anticancer in vitro. 4- Wound healing test: The effect of [H6], [H21] at 100 μg/mL on wounds healing in experimental animals were studied. The results showed that the ability of the [H6], [H21] to heal the wounds was faster than other groups, the animals were fully healed only after 7 days and completed in 10th day.

Synthesis, Characterization, and Antimicrobial Activity of Some Heterocyclic Compounds Based on Sulfamethoxazole

By: Oula Basim Yousif    Supervised By:Assist. Prof. Dr. Dhafer Saber Khalaf & Assist. Prof. Dr. Mohammed Shamil Ali    year: 2023

Abstract

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Sulfamethoxazole is categorized as a sulfonamide antibiotic and is frequently used in conjunction with trimethoprim to treat different bacterial infections. It demonstrates broad-spectrum effectiveness, showing activity against both gram-positive and gram-negative bacteria. Thiophene and sulfamethoxazole have displayed encouraging potential as fundamental components in the creation of carbon-carbon bonds through nucleophilic addition reactions (Mannich bases) and the formation of a wide range of compounds characterized by a double bond linking carbon and nitrogen atoms (Schiff bases). These compounds offer diverse chemical structures and possess significant potential for various biological activities. Notably, the Mannich reaction has emerged as an effective and environmentally-friendly approach for producing β-aminoketones using mild catalytic conditions. These advancements hold great promise for optimizing the synthesis of β-aminoketones and broadening their applications in diverse fields. The optimization and successful implementation of a one-pot multicomponent Mannich-base synthesis were carried out to prepare the target compounds (4a-l). This involved reacting 2-acetylthiophene with sulfamethoxazole and various aromatic aldehydes. The Mannich-base synthesis method yielded the desired compounds in moderate yields ranging from 40% to 72%. The approach used for the synthesis and isolation of the compounds resulted in materials with high purity, as confirmed by TLC and spectral studies. (E)-N-Substituted-4-(((1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl) methylene) amino) benzenesulfonamide (9) was obtained using a Schiff-base condensation reaction. This reaction involves the nucleophilic addition of the 4-amino substituted benzenesulfonamide (8) to the carbonyl group of 1-phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde (7), followed by the elimination of a water molecule. The synthesized compounds were successfully isolated with satisfactory yields ranging from 62% to 72%,(6) the reaction procedure was carried out by combining 2-acetylthiophene (2.5 g, 0.02 mol) with 1 ml of glacial acetic acid in 15 ml of absolute ethanol. FT-IR and 1HNMR spectral analyses were employed to confirm and determine the chemical structure of the intermediates and final compounds. Additionally, frontier molecular orbital analysis was conducted on the synthesized compounds (4a-l) to forecast their reactivity. This analysis entailed evaluating the reactivity of these chemical species by studying the energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO). Moreover, the docking process yielded information about the free energy of binding and interactions with amino acids, which were then, used for comparison with the docking results of the test ligands. The antimicrobial activity of the synthesized compounds was evaluated using the well-diffusion method. Significantly, all the synthesized compounds showed outstanding effectiveness, outperforming the control, when tested against gram-positive bacteria (Staphylococcus aureus), gramnegative bacteria (Escherichia coli), and Candida albicans. Among the compounds, (4k, 4l) demonstrated the most potent antibacterial effect against gram-positive bacteria, displaying the highest inhibition zones, especially at the highest concentrations tested. On the other hand, (4j, 4k, 9b) exhibited the highest inhibition zones against gram-negative bacteria. Moreover, compounds (4j-4l, 9a, 9b) demonstrated exceptional resistance against Candida albicans, displaying the largest inhibition zones (ranging from 15-40 mm) across all tested concentrations, surpassing the efficacy of all other compounds.

Synthesis, Characterization and Studying Biological Activity of Some New Chalcone Derivatives

By: Mariam Hadi Adel    Supervised By:Assist.prof.Dr.Hiba Hayder Ibraheem    year: 2023

Abstract

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An important class of compounds, pyrazole derivatives, are synthesized by using different methods and chemicals, which were used in biological and industrial fields. 1- React with 3-acetyl pyridine different aromatic aldehydes (4-N,Ndimethylaminobenzaldehyde, 4-bromobenzaldehyde, Vanillin) to give chalcone derivatives (M1-M3). 2- Pyrazole derivatives were prepared by reacting of 3-(4-substituted phenyl)-1- (pyridin-3-yl) prop-2-en-1-ones (M1-M3) with an excess of hydrazine hydrate under reflux in acetic acid to give compounds (M4-M6). 3- Preparation of compound (M7) from the reaction of the salicylaldehyde with ethyl acetoacetate, then react of compound (M7) with different aromatic aldehydes (N,Ndimethylaminobenzaldehyde, 4-bromobenzaldehyde, Vanillin), to give chalcone derivatives (M8-M10). 4-Pyrazole derivatives were prepared by reacting of 3-(3-(4-substituted-phenyl) acryloyl) -2H-chromen-2-one (M8-M10) with an excess of hydrazine hydrate under reflux in acetic acid to give compounds (M11-M13). 5-The methods used to characterize the prepared compounds include some spectroscopic methods such as FT-IR, 1H-NMR, 13CNMR and determination of their physical properties such as melting points and TLC. 6-The prepared compounds were tested as antioxidant agents against 2,2-diphenyl1-picrylhydrazyl DPPH and hydrogen peroxide H2O2 radicals, then compared the results with ascorbic acid (Vit.C) which shows that produced compounds have the antioxidant effect due to their different function groups which can give a high inhibition effect. The results show that compounds M6 and M12 show the highest activity about 86.6% and 83% in DPPH scavenging activity, also compounds M6 and M12 show the highest activity in H2O2 scavenging activity about 96.91% and 87%, respectively. 7-The study includes the antibacterial activity of all prepared compounds on four types of bacteria, namely, (Staphylococcus Aureus, Staphylococcus Epidermidis, Klebsiella aerogenes, Escherichia Coli), and fungal (Candida albicans). 8- Anti-cancer activity of the MCF-7 breast cancer cell line and compounds (M5,M12) REF cells. The study demonstrated efficacy of MCF-7 breast cancer cell for compounds (M5, M12) at different concentrations (12.5 µg/ml, 25 µg/ml, 50 µg/ml, 100 µg/ml,200 µg/ml, 400 µg/ml). The rate of inhibition of the growth of cancer cells in the breast cancer cell line increases with the increase in the concentration of the compound in general. 9- The prepared compounds (M2, M5, M9 and M12) underwent a docking procedure Ampicillin-CTX-M15. The orthosteric target was shown to bind to every hit. (Active) location of the enzyme, which might signify a competitive inhibition mechanism.

Assessment of the effect of coagulation and flocculation as a pretreatment process in reducing pollutants from wastewater by using alum, lime and ferrous sulfate as coagulants

By: Seham Abdalhussien kareem    Supervised By:Assist. Prof. Dr. Ahmed Jassim muklive    year: 2023

Abstract

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In the field of wastewater treatment, there are many techniques used to reduce dissolved and suspended pollutants that have a negative impact on the environment and living organisms. This study aimed to determine the properties of wastewater after it was treated through the process of coagulation and flocculation as a pre-treatment chemical process by using alum, lime, and ferrous sulfate heptahydrate as coagulants. Wastewater samples were collected from the inlet and outlet of four wastewater treatment plants (Al Mahmoudiyah, Jisr Diyala, AlMadaen, Al-Latifiya) based on the activated sludge process and no chemicals were used in the treatment. The ideal doses of coagulants to achieve the lowest possible turbidity of wastewater were found by Jar Test. Comparing the values of the wastewater evaluation parameters has proven that the coagulation and flocculation process was efficient in reducing pollutants as the pre-treatment process. When using alum as a coagulant, the wastewater turbidity decreased by 91.3% as an average of the samples taken from the four wastewater treatment plants, the phosphate concentration decreased by 95.4%, total suspended solids decreased by 82.1%, oils and grease decreased by 59.3%, the concentration of organic matter, which is the most polluting substance in wastewater, decreased, as the value of BOD decreased by 50% and COD by 48.7%, the concentration of ammonium decreased by 28.75% and the total dissolved solids concentration decreased by 16.8%. When using lime and ferrous sulfate heptahydrate as a coagulants, the wastewater turbidity decreased by 90.4% as an average of the samples taken from the four wastewater treatment plants, the phosphate concentration decreased by 78.2%, the total suspended solids decreased by 69.5%, and the oils and greases decreased by 51.3%, the organic matter concentration decreased as the BOD value decreased by 46% and COD by 46.3%, the ammonium concentration decreased by 10.88%, and the total dissolved solids concentration decreased by 9.88%. The coagulation and flocculation process is a pre-treatment process for wastewater that has proven to be highly efficient in reducing pollutants from wastewater before the start of the treatment process in wastewater treatment plants depending on activated sludge processes, it leads to producing treated wastewater of good quality that can be reused without harm to the environment and living organisms.

Preparation and characterization of some Nano oxides with Study their environmental applications

By: Zainab jawad Abdul Zahra   Prof. Dr. Rashed T. Rasheed   year: 2023

Abstract

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Several nanoparticles were prepared using reflux (V2O5.nH2O), and autoclave (Al(OH)3, Zn(OH)2, and Ce(OH)4). These nanoparticles were dried at 90 oC (asprepared) and annealed at 400 oC to get their oxides (V2O5, Al2O3, ZnO, and CeO2) respectively. Then it is characterized by (UV/Visible and FTIR spectroscopies, Xray diffraction (XRD), atomic force microscopy (AFM), and scanning electron microscopy (SEM). The results showed that the average grain size of the nanoparticles measured by the AFM method the following sequence: Zn(OH)2 (28.29 nm) < Al(OH)3 (38.65 nm) < V2O5.nH2O (43.18 nm) < Ce(OH)4 (110.23 nm), were dried at 90 oC. While the metal oxides nanoparticle that annealed at 400 °C followed the sequence: CeO2 (23.13 nm) < ZnO (35.44 nm) < V2O5 (41.07 nm) < Al2O3 (53.82 nm). The prepared nanoparticles to remove some pollutants (ammonium ion, ninhydrin, and nitrite) and the measuring results showed that the percentage of pollutants removed and removal efficiency as follows: 1. For ammonium ions: the following sequences were found, V2O5.nH2O> Zn(OH)2> Al(OH)3> Ce(OH)4, as well as the same sequences with slight variations in intensity of removal for these oxide samples, and the as-prepared nanoparticles are more qt than oxides. 2. For ninhydrin: the following sequences were found, V2O5.nH2O> Zn(OH)2> Ce(OH)3> Al(OH)3 as well as the same sequences with slight variations in intensity of removal for these oxide samples, and the as-prepared nanoparticles are more qt than that oxides. 3. For nitrite: the following sequences were found, V2O5.nH2O>Al(OH)3> Zn(OH)2>Ce(OH)4 as well as the same sequences with slight variations in intensity of removal for these oxide samples, the as-prepared nanoparticles are more qt than oxides. All the prepared vanadium pentoxide nanoparticles showed greatest effectiveness in pollutant removal compared with the other nanoparticles. These results may be related to that %R and qt do not depend on the grain size of the nanoparticles only, but on the surface nature of the nanoparticles. For example, nitrite ions prefer to adsorb on hydroxide surfaces (as-prepared), while ammonium and ninhydrin pollutants prefer to adsorb on oxide surfaces.

Levels of Tenascin-C and Some Parameters in Patients with Axial Spondyloarthritis

By:Mohammed Salah Faisal    Supervised By:Prof. Dr. Abdulnasser Mohammed Al-Gebori & Prof. Dr. Mohammed Hadi Munshed Al-Osami    year: 2023

Abstract

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Axial spondyloarthritis (axSpA) is an inflammatory, systemic rheumatic condition with a wide range of symptoms that affect mainly the spine and sacroiliac joints. Tenascin-C (TN-C) is a hexameric glycoprotein found in the extracellular matrix, upregulated in many inflammatory conditions and plays a role in tissue injury in inflammatory diseases. The study included 128 samples. Eighty-eight of them were axSpA patients, while forty were healthy control individuals with no signs or history of any autoimmune diseases or malignancies. The patients were attending the rheumatology unit in the Baghdad Teaching Hospital. Patients were sub-grouped into: group (1), sixty-four patients who received a tumor necrosis factor inhibitor (TNFi) and group (2), twenty-four patients who did not received a TNFi. Serum levels of TN-C, Interleukin-17 (IL17), and Human Leukocyte Antigen B27 (HLA-B27) were measured using the enzyme-linked immunosorbent assay (ELISA) technique, while serum levels of copper (Cu), zinc (Zn), aspartate aminotransferase (AST), alanine aminotransferase (ALT), blood urea nitrogen (BUN), and creatinine levels were measured by spectrophotometric method, in addition the copper to zinc (Cu/Zn) ratio was calculated. The results show a highly significant increase (p<0.001) in disease activity assessed as the bath ankylosing spondylitis disease activity index (BASDAI) in patients that are not treated with TNFi compared to patients that are treated with TNFi. Highly significant increase (p=0.005) in patients' TN-C concentration levels, especially in patients that are not treated with TNFi in comparison with healthy controls. Significant increase (p=0.046) in IL-17 concentration levels in patients that are treated with TNFi compared to healthy controls. Highly significant increase (p<0.001) in HLA-B27 concentration levels in comparison with healthy controls in both patient groups. Significant increase (p=0.029) in Cu concentration levels in patients that are not treated with TNFi in comparison with healthy controls. Significant decrease (p=0.031) in Zn concentration levels in patients that are not treated with TNFi in comparison with healthy controls. Highly significant increase (p=0.002) of Cu/Zn ratio in patients that are not treated with TNFi in comparison with healthy controls. There was also a positively significant correlation in non-TNFi patients' TN-C with ESR (r=0.51, p=0.025) and Hb (r=0.55, p=0.012) respectively. In conclusion, this study indicated that the high disease activity in patients that are not treated with TNFi indicates a high inflammatory response in this group, which affects other parameters by making a significant increase in TN-C, Cu, and Cu/Zn ratio levels, while Zn levels were significantly decreased, suggesting that there is an association with tissue injury as a result of the disease as well as the resident immunological stimulation of the cells tissue.

Synthesis, characterization and biological activity of mixed ligand complexes of some metal ions containing new2-Thioxoimidazolidin- 4-one derivative and amino acid.

By: Nuha Majid Rasheed   Supervised By: Assist .Prof .Dr.Sallal A. Abdullaha    year: 2022

Abstract

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In this work, a new Thioxoimidazolidin derivatives have been prepared as ligands, L1=(3-{(E)-[(4-hydroxy-3-methoxyphenyl) methyl- idene]amino}-2-sulfanylideneimidazolidin-4-one) and L2=(3-{(E)-[(4-bromophenyl)methyldenamino-2sulfanylideneimidazolidin-4-one in an attempt to investigated their coordination behavior towards number of metal ions by synthesizing a new mixed ligand complexes using an amino acid as second ligand, then the biological activity of these ligands was compared with its complexes. These ligands were synthesized by the reaction of carbonyl compounds with thiosemicarbazide, the product then was reacted with chloroethylacetate in ethanol medium. The products were isolated and characterized by a suitable physical measurements FT-IR,UV-Vis spectrophotometer,mass spectrophotometer and 1H-NMR spectroscopy as well as elemental analysis (C.H.N.S),The new ligands (L1 and L2) have been used to synthesized a number of new mixed ligand complexes using amino acid (glycine) as a second bidentate ligand with selected metal ions [Co(II), Ni(II), Cu(II), Zn(II), and Cd(II)]. All new synthesized mixed ligand metal complexes have been isolated, characterized and studied in solid state by studying their physicochemical and analytical properties such as elemental analysis (C.H.N.S), flame atomic absorption spectroscopy, FT-IR and UV-Vis. Spectra, molar conductivity and magnetic susceptibility measurements at room temperature. Number of structural phenomena have been revealed during the study of the new mixed ligand complexes. It was found that (L1 and L2) coordinate with the metal ion as a bidentate ligands through the nitrogen atom of the azomethene group and sulfer atom of the thione group, while the amino acid coordinated to the metal ion through the nitrogen atom of the amino group and oxygen atom of the carboxylate group. The results showed that all metal ions complexes could be found in [1:1:1]( L:M:L) ratio. From the study of geometrical shape, the following metal ions Co(II), and Cd(II) have an octahedral shape, while Ni(II) and Cu(II) ion has a square planer shape, and the Zn(II) ion has a tetrahedral geometrical shape with L1, while the geometrical shape of the transition metal ions with the (L2) , all the complexes have an octahedral geometry except Ni(II) and Cu(II) which have a square planer shape .The antibacterial activity for ligands (L1 and L2) and their metal complexes were studied against two selected micro-organisms (E.coli ) and (Staphylococcus haemolyticus) .The result showed that both of ligands (L1) and (L2) were inactive against (E.coli and staphylococcus), while the complexes (N1,N8,N9,N10) showed a high inhibition activity against (staplylococcus) and (E.coli) compared to the other complexes and the pairent ligands, while the complex (N4) showed activity against (E.coli ) bacteria.

Assessment of Tenascin-C and Aurora A kinase Sera Levels in Iraqi Women Patients with Breast Cancer

By: Enas Salah shaker   Supervised By: Assist. prof. Dr. Mohammed Shamil Ali    year: 2022

Abstract

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Breast cancer is the most common types of cancers among females worldwide, reaching more than 2.2 million cases in 2020. The term tenascin is derived from the Latin words tenere to hold, and nasci to be born, referring to the presence of tenascins in fetal tissue, Nowadays, it is known that TNC involved in morphogenic changes during development and tissue remodeling, as well as in cell adhesion and signaling between cells. Aurora A kinase is a master mitotic regulator whose functions are controlled by several regulatory interactions and post-translational modifications. It is frequently dysregulated in cancer, making Aurora A inhibition a very attractive antitumor target. The study aims to find a new and rapid diagnosis of breast cancer using blood samples by identifying levels of tenascin C and Aurora A kinase and find the relationship between them and other biochemical variables in patients before and after treatment. This study was conducted on Iraqi patients with breast cancer, included 120 individuals divided into three groups, The first group included 40 patients that were newly diagnosed with breast cancer (pre-treatment) and the second group included 40 patients with breast cancer treated with trastuzumab. The third group included 40 apparently healthy female subjects to serve as the control group. The subjects enrolled in this study were attending Al-Anbar Teaching Hospital / Tumor Center, from September 2020 to April 2021. The sera collected were divided into aliquots and stored at (-20 ºC) until assayed. Tenascin C. Aurora A kinase, epidermal growth factor receptor II, Estradiol and cancer antigen 15-3 were measured by enzyme-linked immunosorbent assay, while levels of liver function tests which includes albumin, total serum bilirubin, alanine aminotransferase, aspartate aminotransferase and total protein; renal function tests which includes blood urea, creatinine and uric acid; lipid profile. All of these measured by Cobas 111. In order to avoid any potential effect on the results of the study, patients with breast cancer after surgical removel, patients with breast cancer after radiation and chemical therapy, patients with metastatic breast cancer, patients with benign breast tumors , other types of cancer and patients under hormone replacement therapy were excluded.The results appeared:  The study revealed a significant increase in the levels of Tenascin C, Aurora A kinase, epidermal growth factor receptor II, estradiol, and cancer antigen 15-3 for untreated cancer patients compared with healthy controls, however their levels decreased significantly. In hormonally treated patients compared to untreated patients (p≤0.05).  The study revealed significant increase (p≤0.05) in the levels of total protein in patients before treatment compared with those treated with hormones, and showed significant increase (p≤0.05) in the albumin level of groups treated with hormones compared to untreated and healthy patients, while it did not appear significant difference(p>0.05) in the levels of alanine aminotransferase, aspartate aminotransferase and Total serum bilirubin.  There were no significant differences in the levels of renal function test between the three groups (p>0.05).  The results showed a significant increase in the levels of cholesterol, triglycerides, low density lipoprotein cholesterol, and very low density lipoprotein in the blood serum of patients with cancer compared with the healthy group, however their levels decreased significantly in the hormone-treated patients compared to the untreated patients (p≤0.05), except for high density lipoprotein, which showed a significant decrease in the patients before treatment compared to the healthy group, while there was no significant difference compared to the patients after the hormone treatment (p>0.05).  Relationship was found between Tenascin C and cancer antigen 15-3. A negative relationship was found between them in patients before and after treatment (p ≤ 0.05).  A negative relationship was found between Tenascin C and cancer antigen 15-3 in serum of patients after hormone therapy (p-value ≤ 0.01), in addition to a negative significance correlation between Tenascin C and alanine aminotransferase (p ≤ 0.05(.  The results revealed a positive significance correlation between Aurora A kinase and Aspartate aminotransferase (p≤0.05) in the hormone-treated patients, while no significance was detected between Aurora A kinase and the other parameters before treatment except was negatively correlated with total protein. Conclusion: The possibility of Finding a new and rapid diagnostic method for breast cancer, using blood samples to determine the levels of TNC and AURKA due to their high levels in this study.

Impact of Vitamin D elements in developments of osteoporosis in type 2 diabetic patients

By: Hawraa Raheem Shamikh   Supervised By: Assist. Prof.Dr. Wafaa Raji Alfatlawi & Assist. Prof. Dr. Muhammed A.H Aldabagh    year: 2022

Abstract

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Type two diabetes mellitus (T2DM) is the most common type of diabetes, it is characterized by hyperglycemia in the presence of hyperinsulinemia which is produced from beta cell insulin secretory malfunction and insulin resistance. T2DM have a direct effect on bone strength and increase the risk of fractures. Vitamin D deficiency is considered as a risk factor for both T2DM and osteoporosis. This study was conducted during the period from November 2020 to march 2021. The participant was recruited from Medical City of Baghdad Teaching Hospital, educational laboratory and Al-Imamain Al-Kadhumain Medical City. Current case control study included 120 postmenopausal women aged 50-70 years old, 78 of them are T2DM patients and 42 control. Serum levels of vitamin D, vitamin D binding protein (DBP), vitamin D receptor (VDR), Osteocalcin (OC), and insulin were measured for both patients and control by using Enzyme-linked immunosorbent assay (ELISA), whereas fasting blood sugar and lipid profile were measured by humalyzer. The device Dual energy X-ray absorptiometry (DXA) used to diagnose osteoporosis by measuring bone mineral density (BMD) and T.score. The subjects were studied in three classifications, the first classification was according to FBS subjects were divided into two groups: T2DM patients and control, the results showed a significant difference (p≤0.05) in each of Osteocalcin, vitamin D binding protein (DBP), vitamin D receptor (VDR), FBS, insulin, and HOMA-IR, while there was no significant difference (p>0.05) in BMD, T.score and body mass index (BMI) between patients and control. The results of lipid profile showed significant dropping in HDL and VLDL in T2DM patients while there was non-significant differences (p>0.05) in each of TC, TG, and LDL. The second classification was according to T.score and FBS, patients were divided into three groups: I-T2DM patients without osteoporosis (p), II- patients with osteopenia (Ppeni), and III- patients with osteoporosis (Pporo), the control also divided into three groups: I-control without osteoporosis (C), II- control with osteopenia (Cpeni), and III- control with osteoporosis (Cporo). The results showed that BMD in Pporo and Cporo was significantly lower than other groups, Osteocalcin level in Pporo was significantly higher than other groups, Pporo group have dyslipidemia. The third classification was according to T.score the subjects were divided into healthy, osteopenia, and osteoporosis. The results showed that serum level of Osteocalcin in osteoporosis group was significantly (p≤0.05) higher than osteopenia and healthy groups. BMD and T.score in osteoporosis group was significantly lower than osteopenia and healthy group. While there was no significant difference in vitamin D between healthy, osteopenia, and osteoporosis. The level of DBP in osteopenia and osteoporosis was significantly lower than healthy group. Each of VDR, FBS, insulin and HOMA-IR showed non-significant differences among healthy, osteopenia, and osteoporosis. In conclusion there was no difference in the prevalence of osteoporosis between T2DM patients and control, so T2DM showed no effect on BMD, there was insufficiency in vitamin D in all subjects in this study. High levels of Osteocalcin in osteoporosis patient can be used as a diagnostic biomarker, also low levels of DBP in osteoporosis group can be a diagnostic biomarker. BMI is protective against osteoporosis, there was a positive correlation between BMI and BMD.

Preparation, Characterization, and Application of some Nano inor ganic compounds as N a nozymes

By: Alaa Ahmed Majeed   Supervised By: Prof. Dr. Rashed T. Rasheed    year: 2022

Abstract

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Several nanoparticles were prepared by the sol-gel method (Fe3O4, Fe2O3, and SnO2) and another (ZnO) by the hydrothermal method (autoclave). These nanoparticles were dried at 90 oC (as-prepared) and annealing at 400 oC to get [(Fe(OH)3, [Fe(OH)2 and Fe(OH)3], Zn(OH)2, and Sn(OH)4)] and [(Fe2O3, Fe3O4, ZnO, and SnO2)] respectively. These nanoparticles are characterized by (UV / Visible and FTIR spectroscopy, X-ray diffraction (XRD), atomic force microscopy (AFM), and scanning electron microscopy (SEM). The results showed that the average grain size of the annealing nanoparticles measured by the AFM method was in the following sequence: Zn(OH)2 (77.99 nm) < [Fe(OH)2 and Fe(OH)3] (91.36 nm) < Sn(OH)4 (91.49nm) < Fe(OH)3 (104.52 nm) when drying at 90 oC. While it followed the sequences: Fe3O4 (69.44 nm) < ZnO (72.00 nm) < SnO2 (88.10 nm) < Fe2O3 (90.25 nm) when annealing at 400 °C. When nanozymes activity of these nanoparticles was measured to mimic acetylcholenesterase (AChE), Catalase (CAT), and Peroxidase (Pxase). The results presented the sequence of these nanozyme (AChE) activities of nanoparticles (as-prepared) were fellow as the following ([Fe(OH)2 and Fe(OH)3] 63.22 (U/min) > Zn(OH)2 53.48 U/min > Fe(OH)3 44.56 U/min > Sn(OH)4 41.08 U/min). While the sequence of these nanozyme (AChE) activities of samples annealing at 400 oC were fellow by the following (SnO2 58.69 U/min > ZnO 57.08 U/min > Fe2O3 48.68 U/min > Fe3O4 44.52 U/ min). Moreover, the results introduced the sequence of the nanozyme (CAT) activity of nanoparticles (as-prepared) that fellow as the following (Zn(OH)2 260.56 K. min-1 > Fe(OH)3 189.99 K. min-1 > [Fe(OH)2 and Fe(OH)3] 129.89 K. min-1 > Sn(OH)4) 13.39 K. min-1. Meanwhile, the sequence of the nanozyme (CAT) activity of samples annealing at 400 oC were fellow by the following (Fe2O3 220.71 K. min-1 > ZnO 62.29 K. min-1 > Fe3O4 56.20 K. min-1 > SnO2 48.65 K. min-1). The results showed the sequence of the nanozyme (Pxase) activity of nanoparticles (as-prepared) that fellow as the following (Sn(OH)4 5.80 U/min-1 U/min-1 > [Fe(OH)2 and Fe(OH)3] 3.04 U/min-1 > Fe(OH)3 2.64 U/min-1 > Zn(OH)2 2.53 U/min-1). On the other the sequence of these nanozyme (Pxase) activities of samples annealing at 400 oC were fellow by the following (ZnO 1.75 U. min-1 > Fe2O3 1.33 U. min-1 > Fe3O4 0.64 U. min-1 > SnO2 0.30 U. min-1). From these results it is clear that the nanozyne activities of these nanoparticles depend on the magnetic properties, ionic potential, and do not depend on the grain size of these nanoparticles.

Evaluation of Bone Remodelling Markers in Patients with Acute and Chronic Leukemias

By: Reem Abdulkareem Raheem   Supervised By: Professor Dr.Abdulnasser M. Al-Gebori & Professor Dr.Mohammed Hadi Al-Osami    year: 2022

Abstract

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Leukemia is a kind of blood cancer characterized by a rise in abnormal white blood cells that have not fully matured and are known as blasts or leukemia cells. These leukemic cells invading bone marrow may impact the differentiation of osteoblasts and osteoclasts, eventually leading to changes in physiological bone remodelling. The current study was conducted in the Hematology section of Baghdad Teaching Hospital/Medical City from November 2020 to January 2021. This study included 120 subjects. Thirty six of them were healthy subjects, and 84 were leukemia patients, who were further divided into four subtypes based on the type of leukemia (21 patients with acute lymphoblastic leukemia (ALL), 21 patients with acute myeloid leukemia (AML), 18 patients with chronic lymphocytic leukemia (CLL), and 24 patients with chronic myeloid leukemia (CML)). The aim of this study is to: 1- Evaluation of bone remodelling markers in leukemia subtypes. 2- Evaluate the levels of antioxidant activity and their relationships with various types of leukemia. This study investigated levels of cross-linked carboxy-terminal telopeptide of type 1 collagen (CTX-1), pyridinoline (PYD), osteocalcin (OC), interleukin-6 receptor (IL-6R), superoxide dismutase (SOD), and vitamin E using the enzyme-linked immunosorbent assay (ELISA), as well as calcium (Ca), and magnesium (Mg) using the automated biochemical analyzer (Humalyzer 2000). The results of this study showed a significant increase in levels of bone resorption markers CTX-1 and PYD in patients with CLL, and a significant decrease in levels of bone formation marker OC in both AML and CLL, and also a significant decrease in levels of Ca in ALL, AML, and CML, and levels of IL-6R in CML, but there was no significant difference in Mg levels when compared with healthy subjects. SOD levels showed a significant increase in ALL, AML, CLL, and CML, but there were no statistically significant differences observed in vitamin E levels in all leukemia groups except CLL group, which showed a significant decrease compared to the healthy subjects. Furthermore, the results showed that CTX-1 is correlated positively with OC and IL-6R in both ALL and CML, while OC was correlated positively with IL-6R in AML and Ca correlated positively with Mg in CML. This study also showed that there was no significant association of biomarkers with age and body mass index, except for Mg and SOD, which showed a positive correlation with age. In conclusion, CLL patients were the most likely to have bone problems because they had high bone resorption markers (CTX-1 and PYD) and low bone formation marker (OC). Low OC levels have also been seen in AML patients, indicating bone loss and decreased bone formation. High levels of CTX-1 and PYD could be novel diagnostic markers of bone resorption in CLL patients, and low OC levels could be a diagnostic marker of decreased bone formation in CLL and AML patients. The high levels of SOD and low levels of vitamin E regardless of the type of leukemia reflect the pathogenic condition, free radical buildup, and high levels of oxidative stress in leukemia patients. This suggests that SOD and vitamin E levels may play an important role as an indicator of acute and chronic leukemia.

Synthesis, Characterization and Anticorrosion study of some pyridine derivatives

By: Basma Aqeel Hadi   Supervised By: Assist. prof. Dr. Hiba Hayder Ibraheem    year: 2022

Abstract

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Pyridine is very important class of compounds used in biological and industrial fields, for that reason many Pyridine compounds have been synthesized by many methods. 1- Preparation of the compound [B1] from the reaction of the salicylaldehyde with ethyl acetoacetate, then the reaction of the compound [B1] with differant aromatic aldehydes (benzaldehyde, 4-nitrobenzaldehyde, 4-bromobenzaldehyde, Vanillin, 2- hydroxybenzaldehyde, 3- hydroxybenzaldehyde, 4- hydroxybenzaldehyde), Ethyl acetoacetate and Ammonium acetate to give Pyridine derivatives (B2-B8) Respectively. 2- The Gaussian software used the Density theory functional method (DFT)/B3LYP 6-31G (d,p) gaseous phase basis to analyze the computational calculations and geometric optimizations of the synthesized compound [B5]. In order to understand the structural activity of this compound, tri-dimensional (3D) geometry, electronic levels, namely HOMO (Highest Occupied Molecular Orbital) and LUMO (Lowest Unoccupied Molecular Orbital) and quantum chemical parameters, were evaluated. 3- Evaluation of the efficiency of (B2-B8) compounds were studied as corrosion inhibitors for mild steel in acidic corrosive solution 0.5M HCl in different of temperature (25, 35, 45, 55, 65 oC), times (3, 6, 12, 24, 48, 72 hrs) and concentrations (0.001, 0.002, 0.003, 0.004, and 0.005 M), by weight loss method for most compounds and Potentiostat method for the highest inhibition efficiency compound. Compound (B5) which have the best inhibition efficiency (99.35%) at 298 K for mild steel in 0.1M HCl. The morphology of mild steel surface was studied using the scanning electron microscopy (SEM), in presence and absence of Compounds (B5), (B4), the results shows that the uninhibited metal is corroded and shattered, while the inhibited metal remain intact. VIII The synthesis compounds have been characterized by some spectroscopic methods such as (FT-IR), (1H-NMR) and determination of their physical properties such as melting points.

Determination of Pb and Fe ions by direct spectrophotometric and flow analysis.

By: Khaldon Subhi Khazal   Supervised By: Assist. Prof. Dr. Ahmed Jassim muklive & Assist.Prof.Dr. Dheaa Shamikh Zageer    year: 2022

Abstract

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This thesis deals with the development of simple and sensitive analytical methods for the determination of lead and iron using flow-injection systems and contains several chapters: Chapter One: This chapter includes a general introduction to the analysis by flow injection, backflow injection and other types, in addition to their applications in the analysis of environmental, pharmaceutical and other materials. Also includes an introduction to Lead and Iron ions, methods of determination in spectrophotometry, and other analytical methods. It also includes an introduction to the reagents used. The reagents used in this paper are Doxycycline and DBHQ with examples of their applications. Chapter II: In this chapter, all the used chemicals and reagents used within this work were reviewed, with the inclusion of their preparation methods, as well as the presentation of all analytical devices and techniques used such as flow injection with all laboratory tools to complete the work. Chapter III: This chapter contains two parts:- Part one: discusses the development of a spectrophotometric method (Batch and nFIA) for the determination of lead ion in prepared samples and natural water samples by complex formation using (5, 7-dibromo-8-hydroxyquinoline) reagent in slightly acidic medium to give maximum absorption at 390 nm. The chemical and physical parameters were studied to obtain the optimal conditions for the proposed method. The equivalence of the formed product was studied using the two methods of molar ratio and continuous variation, where it was found that it is 2:1 (reagent: metal). Using the batch method, the linear range of concentration was taken into account for Beer's law at 0.01-60 μg ml-1 , and the detection limits were 0.01 μg ml-1 . Using FIA, the linear range of element concentration obeyed Beer's Law at 0.01-100 μg ml-1 and the limits of detection were 0.01 μg ml-1.The proposed methods have been successfully applied for the determination of lead in the Tap water samples. The results in both methods showed good agreement when statistically compared with the results of the analysis by atomic absorption method (FAAS) and standard spectroscopic method using T-test and F-test. This part also included the conclusions of the proposed methods and a comparison between these methods and other methods in the literature Part two: A spectrophotometric method (Batch and rFIA) was developed to determined of the Iron (III) ion at 435 nm, based on the reaction of the iron ion with doxycycline to give a colored compound. By studying all the physical and chemical variables of this method (reagent concentration, acid concentration used, sample volume, solution flow velocity, injected reagent volume, reaction coil length). The interference effect of some potential positive and negative ions on the identification process and the possibility of blocking it using some suitable blocking agents has also been studied. The equivalence of the resulting product was studied using the molar ratio and continuous variations methods and found to be 2:1 (Fe(III): DCH) and a linear range of 0.3-10 μg ml-1 for the batch method, 0.1-30 μg ml-1 rFIA, and the limits of detection 0.1 and 0.09 µg ml-1 , respectively. It was found that rFIA is a new method for iron determination by DCH. The proposed methods have been successfully applied for Iron determination in Tap water samples. The results in both methods showed good agreement when statistically compared with the results of the analysis by atomic absorption method (FAAS) and standard spectroscopic method using T-test and F-test. Finally, this part included the conclusions of the proposed methods and a comparison between these methods and other methods in the literature.

Synthesis, Characterization and biological evaluation of some transition metal complexes with new derivatives of some thioanhydride compounds

By: Aws Jassim Ibraheem   Supervised By: Assist.prof.Dr. Sallal A.Abdullaha & Assist.prof.Dr. Ahmed Th. Salim    year: 2022

Abstract

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In this research, new dithiocarbamates derivatives have been synthesized as a ligand in an attempt to investigate the coordination behavior of new derivatives toward a number of metal ions and study their biological activity. These ligands were synthesized by reacting phenylhydrazine with carbon disulfide to form (phenylhydrazine carbodithioic), then the product reacted with (4ـnitro benzoyl chloride) to produce the ligand(L1), [(pـnitro Benzoicـ2- phenylhydrazine-1-carbothioic thyioanhydride)] first, and the same product (phenylhydrazine carbodithioic) reacted with benzoyl chloride to form the second ligand (L2) (Benzoicـ2 ـphenylhydrazine- 1ـcarbothioic thyioanhydride). The newly synthesized ligands were isolated and characterized by available physical measurements, (FT.IR, UV-Vis Spectrophotometer, 1H-NMR Spectroscopy, mass spectrum, and (C.H.N.S) elemental analysis). The prepared ligands were used to synthesize a number of new complexes with selected metal ions [Co (II), Ni (II), Cu (II), Zn (II), Cd (II)], the new complexes have been characterized and studied in the solid state by studying their physical, chemical and analytical properties such as elemental analysis (C.H.N.S), flame atomic absorption, FT.IR and UVـVis Spectrophotometer, Molar conductivity, and magnetic susceptibility measurements. The study showed that the prepared ligands coordinated with metal ions through a sulfur atom and an oxygen atom of the carbonyl and thio groups for ligands. The results showed that the geometrical structure of the complexes had an octahedral structure for all metal complexes. The ligands and their metal complexes have been evaluated for their antiـmicrobial activity, the results showed that ligands and their metal complexes have high antiـbacterial activity against Gramـnegative (Acinetobacter) and Gramـpositive (Staph). The anti-fungi activity of ligands and their complexes showed significant anti-fungal activity against (Candida). The ligands and some metal complexes were evaluated for the activation and inhibition activity of liver enzymes (GOT, GPT, Bilirubin), and the results showed an increase in the activation activity of both (GOT and Bilirubin enzymes), while ligands and selected metal ion complexes had an inhibition activity toward GPT enzyme. The normal range of enzymes was studied without adding the prepared compounds and compared after adding the compounds. The results showed a decrease in the normal range in the (GOT) enzyme while the normal range in the (GPT) enzyme increased in males but decreased in females. Also, the results showed a slight increase in the normal range in (TSP).

Theoretical Study in Design of Molecular Catchers and Study their Electronic Properties

By: Ali Abdullah Issa    Supervised By:prof.Dr. Hasan R. Obayes    year: 2021

Abstract

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Molecular Tweezer is molecular receptors with an open cavity defined by two reaction sites. New tweezers have been designed with the reaction of [5] -circulene (known as corannulene) and [7] -circulene. Depending on the mechanism of periodic polymerization, we will obtain four new holders depending on the possibility of bonding and the new rings that will be formed as a result of subtracting four hydrogen molecules (H2), namely: Tweezer compound (I), is formed by two pentagon rings, Tweezer compound (II), is formed by a pentagon and butagon ring, Tweezer compound (III), is formed by a hexagonal and pentagon ring, Tweezer compound (IV), is formed by a hexagonal and butagon ring. The theoretical calculations of all compounds were performed using Gaussian 09, version D.01 and the combination of the interchange of (Beeck) (B3) and the LeeYang-Parr function (LYP) as the correlation function (B3LYP) and the basis set (6- 311G) to find the stable and equilibrium molecular form and find the energy of the higher molecular orbital occupied (HOMO) and the energy of lower unoccupied molecular orbital (LUMO). used the basis set (6-31G) to calculate the thermodynamic functions. The theoretical results of the new Tweezer compounds showed that the Tweezer compound (I) is more stable than the rest of the other compounds depending on the following: total energy, the energy of the higher molecular orbital occupied (EHOMO) and gap energy, the results for Tweezer compound (I) were) total energy = -2606.83372937 a.u), ( EHOMO = -5.39820 eV),( energy gap = -2.87407 eV).To know the possible applications of the new tweezer compounds, the electronic contributions of the tweezer compound (I) were calculated to HOMO and LUMO molecular orbitals, to show the possibility of receiving or influencing the aromatic compounds by means of electrostatic or hydrogen bonding forces. Accordingly, four polycyclic aromatase compounds (PAHs) with known carcinogenic activity have been suggested: pyrene, Benzo [ghi] perylene, ovalene and hexabenzocoronene. For the purpose of conducting the process of receiving or influencing these compounds with the tweezer compound (I), the electronic contributions to them were found and the electronic properties were found from the values of the total energy, the higher electron occupied molecular orbital energy (HOMO), the non-electron occupied molecular orbital energy (LUMO) and the energy gap. The calculations showed that the binding energy between the tweezer compound (I) and the aromatic compounds are of the electrostatic type, based on the computed distance between the tweezer compound (I) and the four aromatic compounds, as the binding energy ranged between(-4.4764381 to -6.4928615 KJ.mol-1 ) which is less than the hydrogen bond energy whose value ranges from(-30 to -5 KJ.mol-1 ) .The calculated distances between the tweezer compound (I) and the four aromatic compounds range between ) 3.44665 to 3.14508(A˚(( . It is possible to take advantage of the energy value of each of the orbitals, the energy of the higher molecular orbital occupied by the electron (HOMO) and the energy of the molecular orbital that is not occupied by the electrons (LUMO) to obtain some other physical properties of the molecule such as (ionization potential, electron affinity, Hardness, Softness, Electronegativity, Chemical potential, Electrophilicity), These properties of the compound were found (Tweezer compd. (I)). Tweezer compound (I) contains a spherical cavity. The ball size law was used to calculate the volume of the bore (V), depending on the radius. V) (tweezer compound (I)) equals 3.73640 ????????3 . This adds an important application in the ability to easily isolate nanoscale particles. Choosing to apply tweezer compound (I) to PAHs, especially those known to be carcinogenic because they contain a "pi zone" as an example of the importance of tweezer compounds in medical applications, as a practical example of removing aromatic compounds that cause cancer, by creating electrostatic bonding energy between the hydrogen atom of the aromatic compound (PAHs) and the benzene ring of the tweezers compound. Another application is to use the cavity of tweezers to isolate harmful particles, toxic compounds, or organisms from bacteria or viruses.

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