Characterization of Electronic Structures on the Adsorption Behaviors of Mercaptopurine Anticancer Drug From Surface Macromolecule Calix[4]Aren As Adsorbent by Spectral Studies and Dft Calculations

Characterization of Electronic Structures on the Adsorption Behaviors of Mercaptopurine Anticancer Drug From Surface Macromolecule Calix[4]Aren As Adsorbent by Spectral Studies and Dft Calculations Publisher

Karamjavan MM¹ ; Zare K¹ ; Sefidan AM² ; Noei M³ ; Farajtabar ALI⁴

Show Affiliations

1. Department of Chemistry, Science and Research Branch, Islamic Azad University, Tehran, Iran
2. Department of Laboratory Sciences, The School of Allied Medical Sciences, Tehran University of Medical Sciences, Tehran, Iran
3. Department of Chemistry, Faculty of Pharmaceutical Chemistry, Tehran Medical Sciences, Islamic Azad University, Tehran, Iran
4. Department of Chemistry, Faculty of Sciences, Jouybar Branch, Islamic Azad University, Jouybar, Iran

Source: Surface Review and Letters Published:2022

Abstract

Calix[4]aren/mercaptopurine complex, scientifically called 1,7-dihydro-6h-purine-6-thione/calix[4]aren, is classified in the category of anticancer drugs. The stability properties structure of mercaptopurine complex with calix[4]aren was studied in dimethyl formamide, butanol, and butil eter solvents. Accordingly, these were investigated using the density functional theory (DFT) calculations at the B3LYP/6-31G (d) level and the degree of coverage of the atoms at the side effect C71= S69 of pure and the complex mercaptopurine drugs. The main peak in the IR spectrum appeared in the 2149-2859cm-1 range. The molecular stability and no decay of structures were calculated and compared with each other by conducting both natural band orbital (NBO) and NMR calculations. Next, in the experimental section, the effect of drug complexation on its solubility rate in different solvents was investigated using the UV-Vis and solubility of the complex was higher in the dimethyl formamide solvent and its absorption intensity was 0.785. The changes in the intensity of the absorption peak in the XRD spectrum of both the pure and complex drug are in the range of 130 to 950. © 2022 World Scientific Publishing Company.

Style	Citing Format
MLA	Karamjavan MM, et al.. "Characterization of Electronic Structures on the Adsorption Behaviors of Mercaptopurine Anticancer Drug From Surface Macromolecule Calix[4]Aren As Adsorbent by Spectral Studies and Dft Calculations." Surface Review and Letters, vol. 29, no. 7, 2022, pp. -.
APA	Karamjavan MM, Zare K, Sefidan AM, Noei M, Farajtabar ALI (2022). Characterization of Electronic Structures on the Adsorption Behaviors of Mercaptopurine Anticancer Drug From Surface Macromolecule Calix[4]Aren As Adsorbent by Spectral Studies and Dft Calculations. Surface Review and Letters, 29(7), -.
Chicago	Karamjavan MM, Zare K, Sefidan AM, Noei M, Farajtabar ALI. "Characterization of Electronic Structures on the Adsorption Behaviors of Mercaptopurine Anticancer Drug From Surface Macromolecule Calix[4]Aren As Adsorbent by Spectral Studies and Dft Calculations." Surface Review and Letters 29, no. 7 (2022): -.
Harvard	Karamjavan MM et al. (2022) 'Characterization of Electronic Structures on the Adsorption Behaviors of Mercaptopurine Anticancer Drug From Surface Macromolecule Calix[4]Aren As Adsorbent by Spectral Studies and Dft Calculations', Surface Review and Letters, 29(7), pp. -.
Vancouver	Karamjavan MM, Zare K, Sefidan AM, Noei M, Farajtabar ALI. Characterization of Electronic Structures on the Adsorption Behaviors of Mercaptopurine Anticancer Drug From Surface Macromolecule Calix[4]Aren As Adsorbent by Spectral Studies and Dft Calculations. Surface Review and Letters. 2022;29(7):-.
BibTex	@article{ author = {Karamjavan MM and Zare K and Sefidan AM and Noei M and Farajtabar ALI}, title = {Characterization of Electronic Structures on the Adsorption Behaviors of Mercaptopurine Anticancer Drug From Surface Macromolecule Calix[4]Aren As Adsorbent by Spectral Studies and Dft Calculations}, journal = {Surface Review and Letters}, volume = {29}, number = {7}, pages = {-}, year = {2022} }
RIS	TY - JOUR AU - Karamjavan MM AU - Zare K AU - Sefidan AM AU - Noei M AU - Farajtabar ALI TI - Characterization of Electronic Structures on the Adsorption Behaviors of Mercaptopurine Anticancer Drug From Surface Macromolecule Calix[4]Aren As Adsorbent by Spectral Studies and Dft Calculations JO - Surface Review and Letters VL - 29 IS - 7 SP - EP - PY - 2022 ER -

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