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2 Scientiae Radices

2 2024

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Thermodynamic aspects of the [3+2] cycloaddition reaction of triphenyl-substituted TACs and the ethyl oleate

Dresler Ewa, Dadras Akbar D, Babanezhad Esmaeil, Demchuk Oleg M.

Scientiae Radices

2024

Vol. 3, Iss. 4

248--253

The [3+2] cycloaddition reactions of triphenyl-substituted TACs and the ethyl oleate were examined on the basis of the DFT thermodynamic calculations. Free thermodynamic potentials of the reaction, values of the equilibrium constants K and equilibrium degrees were estimated on the basis of results derived from the vibrational analysis. Obtained results were compared with experimental studies on the model reaction with the participation of the C,C,N-triphenylnitrone.

How to manufacture a drug API? A simple scheme from synthesis to analysis

Siadati Seyyed Amir, Ebrahimzadeh Mohammad Ali, Robati Rezvan Yazdian, Babanezhad Esmaeil

Scientiae Radices

2024

Vol. 3, Iss. 2

89--107

Simply, production of a drug needs two main steps; the first step is the chemical synthesis, and the second one is the pharmaceutical analysis. At the first step, the desired drug must be synthesized via the lowest possible production cost. The synthesis scheme must be designed to proceed the reaction with the highest yield, cheapest solvents, and mildest possible conditions. It should also be user friendly (for operators of the production unit), as fast as possible, with lower steps leading to a highly pure active pharmaceutical ingredient (API). The pharmaceutical analysis step contains a series of the main analytical tests such as instrumental (HPLC, GC, XRD, and …), as well as physicochemical ones (like solubility, ash, heavy metals, …). These tests determine the quality of an API for being applied in the finish line formulation of a drug. In the present paper, we have simply described the two main steps for manufacturing a drug API which contains the synthesis step as well as the pharmaceutical analytical part. Also, some key notes for drug synthesis step will be presented.