JOURNAL OF KUFA FOR CHEMICAL SCIENCES

Acute lymphocytic leukemia (ALL) disease is one of complex biochemical disorders which has various inflammatory in human being especially children. The recent work was carried out and designed to investigate and assess the levels of liver enzymes and lipid profile in ALL patients which underwent chemotherapy according to blood group and age factors. Highly significant increasing (P<0.0001) was recorded in the levels of glutamate–oxaloacetate transaminase (GOT), glutamate pyruvate transaminase (GPT), alkalaine phosphatase (ALP), triglycerides (TG), total cholesterol (TC), high density lipoproteins (HDL), non- high-density lipoproteins (Non-HDL), low density lipoproteins (LDL) and very low density lipoproteins (VLDL) in ALL patients compared with control group according to blood group and age factors. So these biochemical parameters are considered as markers for following the severity of ALL disease.

New pyrimidine derivatives (hexahydropyrimidine), 4-(2,4-dichlorophenyl)-6-phenyl-1,3-hexahydropyrimidine-2-amine (NH), and 6-(3-aminophenyl)-4-(2,4-dichlorophenyl)-1,3-hexahydropyrimidine-2-amine (Nm-NH2) were synthesised and identified with FT-IR, Mass and H1-NMR spectra. The new hexahydropyrimidine (NH, Nm-NH2) applied to the parasite echinococcosis granulosus gave a different result. The prepared compounds' inhibition ratio was NH (78.9%) and Nm-NH2 (66.6%).

Anew ligand N-((3,5-dichloropyridin-2-yl)carbamothioyl) pivalamide (L2) was synthesized by reaction of benzoyl isothiocyanate with 2-Amino-3,5-dichloropyridine by using acetonitrile as a solvent , The ligand was characterized by elemental analysis apparatus , FT-IR , 13C,1H-NMR spectra , UV-Visible, , some transition metals complexes(Co , Ni , Cu , Zn ) of this ligand was prepared and characterized by FT-IR , UV-Visible spectra , conductivity measurements , magnetic susceptibility ,From results the proposed molecular structure for these complexes as obtained , the following formula where M+2 = Co , Cu , Ni , Zn [M :L2] [1 :1] Tetrahedral and [M:L2] [1:2] Octahedral . The biological activity of the prepared compounds was measured and tested as antifungals against (Candida albicans, Aspergillus Niger) and using DMSO as a control solution The results showed that the prepared compounds possess antifungal activity at different concentrations, The effectiveness of the prepared ligands and their complexes with Zn(ll) ions were studied as anti-elevation of T3 and T4 thyroid hormones induced by thyroxine, and the results showed a decrease in T3 and T4 hormones after (20) days of taking these compounds.

The research includes synthesized some thiazinane (hexahydrothiazine) derivatives were synthesized from the reaction of chalcons with thiourea. FT-IR, Mass, and H1-NMR spectra identified the compounds. The new thiazinane derivatives (SH, Sm-NH2, Sp-NH2, Sp-NO2) applied on breast cancer (MCF-7) gave a different results. The inhibition ratio of prepared compounds according to the type of the substituted group where the thiazinane derivative with an amino group on meta position (Sm-NH2) was (75%). The thiazinane derivative without a substituted group (S.H.) was (47% ), then with an amino group on para position (Sp-NH2) was (26%), and with a nitro group on para position (Sp-NO2) was (5%).

Recently, bismuth oxyhalide materials have established more and more interest as shows potential photocatalysts because their exceptional layered structures give them with attractive physicochemical properties, and the photocatalysis process was used to remove the polluting indigo carmine dye from industrial wastewater. Where some factors affecting the treatment process were studied, including the effect of the amount of catalyst, pH, temperature and the initial concentration of the dye. All factors affecting the removal of indigo carmine dye in the presence of ultraviolet radiation lamp of wavelength 245 nm have been studied. Then study the thermodynamic properties of dye adsorption and find the values of thermodynamic functions (ΔH, ΔS, ΔG). The adsorption isotherms were determined by the Langumire-Freundlich equations, where the adsorption of the dye on the surface of the (BiOCl, BiOI) compounds was subject to freundlich equation, (BiOBr) was subject to langumire equation. The kinetics of dye adsorption was also studied by applying the pseudo first and second order equations,

New series complexes of Cu(II), Ni(II), Zn (II) and Co(II) ions were derived from the novel thiosemicarbazone compound, (E)-4-methyl-3-nitro-N-(2-(1-(pyridin-2-yl)ethylidene)hydrazine-1-carbonothioyl) benzamide (MNEC-H) ligand was prepared in three steps. The step one the reaction between acetyl pyridine with hydrazine hydrate at room temperature to obtain (E) - 2 -(1 -hydrazonoethyl)pyridine. The Second step 3-nitro 4- methy- benzoyl chloride was refluxed with potassium thiocyanate in acetonitrile solvent forming 3-nitro 4- methy- benzoyl isothiocyanate. The third step of the reaction is summarized by the refluxing the mixture of (E) - 2 -(1 -hydrazonoethyl) pyridine and 3-nitro 4- methy- benzoyl isothiocyanate in acetonitrile solvent to form the desired free ligand (MNEC-H). Two types of the element complexes were synthesized and investigated, the chloride as well as acetate compounds through employing different mole ratios 1:1 (L:M) and 2:1 (L:M) whereas L and M represent the (MNEC-H) ligand and metal salt respectively via using metal chloride and metal acetate salts to gaining [(MNEC-H)MCl]Cl and [(MNEC-H)2M] structures. The various available spectroscopies and techniques were used to characterize and confirm the formula of the free ligand (MNEC-H) and its element compounds. 1HNMR, 13CNMR, IR, UV-vis, mass spectra, CHNS, magnetic effective moment, conductance values. The cyclic voltammetry of the prepared element complexes were recorded in DMSO solvent to investigate their redox behavior. The Cu(II) compounds showed quasi reversible process at the cathodic potential whereas the Co(II) and Ni(II) complexes displayed one irreversible system at the oxidative potential. All the employed techniques and measurements confirmed together that the chloride compounds arranged as tetrahedral four coordinated [(MNEC-H)MCl]Cl in neutral formula whereas the acetate compounds adopted octahedral six coordinated [(MNEC-H)2M] in neutral structure too.

In this study, Petroselinum Crispum (Parsley) leaves were extracted by methanol 70% solvent using the maceration extraction method. The extract was examined as a green corrosion inhibitor for carbon steel alloy (C1010) in 0.1 M Hydrochloric acid at different concentrations and temperatures. The extract showed the highest inhibition efficiency of 97.12% at 25
. The inhibitor’s efficiency was reduced when the temperature increased. Kinetic parameters (Ea, ΔH*, and ΔS*) were calculated. The corrosion reaction was repressed by the extract, because the energy barrier of the corrosion reaction was increased, and it became an endothermic process. On the other hand, antioxidant activity was also studied by in vitro DPPH assay through different concentrations. Thus, the methanol extract of Petroselinum Crispum (Parsley) can be used as a green corrosion inhibitor because it doesn’t contain toxic compounds.

In this work include synthesis some of 2-(4,5-dihydro-1H-pyrazol-1-yl)-1,3-benzothiazole derivatives were synthesized from 2-hydrazino-1,3-benzothiazole with dicarbonyl compounds, compounds (8 and 9) synthesis with microwave assistance. The biological activity for some compounds (2-5) were studied against (gram +ve) bacteria, (gram –ve) bacteria; and antifungal activity against and the data obtained show that all compounds show activity against all bacteria and candida. The prepared compounds were characterized by FT-IR, 1HNMR and also studied the physical properties.

One of the most prevalent transformations in organic chemistry is the production of amide bonds by chemical processes. Seven new long alkyl amide compounds were produced in this study using a direct reaction. The reaction of 3,3'-(1,4-phenylene) bis(1-(4-aminophenyl) prop-2-en-1-one) with various carboxylic acids (mono and di) in the presence of a suitable solvent and an amount of sodium hydroxide yielded four novel compounds (B1-B4). The remaining three amide derivatives (B5, B6, and B7) were prepared under the same conditions by reacting new compounds (B2, B3, and B4) with acrylamide. All the new prepared compounds were characterized by using FT-IR, 1HNMR, and mass spectroscopy, and they confirmed the expected structures of all the derivatives.

New azo dyes ligand of substituted amines para-toluidin and 3-aminophenol with 3-tert-butyl-4-hydroxyanisol and their complexes with Ni(II) and Cu(II) were synthesized and characterized using (1HNMR, 13CNMR, mass spectrometry, FT-IR, Uv–Vis, molar conductance, elemental analysis, magnetic moment and thermogravimetric analysis). The spectral,studies and analytical,data revealed that the azo dyes,ligands act as bidentate ligands via deprotonated OH and nitrogen atom of the azo group. The low molar conductance data detected that all the metal complexes were non-electrolytic in nature, as well as showed that the reaction ratio was 1:2 metal:ligand and had paramagnetic properties for all metal complexes and had an octahedral geometrical shape for Ni complexes and tetrahedral for Cu complexes. Thermal,analysis,studies showed the decomposition,of the complexesain two to three steps with the weight loss of hydratedawater in the first,decomposition,stepafollowed by the coordinated,water and ligand molecules

The recent research in the polymers area concern with the synthesis of aliphatic biodegradable polyester- based polymers with long chain which can be degraded usefully. The aliphatic based polyester was receiving special attention due to sensitivity to degradation. A new series of long-chain linear co-polyesters with up to 20 carbon atoms were designed and synthesized in this study by condensation polymerization catalyzed by p-toluene sulfonic acid using toluene as solvent.
Copolyesters containing various structure aliphatic diols were prepared as decan-1,10-dioic acid-co–cis-buten-2,4-dioate (P1), dodecane-1,10-dioic acid -co-1,10- decanedioate (P2), 1,4- cyclohexane-co-1,4-butandicarboxylate (P3) and 1,4-cyclohexan-co-1,10-decancarboxylate (P4).
The linear copolyesters were characterized by variety of techniques such as FTIR, 1H- and 13C-NMR spectroscopy. The average molecular weight (Mw), number average molecular weight (Mn) and poly dispersity index for these poly esters were measured by gel permeation chromatography techniques, The influence of the different polyesters middle block on microstructure, the structures and crystallization properties of the copolymers was investigated. P1 copolymer showed the highest weight average molecular weight (Mw) of 17771 g/mole and copolymer P2 showed number average molecular weight (Mn) 5484 g/mole , while poly disparity index(PDI) was 3.78 for copolymer P1 .

Interpenetrating polymer network Hydrogels (J1-J6) were synthesized from gelatin, acrylamide and polyethylene glycol by chemical crosslinking using Gluteraldehyde and bisacrylamide, the hydrogels were loaded with levofloxacin. The slow release of levofloxacin was studied by using UV spectroscopy at temperature 37˚C and with different pH (distilled water pH=6.8, SGF pH=1.2 and in SIF pH=8.2), The swelling of polymers in these solutions was also studied. The results exhibit that the pH has great effect on swelling ratio of the IPN hydrogels and release rate of levofloxacin, the hydrogels were showed high swelling ratio and fast release rate with low and high values of pH (SGF and SIF) compared with neutral solution. The toxicity of hydrogels was studied which is shown that the prepared hydrogels are nontoxic. The hydrogels –levofloxacin delivery were followed as antibacterial activity by Disk Diffusion Testing on Mueller-Hinton Agar and Broth microdilution methods over a period of four consecutive days Against two types of bacteria (Streptococcus mitis and Escherichia coli). The results showed the continuous release of the Levofloxacin from the polymers with effectiveness as an antibacterial for four consecutive days.

Thermodynamic study for investigation of the biosorbent from Pine trees, sawdust (SD) and sawdust veneered with magnesium oxide (MgO), (SD/MgO) Nanoparticles for removal of Cationic (Methyl blue, MB) and anionic (Congo Red CR) dyes in a batch process. Characterizations for each biosorbents were done by FTIR, SEM, and XDR. Various parameters for batch equilibrium experiments preformed to examine the affinities for adsorption process for each dyes on each adsorbents. The data results in the kinetics study are used to fit with the Pseudo-first order and Pseudo-second order rate law, and intra particle diffusion models. The Freundlich, Langmuir, and Temkin, were applied as isothermal models to describe the adsorption convergence. The Data revealed that MB and CR dyes adsorption onto SD and SD/MgO has a good agreement with pseudo-second order and Freundlich. The KF values for MB and CR dyes adsorption onto SD and SD/MgO varied between [31.88-67.19, 44.05-46.63, 276.3-864.6, and 57.74-170.69]mlg-1, while KL values varied between [0.008-0.004, 0.012 -0.008, 0.012-0.005, and 0.009-0.032]mlg-1 at the three temperatures respectively. The values of thermodynamic parameters (ΔG, ΔH, ΔS) were calculated at 25, 35, 45 ±1ºC. The negative values for ΔG means that the adsorption processes spontaneous and has endothermic nature which proved by the positive value of ΔH that control the chemisorption adsorption in spite of increasing temperature, while the randomness at the surface of the adsorabt on the adsorbent surface due to the positive of the ΔS.

Lead element is used in many industrial products, including alloys, because of its importance in improving physical and chemical properties. In this study, a sensitive, simple, economical, fast and accurate, an indirect spectral analytical method was developed using Eriochrome Black T as chelating agent without use of separation and isolation to estimate the amount of lead in the Al-Zn-Pb ingot by using UV-Visible spectrophotometer instrument. The accuracy of the method was 99.83 ± 0.13 and the limits of detection (LOD) and qualification (LOQ) were 0.0050 and 0.0153 μg ml-1 respectively. The developed method can be applied to water, biological, environmental and fuel sample.

A three hypothetical derivatives are derived from β-diketones were studied in this work. The molecules were substituted with different arbitrary selected substituents of wide range of Hammett constants that span the negative through the positive sigma para values range. To determine the tautomeric form of the molecules the non-substituted molecule was freely geometry optimized in the gas phase at the MP2/6-311++G(d,p) and the ωB97XD /6-311++G(d,p) levels of theory. The substituted molecules were then subjected to geometry optimization at and the ωB97XD /6-311++G(d,p) level of theory. The optimized structures used to calculate the 1H NMR chemical shifts at the MPW1PW91/6-311+(2d,p) level of theory.2
Our calculations show that the enolic form enaminothione is the most stable tautomer than others derivatives of these molecules. The cis isomer of the di enaminothione is most stable than the trans isomer. A fair correlation between the energy of the intra molecular hydrogen bond (R2= 0.756) expressed by the N…S distance and the 1H chemical shift of the N-H…S proton.

Diabetes is a global problem and its cause is either a deficiency in insulin secretion (T1DM) or a defect in insulin action (T2DM). Type 2 diabetes is the most common, accounts for about 90-95% of all diagnosed patients of diabetes, and is caused by a defect in insulin action as a result of tissue resistance to the insulin secreted by the pancreas and sometimes Its secretion is also lacking.
Materials and methods: The study involved 37 T2DM patients and 37 control .Thyroid hormones(T3, T4, TSH) were measured by enzyme-linked immunosorbent assay (ELISA) by using the Vidas device. Total cholesterol(TC), triglycerides(TG), and high-density lipoprotein (HDL) were measured by a spectrophotometer by using UV-vis device. Very low density lipoprotein(VLDL) and low density lipoprotein(LDL) calculated from the equations.
Aim: Study the effect of T2DM on the thyroid gland and its hormones, on the kidneys and its functions, and lipid profile by measuring the concentration of some biochemical markers in the serum of patients and comparing it with their levels in healthy controls. Also, investigation from the correlation between the glucose and other biochemical parameters.
Conclusion: The concentrations of these biochemical markers concluded that the lipid profiles were affected and increased due to T2DM, the thyroid gland and its hormones were normal and were not affected by T2DM and the kidneys were normal and were there functions not affected by T2DM. there are did no statistically significant correlations between glucose and other parameters.

To assess the c-reactive protein to albumin ratio as a predictive factor in covid-19 patients admitted to the hospital.
Methods: The Hemoglobin (Hb), white blood cells (WBCs), lymphocyte, platelet, neutrophils , D-dimer, Ferritin, C-reactive protein (CRP), alanine aminotransferase (ALT), aspartate aminotransferase (AST), and C-reactive protein to albumin ratio (CAR) were assessed in 60 COVID-19 patients compared to 40 healthy control subjects. Colorimetric techniques were used to determine the blood levels of ALT, AST, ALP, and albumin. IchromaTM assessed serum ferritin and d-dimer, and CBC was determined using an autohematology analyzer.
Results: WBCs, neutrophils, D-dimer, Ferritin, CRP, ALT, AST, and CAR were considerably higher in COVID-19 patients compared to the control group, whereas platelet, albumin, and lymphocyte were significantly lower (P 0.0001).