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Quantum chemical calculation was correlated with geometrical structure and total energy of fluoxetine and its five derivatives. Theoretical vibrational frequencies and geometric parameters (bond lengths and bond angles) have been calculated using ab initio (HF), density functional theory (B3LYP), semi-empirical (AM1, PM3) methods with different basis sets to design the fluoxetine drugs and its derivatives by a Gaussian 09 W program. Theoretical optimized geometric parameters and vibrational frequencies of fluoxetine have been compared with the corresponding five derivatives data. The highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies have been determined. The theoretical study includes the calculation of the thermodynamic properties of the drugs and its derivatives like zero-point energy, enthalpy, entropy, ionization energy, electron affinity to make a correlation between the gained results. The results of the four methods were not very clear, but an correlation between the dipole moment (potential character), static distribution (an active site character) and HOMO-LUMO energies (energy for electron transfer) shows that the patent 1.5 was important derivatives as a recommended drug relative to fluoxetine drug.

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In this study, a total of 209 individuals of leeches were collected from Al-Hindyia River / Babil Province. 116 individuals were identified as Erpobdella octaculata (Linnaeus, 1758), 50 individuals as Erpobdella punctata (Leidy,1870) and 43 individuals as Hemiclepsis marginata (Müller, 1774). Four samples were collected monthly during a period from February to June 2018. Some physical and chemical water properties were also examined, including air and water temperature, potential of hydrogen pH, Electrical Conductivity EC, Total Dissolved Solid TDS, Dissolved Oxygen DO, and the Biological Oxygen Demand BOD₅. Air and water temperature were ranged 19.5-29, & 14.6-23.2 °C respectively. The values of pH ranged 6.2-7.6. EC ranged 1104-1581 μs/cm². The TDS recorded 669-767 mg/l, while the DO reached 1.3-8.5 mg / l, the BOD₅ ranged 3.5-5.7 mg/l.