In this work, five substituted 2'-Hydroxychalcones were prepared using Claisen -Schmidt condensation and used as a synthone for substituted flavanones via base catalyzed isomerization process. The latter process has been studied kinetically using HPLC technique in (8:2) (CH 3 CN:CH 3 OH) medium at different temperatures (298 K -318 K). The obtained results were inconsonance with a four-step mechanism which considered the existence of phenoxide ion as the key intermediate. The reaction was achieved as a pseudo first order reaction in which the rate of the studied compounds followed the sequence 1>2>3>4>5, and the activation energy had the same sequence for these compounds. The reaction rate was affected by the electronic behavior of the different substituents at ring B since they played an important role in the stability of the intermediate that led to t he final product .

The density functional theory (DFT) and thermodynamic analyses were applied to study the stability and chemical reactivity of the synthesized CMPIP {2-chloro-4-(4-(1-methyl-1H-pyrazole-4-yl)-1H-imidazole-5-yl) pyridine} and MPIMPPA {4-(4-(1-methyl-1H-pyrazole-4-yl)- 1H-imidazole-5-yl)-N-(4-morpholino phenyl) pyridin-2-amine}. The results concluded that the CMPIP compound is more stable than MPIMPPA. The antifungal study was confirmed that the MPIMPPA has a higher inhibition zone against Aspergillus niger (A. niger), as compared to the standard drug used, while the CMPIP compound showed weaker activity than the positive control.

No abstract

Molecular docking and DFT calculation have been investigated for the synthesized oxazine derivatives. Theoretical calculations including DFT study has investigated and proved the reactivity of compound 4 is the greatest among others as follow 4>2>5>3>1. On the other hand, the stability of compounds has been calculated to prove that compound 1 has the highest stability among others as follow 1>3>5>2>4. Antibacterial activity test was confirmed potent activity for all the synthesized derivatives against E. coli and S. aureus bacterial strains. The synthesized compounds including 2, 4 and 5 showed potent inhibitory activity against both bacterial strains compared to positive reference of tetracycline. Docking study revealed that oxazine derivatives with 4-chlorobenzamide group at position number 2 showed higher potency than tetracycline as antibacterial by inhibiting TetR.

Interactions of  bovine serum albumin with some alkali earth metal ions  Na+, K+, Mg+2,Ca+2,were investigated to give the effect of metal molecular structure on complex formation of metal-protein molecules. To elucidate the interactions, the protein-metal combination in aqueous buffer solution of pH values (4,7and8.2) and at37°Cwere investigated using conductivity, straight lines from the plot of specific conductivity against its concentration were gives at pH 7 which is chosen because it is near the pH of blood serum. Besides, the conductivities of albumin with each of solutions of some alkali earth metal chlorides (NaCl, KCl, MgCl2, CaCl2) at pH7 were measured. The plot of specific conductivity against each mixture solution were discussed.   http://dx.doi.org/10.25130/tjps.24.2019.106