حقائق واحصائيات


الكادر


الفروع العلمية


التخصصات


طلبة الدراسات الاولية


طلبة الدراسات العليا

ألمزيد...     

حقائق واحصائيات


الكادر


الفروع العلمية


التخصصات


طلبة الدراسات الاولية


طلبة الدراسات العليا

ألمزيد...

 
 

أطاريح الماجستير لفرع الكيمياء التطبيقية

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 𝑛𝑚3 . 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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