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On New Substances of Urea Derivatives Obtained by the Quantum-mechanical Method ab Initio, Their Structural-geometric, Charge and Energy Properties

Yury Mikhailovich Petrenko

International Journal on Data Science and Technology, 2021

Abstract

The body of humans and animals contains large quantities of urea, which is believed to serve as an excretory agent for removing excess protein in it. With regard to the toxicity of this substance in the body there is no clarity, whether it is a uremic toxin, or whether this substance is not toxic. It is possible that the role of urea in the body is connected with its metabolites. It is known that there are substances that are derivatives of urea, which exhibit high biological activity. Instance, the well-known carbamide derivative, hydroxycarbamide has gained recognition as an important anticancer drug and an effective promising therapeutic agent for sickle cell anemia. The discovery of new substances and the establishment of their properties is an important task of science, both theoretical and practical. Urea can be a source of new substances, urea derivatives with interesting properties. The aim of the work was, on the basis of quantum mechanical studies, to find out the fundamental possibility of the existence of other urea-derived substances and some other substances of a similar nature and to carry out a comparative analysis of their properties in terms of the interaction of their molecules with water molecules and with each other. In this work, the possibility of the existence of many substances that are derivatives of urea was discovered. Regarding the new urea-derived substances discovered by us, they can be divided into two groups of substances, substances…

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