Iraqi National Journal Of Chemistry

The aim of this study is to prepare activated carbon from waste materials characterized by their environmental hazardous and polluted effect; those are spent lubricant oil (SLO) and Mishraq blow down (Mbd) the side product from Mishraq Sulfur Company. Those two materials were chosen as starting materials for activated carbon preparation.The laboratory work include the preparation of the activated carbon via two treatments, the first includes thermal treatment of (SLO) that was already oxidized under certain experimental conditions with certain percentages of (Mbd). Sample mixtures were heated at 170oC for different time intervals using 1% (wt/wt) anhydrous aluminum chloride as catalyst. The second treatment includes thermal treatment of oxidized (SLO) with different percentages of (Mbd), the mixtures were heated at 300oC for certain time intervals under additionally air stream oxidation condition. Products possessing highest asphaltene contents were chosen as starting matters for activated carbon preparation. They were simply and vacuum distilled respectively. The remained heavy material was treated with potassium hydroxide in (1:2) at 550±50oC for 3hrs. The prepared carbonaceous product was then purified and its activity was determined by adsorption ability, ash content, bulk density and humidity content.

A simple and facile flow injection spectrophotometric method was developed for the determination of copper (II) in aqueous and biological samples. The method is based on the oxidation – reduction reaction between copper (II) and iodide ion in acidic medium to form iodine, the released iodine reacts with soluble starch solution to form iodine starch blue complex which is detected at 600 nm wavelength .Chemical and physical parameters were investigated. The calibration curve obeyed Beer's law between ( 1.0– 25 µg.ml-1) with a limit of detection 0.6 µg.ml-1.The relative standard deviation was 0.62% for 10.0 µg.ml-1 copper solution (n=8) with sampling rate of 35 samples / h

The present study aims to remove some ions of heavy metals such as Cu, Zn, Ni, and Pb ions from industrial wastewater of plant manufacturing batteries, electrical industries, and detergent factories, using Iraqi porcelanite rocks from western desert in Iraq. It was found that, these siliceous rocks have a high susceptibility to remove the ions of heavy metals from industrial wastewater with efficiency of removal ions ranged from 90-100%, under controlled conditions such as flow rate, practical size , temperature , and pH of solution which were 30 ml/hr, 3mm, 30°C, and 2 respectively. The study had indicated appositive relationship between the removal efficiency of the heavy metals with the increasing weight of the adsorbent materials within the column. The selectivity sequence can be given as, Pb> Zn> Cu> Ni. These results show that Iraqi porcelenite rocks hold great potential to remove cationic heavy metal species from industrial wastewater.

A simple, rapid and sensitive spectrophotometric method for the determination of paracetamol using merging zone-continuous flow injection analysis technique via hexagonal flow cell and home made photometric based on 704 nm LED and a photo silicon minidetector was studied. The method was based on the oxidation of paracetamol by Fe(III) solution which leads to the formation of Fe(II) which in turn , reacts with Potassium hexacyanoferrate(III) to form Prussian blue dye and determination of this dye at 704 nm.Chemical and physical parameters of this system were investigated. The analytical graph is ranged from (0.0 – 10 mmol.L-1) with a limit of detection 2.0 nmol.L-1.The relative standard deviation was 0.08% for 6.0 mmol.L-1 paracetamol solution (n=8).The method was applied for the determination of paracetamol in pharmaceutical formulations.

MINDO/3-FORCES calculations had been done after complete optimization of geometry on two newly azo imidazoles: 3,5-DMPID and 2,4-DMPID molecules. The dipole moments , geometric parameters, heats of formation, orbital energies, ionization energies and the electron densities were reported. The (3N-6) fundamental vibration frequencies along with their assignments and the corresponding IR absorption intensities for each one of the two molecules were , also, listed. It was shown that the 2,4-DMPID molecule is the more stable one and it has the lower dipole moment and the higher frequency value for the -N=N- stretch fundamental vibration mode.

Theoretical study has been carried out through simulation of synthesis using quantum methods (semiemprical &Ab-initio ),that’s included in Hyper Chem 6.02 program. to under standing the Substitution reaction mechanism, and intermediates ,and transition structures involved during the reactions. Chemical activity and chemical interaction of reactants and products have been studied by surface potential energy calculations . estimation of the high probable active sites in attachment of esterification and alkylations, the energetic properties have been studied ,as total energy, atomic charge , bond stability bond torsion, electric static field, and heat formation content. The probable of first alkylation step has been studied through calculation of total energy , electric dipole moment constant , and heat change formation . In addition activation energy barrier calculation of all probable reactions have been carried out steps of the alkylation reaction. Thermodynamically of ester hydrolyzed been estimated for 1,3,5,-tri glycerin benzene ,when chemical activity of synthetic compound has been studied through calculation of total energy ,electrostatic potential, electric dipole moment constant ,atomic charge distribution, electronic spectrum and heat formation change . Twenty two of different chemical structure have been suggested and studied ,that’s represent the most important components of reactions mechanism involved during reactions. All probable occurrence reactions of substitution reactions were studied . high probable reactions that is having lowest activation energy value are testing by comparing with other probable competitive reactions(another probabilities),also the total change in heat content of reactions has been calculated. Calculations show that’s , hydroxyl group and hydrogen atom in glycerol molecules of secondary carbon atom are more active than of primary carbon atom for esterification and alkylation reactions respectively. glycerol react efficiently with acetic acid in three steps to produced tri acetate glycerol through endothermic reaction ∆Hre = 28.157 kCal mol-1 . Alkylation reactions at aromatic ring take place through controlling system of orientation to give up 1,3,5- Tri (glycerol tri acetate) benzene by endothermic reaction ∑ ∆Hrea = 8.967(kCal mol-1 ). 1,3,5- Tri glycerin benzene produced during hydrolysis the ester derivative with nine mole of water molecule by exothermic reaction ∆Hrea = -120.991(kCal mol-1 ).large electronic density occurs through new products for nine polar functional gropes of hydroxyl.

Four new macro bi imines as derived from benzoin and acetyl acetone with succinyl ¬¬ dihydrazide (1) , phthaloyl dihydrazide (2) and 4-amino salicylic acid (3) or 5-amino salicylic acid (4) were prepared respectively by a standard method. The structures of these bi imines were confirmed by the measurements of their melting points , UVand IR spectra. The study deals with the tautomerism reactions for the synthesised compounds in ethanol and by the aid of UV spectroscopy. The thermodynamics of tautomerism reaction of these bi imines , showed that the tautomerism processes as evident from ∆G parameters were spontaneous and non spontaneous in compound (1,3,4 ) and (2) respectively. The enthalpies of tautomerism reactions ∆H were varied from exothermic to endothermic reactions and for the same previous compounds numbers . The entropies of reactions ∆S were also estimated and discussed. Finally, all thermodynamic parameters evaluated , support the tautomerism processes in these macro bi imines.

This study concerned with measurement the densities, ρ, refractive indices, nD, and viscosities, η, over the range of temperatures 298.15, 308.15, 318.15, and 328.15K for quaternary mixtures cyclohexane+n-heptane+n-decane+n-hexane, and cyclohexane+1-pentanol+3-hexanol+n-hexane. From experimental data of densities, refractive indices, and viscosities, the excess molar volumes, VE , excess refractive indices, nE , and excess viscosities, ηE , were calculated for quaternary mixtures. The excess function results for these mixtures were observed rocking between positive and negative deviation from ideality depending on molecular interactions in these mixtures. The Flory theory has been extended for the theoretical prediction of excess molar volume of quaternary mixtures studied here depending on the pure component liquid parameters. .The theory predicted the volumetric behavior and magnitudes of well. Refractive indices for quaternary mixtures studied in this work can be predicted by using different refractive indices mixing rules , we found good agreement between the experimental and the predicted values of the refractive indices for the quaternary mixtures studied here. In this study Heric-Coursey equation was used to calculate the excess viscosities for ternary mixtures studied here. The theoretical results of excess viscosity exert good agreement with the experimental results of excess viscosity for these mixtures.

The Kinetic and thermodynamic practical parameter affected adsorption process such as initial compound concentration acidity. Thermodynamic parameters, such as (ΔHº, ΔGº, ΔSº) have been calculated by using the thermodynamic equilibrium coefficient obtained at different temperatures and concentrations were(13.164KJ.mol-1,7.295KJ.mol-1,0.019695KJ.mol-1 K-1respectively). The langmuir and freundlich adsorption model were applied to describe the equilib- rium isotherms. The adsorption kinetics of organic compound (DHMP) on the surface(GAO) obeyed the pseudo -first order equation and show that the adsorption is complex due to different factors that control the rate of reaction. In this work , the adsorption average constant (Kad) increase with the temperature increase when fixing concentration for the adsortion substance.Activation energy was calculated using Arrhenius equation which depends on the nature of the adsorbent surface.

dioxime (LH2), [1,4-diaminobenzene-N, -bis(2-butylidine-3-one oxime], reacts with Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) to yield dinuclear complexes of general formula [M2(LH)2]Cl2 with a metal to ligand ratio of 2:2 with M = Co(II) or Cu(II), while Ni(II) forms complex [Ni2(LH)2(H2O)2Cl2] with a metal to ligand ratio of 2:2, whereas Zn(II) and Cd(II) form complexes of general formula [M2(LH)(H2O)2Cl2] with a metal to ligand ratio of 2 :1 . All complexes were characterized by metal content analyses, IR, electronic spectra, magnetic susceptibility and conductivity measurements. The Co(II) and Cu(II) complexes are proposed to be square planar while the Ni(II) complex is proposed to be octahedral and the complexes of Zn(II) and Cd(II) are tetrahedral.

The present study included 56 diabetic patients and 39 healthy subjects as control group. The diabetic patients were classified according to sex and age. A 32 diabetic were female and 17 healthy as control, whereas males were 24 diabetic patients and 22 as healthy control. The clinical investigations include albumin and creatinine in serum. The results revealed that there is a significant increase (p<0.0001) in creatinine serum compared with control whereas albumin decrease significantly (p<0.0001) in diabetic patient compared with the control. In addition, this study showed that there isn’t any significant difference in concentration of creatinine and albumin between male and female (p>0.05).The patients were classified into two group according to their age. Group A (30-40) year and group B (41-60) year. The comparison revealed that there isn’t significant difference between these groups when determined the concentration of albumin and creatinine in patients with diabetes mellitus. To investigate the relation of progressive renal failure and diabetes mellitus disease, the object was carried out and albumin and creatinine were determined in patients with diabetes mellitus.

Lactate dehydrogenase (LDH), creatine kinase (CK) activities and total thiol levels had been measured in serum samples for 30 β-Thalassemia patients, aged 7-35 years who had been treated at Thalassemia center in the Babylon Maternity and children Hospital for the period between April 2008 to July 2008, compared with 30 healthy controls aged 7-35 years. The purpose of this study was to investigate the activity of these enzymes and the levels of total thiol in β-Thalassemia patients as indicators of the relationship between these parameters and complication of Thalassemia. There was a significant increase of LDH, no significant decrease of CK activity. There was no statistical significant difference between patients and controls as regards to total thiol levels.

Objective: The objective of this study was to investigate the molecular basis of glucose-6-phosphate dehydrogenase (G6PD) genes in hyperbilirubinemic neonates in Babylon province of Iraq by using molecular methods (genomic DNA extraction, PCR and RFLP analysis) and then to investigate the type of G6PD variant predominantly present. Methods: The study included a total of 236 full-term male neonates, 183 of them were associated with severe hyperbilirubinemia which were admitted in Teaching Hospital of Pediatric and Maternity / Babylon during 1st , Oct., 2007 to 14th , July, 2008 with age ranged between 1 – 28 days, their TSB levels ≥ 15 mg/dl , while another 53 neonates were used as control group. The blood sample taken from each neonate was divided into two aliquots: the first aliquot was used for hemoglobin (Hb), total and conjugated bilirubin (TSB and SCB), G6PD activity. The second aliquot was used for molecular analysis including genomic DNA extraction and then application of polymerase chain reaction (PCR) and restriction fragment length polymorphism (RFLP) protocols. Results and Discussion: Severe hyperbilirubinemic neonates were screened for erythrocyte G6PD enzyme activity measurements, severe G6PD deficiency was detected in 22 of the total 183 hyperbilirubinemic neonates included and their activity levels was significantly decreased (P < 0.05) to 0.34 ± 0.17 U/g Hb as compared with control value 10.02 ± 1.17 U/g Hb. The incidence of severe G6PD deficiency in neonatal hyperbilirubinemic neonates identified was 12.02 %. TSB levels were markedly elevated to (23.01 ± 5.0 mg/dl), whereas the control value was 0.75 ± 0.23 mg/dl. The mean ± SD values of each of SCB and Hb were significantly lower than that found in controls (P < 0.05) and reached to 0.063 ± 0.036 mg/dl ; 13.32 ± 0.94 g/dl as compared with that found in control neonates 0.19 ± 0.11 mg/dl ; 15.91 ± 1.62 g/dl respectively. Conjugated bilirubin was undetectable in sera of 10 of 22 neonates (45.5%) with severe G6PD deficiency which imply a partial defect of bilirubin conjugation. The molecular part of the study involved the extraction of genomic DNA from hyperbilirubinemic neonates with severe G6PD deficiency which detected by agarose electrophoresis and then amplified by PCR and finally was subjected to digestion by endonuclease restriction enzymes to create RFLP to enable the detection of mutation that caused G6PD deficiency. The overall majority of affected severe G6PD-deficient neonates with hyperbilirubinemia in Babylon province : Iraq were due to G6PD Med variant (C563T, Ser 188 Phe) in which 19 out of 22 (86.4%) have this type of gene mutation, and only one G6PD A- variant (4.55%) (G202A ; A376G mutations) was diagnosed, whereas 2 of 22 (9.1%) remain with unknown G6PD variants. Conclusion: The predominant G6PD gene detected in hyperbilirubinemic neonate with severe G6PD deficiency in Babylon province was G6PD Med.

The role of salicylic acid (SA) in alleviating boron toxicity in terms of adventitious root formation (ARF) of mung bean cuttings were studied after determination of toxic level of B and the promontory concentration of SA . Besides SA is not effective in high level of significancy in un- treated cuttings with auxin and the role of SA was tested via three kinds of applications in relation to IAA:-Post-, pre-, and simultaneous application. The results revealed the followings:1-The toxic levels of B were (250- 600) µg/ml which reduced growth parameters in terms of rooting response to one third compared to the control , morphological symptoms represented by bleaching of primary leaves, in addition to chlorosis & necrosis .2-The solitary and promotory concentration of SA is 10-4 M that enhanced rooting response by 36% over control.3-Simultaneous application of SA & IAA at their optimum concentrations enhances rooting response by doubling the root number (110 roots) compared to IAA alone (52 root).4-The later rooting response is better than SA pre- treated to stock plants (promotes 54.5 root / cutting) . Meanwhile, it doesn't raised to the rooting level when SA supplied to cuttings after auxin post- application) , particularly for 2-days (promote 138.2 root / cutting).5-Complete B detoxification by treating cuttings with SA after auxin (post- application) and before exposure to the toxic level of B, was obvious Through retention of primary leaves in their normal morphological color, significantly raising the rooting responses, and verifying the synergistic effect between SA & IAA, particularly when SA supplied after 36- 40 h of cuttings excision.6-The discussion was focused on the protective role and value of SA in preventing photosynthetic pigment damages that occurred by B, biosynthesis of protein for repairing damages , and improving the Anti-oxidant defense mechanisms

The levels of plasma ceruloplasmin (CP) in patients with bladder cancer, bladder stones as pathological control and normal subjects were determined .The study include the kinetic and thermodynamic properties. The study include (35) patients suffer from bladder cancer, (25) patients suffer from bladder stones disease and (25) normal subjects. The statistical analysis showed a significant increase (P < 0.05) in the activity of plasma CP in patients with bladder cancer as compared to pathological control and normal subjects , the optimum conditions of enzyme activity showed a 9.26 mmole/L concentration of p-phenylene diamine (PPD) ( substrate) under incubation time of 15 min & 370C . Estimation of some kinetic & thermodynamic parameters of plasma CP enzyme reaction, indicated that : the km values for the plasma CP were lower in bladder cancer patients than in normal subjects, while the Vmax values for the CP reaction found to be higher in bladder cancer patients than in normal, the forward reaction rate constant (k1) for CP decreased in bladder cancer patients. The disease affected (increased) the half-life time (t1/2) of CP reactions , the Hill coefficient (n) values revealed that there was a significant difference in the case of bladder cancer patients as compared with those of the control groups, the activation energy Eact.* for CP reaction decreased in bladder cancer patients compared with normal group subjects , the ∆H* values for CP enzyme in normal subjects and bladder cancer patients were positive that confirmed the reaction to be endothermic. The ∆S* values for CP enzyme in normal subjects and bladder cancer patients were negative ,whereas the ∆G* values for CP enzyme-substrate reactions in normal and bladder cancer patients groups were positive.

The polarographic behaviour of imuran (azathioprine) have been studied , the drug give a well sensitive defined double peaks at about (-0.4V, -0.96V) in carbonate buffer solution at pH 7.4 and at (-0.54V, -1.07 V) in serum – carbonate buffer and at (-0.42V, - 1.03 V) in urine – carbonate buffer. The lowest determined concentration was (8.7x10-7 M) in serum-carbonate media and (15.2x10-7 M) in urine-carbonate media. The method can be successfully applied to determination of azathioprine in vivo. The relation between concentration and diffusion current (Ip) was linear for all solutions.