Journal of Kufa for Chemical Sciences最新文献

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Synthesis, Characterization and Spectral Studies of Some Metal Ions Complexes with New Schiff Base Ligand Derived From 6- Amino Penicillanic Acid And Biological Screening Study For The Pt(II) Complex. 6- 氨基青霉烷酸衍生的新希夫碱配体与一些金属离子配合物的合成、表征和光谱研究,以及铂(II)配合物的生物筛选研究。
Journal of Kufa for Chemical Sciences Pub Date : 2023-12-10 DOI: 10.36329/jkcm/2023/v3.i1.11835
Wafa Abdel-Kazem Katie, M. A. Hadi
{"title":"Synthesis, Characterization and Spectral Studies of Some Metal Ions Complexes with New Schiff Base Ligand Derived From 6- Amino Penicillanic Acid And Biological Screening Study For The Pt(II) Complex.","authors":"Wafa Abdel-Kazem Katie, M. A. Hadi","doi":"10.36329/jkcm/2023/v3.i1.11835","DOIUrl":"https://doi.org/10.36329/jkcm/2023/v3.i1.11835","url":null,"abstract":"        The complexes of Co(II), Ni(II), Cu(II), Zn(II), Cd(II), Hg (II) and Pt(II)were prepared from the complexation reaction between the new Schiff base ligand and Selected Metal Ions. Ligand was derived  from the condensation  reaction of Oxo(4-(pyridin-2-yl)phenyl) methyline, 4-amino  antipyrine, and  6-amino pencillic acid ). The ligand and its complexes  were characterized by C.H.N elemental analysis, Uv-Vis, FT-IR, and molar conductivity, Atomic absorption, magnetic moment measurements and mass spectra studies. The results of this studies show the coordination sites for the ligand with the metal ion were to be through oxygen, nitrogen atoms of 6-amino pencillic acid, and the nitrogen atom of 4-amino  antipyrine. The complexes were found to have the general formula [(M)(L)2]Cl2 where M = Co(II), Ni(II), Cu(II), Zn(II), Hg(II), and Cd(II), except the [Pt(L)Cl]Cl. The electronic spectral and magnetic measurement data indicated that the complexes exhibited octahedral geometry, except the Pt(II) complex suggested a square planar geometry around the central metal ion. The ligand forms shape as natural tridentate manner. The biological activity results showed the inhibitory effect for platinum(II) the complex. In this study the cytotoxicity of Pt(II) complex on human colon cancer cell line LS 174 T CRC was investigated and  African green monkey kidney cells normal cells were MTT assay. The metal complexes showed selective cytotoxicity against colorectal, this metal Complex excelled in halting proliferation of LS 174 T CRC cancer cells line with median inhibitory concentration (IC50) values of Pt(II) complex. The results indicate undoubtedly the possibility of using them as antitumor drugs in the field of pharmacy colon cancer.","PeriodicalId":489104,"journal":{"name":"Journal of Kufa for Chemical Sciences","volume":"5 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138982187","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Study the Effect of RAGE and HMGB1 Genes Polymorphism on Breast Cancer Susceptibility in Iraqi Female 研究伊拉克女性 RAGE 和 HMGB1 基因多态性对乳腺癌易感性的影响
Journal of Kufa for Chemical Sciences Pub Date : 2023-12-10 DOI: 10.36329/jkcm/2023/v3.i1.11996
Sh. Zaki, A. Alta'ee, Mushtaq K. Mohammed
{"title":"Study the Effect of RAGE and HMGB1 Genes Polymorphism on Breast Cancer Susceptibility in Iraqi Female","authors":"Sh. Zaki, A. Alta'ee, Mushtaq K. Mohammed","doi":"10.36329/jkcm/2023/v3.i1.11996","DOIUrl":"https://doi.org/10.36329/jkcm/2023/v3.i1.11996","url":null,"abstract":"Background: The most frequent malignancy among women globally is breast cancer (BC). Breast lobules or ducts are the genesis of breast cancer, which is an uncontrolled development of epithelial cells. High mobility group protein box 1 (HMGB1) possesses both pro- and anti-tumorigenic bioactivities, which contribute to its complicated function in carcinogenesis. Damage associated Molecular Pattern molecules (DAMPs) generated following tissue injury include HMGB1, many S100 proteins, and others. RAGE is thought to be a receptor for these moleculAim of the study: The study was aimed to find the High mobility group protein box 1 (HMGB1) HMGB1 (rs1412125) and Receptor for Advanced Glycation End Products RAGE (rs1800624) genotypic and allelic frequency. Using Allele Specefic polymerase chain reaction AC-PCR and Polymerase Chain Reaction Restriction Fragment Length Polymorphism RFLP-PCR in BC patients and healthy controls, as well as their correlation with breast cancer susceptibility.Material and methods :. Samples were taken at Marjan Cancer Hospital, Babylon. HMGB1 rs1412125 and RAGE rs18400624 polymorphisms were evaluated for patients and controls using the PCR-RFLP and allele-specific polymerase chain reaction (AS-PCR) method. SPSS software was used to perform the statistical analysis.Results : There is non-significant difference between patients and control in TT, AA, and TA genotyping of (rs1800624) in RAGE gene (p=0.22), non-significant difference between patients and control in TT, TC, and CC genotyping of (rs1412125) in HMGB1 gene (p=0.09).Conclusion : Our results showed no association between HMGB1 polymorphisms and RAGE and breast cancer risk.","PeriodicalId":489104,"journal":{"name":"Journal of Kufa for Chemical Sciences","volume":"61 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138982464","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Review of Analytical Methodologies for the Determination of Metronidazole and Trimethoprim in Environmental Samples 环境样本中甲硝唑和甲氧苄啶的分析方法综述
Journal of Kufa for Chemical Sciences Pub Date : 2023-12-10 DOI: 10.36329/jkcm/2023/v3.i1.14080
J. Jamur, Wasan Abdulwahid Jasim, Ala’a Abdullwahid Jasim
{"title":"Review of Analytical Methodologies for the Determination of Metronidazole and Trimethoprim in Environmental Samples","authors":"J. Jamur, Wasan Abdulwahid Jasim, Ala’a Abdullwahid Jasim","doi":"10.36329/jkcm/2023/v3.i1.14080","DOIUrl":"https://doi.org/10.36329/jkcm/2023/v3.i1.14080","url":null,"abstract":"Antibiotics are essential for treating infectious diseases, but their overuse and adverse effects are raising concerns about global public health. The pervasiveness of antibiotic contamination in aquatic environments has drawn increased attention in recent years. The primary concern regarding the release of antibiotics into the environment is the potential for microorganisms to become resistant to antibiotics. This review article summarizes the analytical methods used to determine the presence of trimethoprim and metronidazole in various environmental samples. These antibiotics have traditionally been analyzed using tandem mass spectrometry or high-performance liquid chromatography coupled to mass spectrometry; fluorescence or ultraviolet detection has been used less frequently. An essential step before liquid chromatography analysis is preparing the sample for extraction and analysis. This helps to eliminate interferences, stop the matrix effect, and pre-concentrate the target analytes. Consequently, the purpose of this work is to provide an overview of the most widely used techniques for the determination of metronidazole and trimethoprim in environmental samples.","PeriodicalId":489104,"journal":{"name":"Journal of Kufa for Chemical Sciences","volume":"8 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138982218","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis ,Characterization and Antioxidant Activity of Schiff base derivatives from [6,6'-(1,4-phenylene)bis(4-(4-aminophenyl) pyrimidin)] 6,6'-(1,4-亚苯基)双(4-(4-氨基苯基)嘧啶)席夫碱衍生物的合成、表征和抗氧化活性
Journal of Kufa for Chemical Sciences Pub Date : 2023-12-10 DOI: 10.36329/jkcm/2023/v3.i1.12098
Halah Hameed Majeed, A. F. Abbas
{"title":"Synthesis ,Characterization and Antioxidant Activity of Schiff base derivatives from [6,6'-(1,4-phenylene)bis(4-(4-aminophenyl) pyrimidin)]","authors":"Halah Hameed Majeed, A. F. Abbas","doi":"10.36329/jkcm/2023/v3.i1.12098","DOIUrl":"https://doi.org/10.36329/jkcm/2023/v3.i1.12098","url":null,"abstract":"Two Hetreterocyclic compounds prepared from condensation reaction of Bis chalcone([3,3(1,4-phenylene)bis(1(4-aminophenyl)prop-2-en-1-one]with thiourea and urea By condensing a novel six-member heterocyclic (pyrimidene ring) with the suitable aromatic, new substituted azomethines of (o, m, and p) hydroxybenzaldehyde with heterocyclic substituents were created. By using NMR and FTIR spectroscopy, the novel heterocyclic compounds and these derivatives of schiff bases were identified.A DPPH free radical scavenging assay was performed on the synthesized compounds, and the heterocyclic substituted thiol group and its Schiff base derivative demonstrated remarkable antioxidant activity.\u0000 ","PeriodicalId":489104,"journal":{"name":"Journal of Kufa for Chemical Sciences","volume":"54 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138982417","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Lack of association between IGF2BP2 genes (rs4402960 and rs11705701) polymorphism and type two diabetes mellitus. IGF2BP2 基因(rs4402960 和 rs11705701)多态性与二型糖尿病之间缺乏关联。
Journal of Kufa for Chemical Sciences Pub Date : 2023-12-10 DOI: 10.36329/jkcm/2023/v3.i1.12000
Thualfakkar Ajeena, M. Al-Gazally, Ali AL Bayati
{"title":"Lack of association between IGF2BP2 genes (rs4402960 and rs11705701) polymorphism and type two diabetes mellitus.","authors":"Thualfakkar Ajeena, M. Al-Gazally, Ali AL Bayati","doi":"10.36329/jkcm/2023/v3.i1.12000","DOIUrl":"https://doi.org/10.36329/jkcm/2023/v3.i1.12000","url":null,"abstract":"Background: The most frequent illness in the world is chronic disease. Diabetes type 2 is mostly caused by autoimmune disease, -cell dysfunction, and obesity. IGF2BP2 is one of the genes related to T2DM identified through GWAS (Genome-Wide Association Studies), and it has been confirmed in a range of ethnic groups.Material and methods : The samples were collected from AL Sadder Hospital's core medical city in Najaf. rs 4402960 and 11705701 of IGF2BP2 Allele-specific polymerase chain reaction T-ARMS-PCR was utilized to measure polymorphism in patients and controls (case_ control study). The statistical analysis was carried out using SPSS software.Results : There is no difference between patients and control subjects in the genotyping of (rs4402960) in the IGF2BP2 gene (p>0.05), and there is no difference between patients and control in the genotyping of (rs11705701) in the IGF2BP2 gene (p>0.05).Conclusion : Our results showed no association between The IGF2BP2 gene Polymorphisms (rs4402960 G/T and rs11705701 G/A) and T2DM patients.","PeriodicalId":489104,"journal":{"name":"Journal of Kufa for Chemical Sciences","volume":"607 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138982917","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis, Characterization of New Metal Complexes of Ligand [3-(4-hydroxyphenyl)-2-(3-(4-methoxybenzoyl) thio ureido)propanoicacid] (HMP ) and Study of the Biological Activity 配体[3-(4-羟基苯基)-2-(3-(4-甲氧基苯甲酰基)硫脲基)丙酸](HMP)的新金属配合物的合成、表征和生物活性研究
Journal of Kufa for Chemical Sciences Pub Date : 2023-12-10 DOI: 10.36329/jkcm/2023/v3.i1.12099
Adel Muhsen Zaml, Murtadha Abd, Ali Farhan
{"title":"Synthesis, Characterization of New Metal Complexes of Ligand [3-(4-hydroxyphenyl)-2-(3-(4-methoxybenzoyl) thio ureido)propanoicacid] (HMP ) and Study of the Biological Activity","authors":"Adel Muhsen Zaml, Murtadha Abd, Ali Farhan","doi":"10.36329/jkcm/2023/v3.i1.12099","DOIUrl":"https://doi.org/10.36329/jkcm/2023/v3.i1.12099","url":null,"abstract":"A new ligand [3-(4-hydroxyphenyl)-2-(3-(4-methoxybenzoyl)thioureido)propanoic acid]   (HMP) was synthesized by reaction of Tyrosine and, 4- methoxy benzoylisothiocyanate ,  and used for the synthesis of a series of new metalcomplexes  cobalt(II) Nickel (II), Copper (II), Zinc(II) , Palladium(II),  Cadmium (II), mercury (II). The mineral complexes were characterized by molar conductivity, elemental analyzes (C.H.N.S), and spectroscopic techniques: electronic spectral UV-Vis , infrared FT-IR , 1H- NMR, 13C-NMR and magnetic properties . The results confirmed that the ligand (HMP) behaves as a Bidentate and coordinates with the metal ion via the oxygen atom of the carboxyl group and an nitrogen atom of the amine group. The antimicrobial properties of all newly synthesized compounds were also demonstrated against the bacterial pathogenic organisms Escherichia coli (G-) and Staphylococcus aurous (G+) by the agar-well diffusion technique. These complexes are more effective against bacteria compared to the Amoxicillin  antibiotic. The aim of this study describes the characterization and synthesis of the new ligand (HMP) derived from Tyrosine and its metal complexes with knowing their effect on selected bacteria.","PeriodicalId":489104,"journal":{"name":"Journal of Kufa for Chemical Sciences","volume":"9 7","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138982211","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
New spectrophotometric determination sulfamethaxazole drug via various analytical techniques in pharmaceutical formulation 通过药物制剂中的各种分析技术测定磺胺甲噁唑药物的新型分光光度法
Journal of Kufa for Chemical Sciences Pub Date : 2023-12-10 DOI: 10.36329/jkcm/2023/v3.i1.11844
Dalia M. Jameel, N. K. Abood
{"title":"New spectrophotometric determination sulfamethaxazole drug via various analytical techniques in pharmaceutical formulation","authors":"Dalia M. Jameel, N. K. Abood","doi":"10.36329/jkcm/2023/v3.i1.11844","DOIUrl":"https://doi.org/10.36329/jkcm/2023/v3.i1.11844","url":null,"abstract":"The first method on the oxidative coupling Amoxixilin reaction with 2,4- dinitrophenyl hydrazine and Sodium Iodate diluted to produce a soluble red-Orange dye product was devised to estimate the Amoxicillin in bulk and pharmaceutical preparation. The concentration range is between 1 and 50 g/mL. Beer's law is met by the product in terms. With a molar absorptivity of 6.2×103L.mol-1.cm-1 and a correlation coefficient of 0.9995, Sandell's sensitivity is 0.059g.cm-2 at 475 nm. A second technique for determining a trace amount in an aqueous solution product is called cloud point extraction (CPE), and it is based on measurements made with a UV-visible spectrophotometer at a wavelength of 480 nm. The correlation coefficient was 0.9996 and the Beer's law concentration range was 0.25–6 g/mL The molar absorptivity was 103623.79 L.mol-1.cm-1. Pre-concentration 25, detection of limit 0.023 µg/mL. The distribution coefficient (D) was 158.6, and enrichment factor was 28.35. The last method is flow injection analysis, which is straightforward to estimate. The Beer's law concentration range was 2-150 µg / mL, Sandell's sensitivity is 0.13 µg.cm-2 at 475 nm, with a molar absorptivity of 2.8×103 L.mol-1.cm-1 and correlation coefficient was 0.9996, it is successfully used for drug estimation. Qualities in a straightforward situation or pharmacological formulations. \u0000  \u0000  \u0000  \u0000 ","PeriodicalId":489104,"journal":{"name":"Journal of Kufa for Chemical Sciences","volume":"59 15","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138982494","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Identification of Some Specific Hematological Indicators as Bladder Cancer Risk Factors 确定某些特定血液学指标为膀胱癌风险因素
Journal of Kufa for Chemical Sciences Pub Date : 2023-12-10 DOI: 10.36329/jkcm/2023/v3.i1.13378
Sadeq Mohammed, Mohammed Mezher Hussein
{"title":"Identification of Some Specific Hematological Indicators as Bladder Cancer Risk Factors","authors":"Sadeq Mohammed, Mohammed Mezher Hussein","doi":"10.36329/jkcm/2023/v3.i1.13378","DOIUrl":"https://doi.org/10.36329/jkcm/2023/v3.i1.13378","url":null,"abstract":"Background: Our study’s objectives were measuring the levels of blood glucose BG, blood pressure BP, glomerular filtration rate GFR, body mass index BMI and creatinine in the blood of patients with bladder cancer in order to control the development of a relationship between those hematological parameters in the case of bladder cancer BC. \u0000      Methods and Results: Blood samples were collected during the application of this work on 155 participants diagnosed with BC were admitted to medical –Baghdad city and Al-Kindey teaching hospital. All the participants were with the age ranged (25-70 years).There are many people who have been excluded because of their young age under 20 years old and those who have any type of common cancer, which was outlined as any malignant neoplasm, including those with hematological or lymphoid origin and other tissues associated with them. All the participants wearing light clothing and no shoes in order to measure their height and weight. BP was recorded using a standard mercury sphygmomanometer after an average of 2 readings taken with a 10 min interval. Creatinine and GFR and DM also were measured meanwhile. \u0000 It was noticed through the results that there is a high percentage of patients who are of advanced ages about 67(43.2%) with age ≥65 years, and those with high weights BMI ≥ 30 were 64(41.3%). After conducting pathological analyzes of blood samples, it was found that patients were having high levels of sugar, especially those with long duration of diabetics type 2, as well as high blood pressure, creatinine levels, and low GFR levels, and it was clear that males outperformed females in the height of all measurements, which is the dominant characteristic in this research. \u0000 ","PeriodicalId":489104,"journal":{"name":"Journal of Kufa for Chemical Sciences","volume":"644 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138982830","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Evaluation the levels of eosinophil and some electrolytes in Allergic Rhinitis 评估过敏性鼻炎患者的嗜酸性粒细胞和某些电解质水平
Journal of Kufa for Chemical Sciences Pub Date : 2023-12-10 DOI: 10.36329/jkcm/2023/v3.i1.12259
Bushra jihad sabbar, Zenaa Abbass, Tariq Hussein Mgheer3
{"title":"Evaluation the levels of eosinophil and some electrolytes in Allergic Rhinitis","authors":"Bushra jihad sabbar, Zenaa Abbass, Tariq Hussein Mgheer3","doi":"10.36329/jkcm/2023/v3.i1.12259","DOIUrl":"https://doi.org/10.36329/jkcm/2023/v3.i1.12259","url":null,"abstract":"  It is known in the analysis of allergic rhinitis increase the concentration of Ig-E also eosinophil in patients with allergic rhinitis . It was discovered to play a role in an inflammatory reaction. Certain electrolytes may have a role in allergic rhinitis like Magnesium is a crucial element that facilitates lung constriction relief, while no significantly difference in levels of potassium.","PeriodicalId":489104,"journal":{"name":"Journal of Kufa for Chemical Sciences","volume":"7 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138982184","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Electronic Structure, Reactivity, and Magnetic Properties of Paramagnetic Tetrahedral Dinuclear Cobaltous Complexes 顺磁性四面体二核钴配合物的电子结构、反应活性和磁性能
Journal of Kufa for Chemical Sciences Pub Date : 2023-12-10 DOI: 10.36329/jkcm/2023/v3.i1.12067
Ali K. Almansori, Falah S. Abd-Suhail
{"title":"Electronic Structure, Reactivity, and Magnetic Properties of Paramagnetic Tetrahedral Dinuclear Cobaltous Complexes","authors":"Ali K. Almansori, Falah S. Abd-Suhail","doi":"10.36329/jkcm/2023/v3.i1.12067","DOIUrl":"https://doi.org/10.36329/jkcm/2023/v3.i1.12067","url":null,"abstract":"The tetrahedral paramagnetic di-cobaltous complex is an important class of coordination compounds that have many applications in various fields such as catalysis, single molecular magnet (SMM), and spintronics[1], using BP86 functional[24] with def2-TZVP[25], basis set, while the broken symmetry theoretical method was conducted by B3LYP functional, the reactivity of the synthesized paramagnetic di cobaltous [Co2LI2OH] + complex[2] can be enhanced by the lowering HOMO-LUMO gap effect of oxo bridging ligand instead hydroxo ligand, also from the different theoretical approaches for calculating the exchange coupling constant to tetrahedral paramagnetic di-cobaltous complex, we found that the best approach was achieved by Noodlman treatment[3], also for such chemical environments the best calculated spin population was generated by Mulliken spin analysis.","PeriodicalId":489104,"journal":{"name":"Journal of Kufa for Chemical Sciences","volume":"673 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138982613","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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