Experimental and theoretical studies of the interaction of Penicillamine with SWCNT (6,0) as a drug delivery system

In this paper the interaction of Penicillamine (PCA) with single-walled carbon nanotube (SWCNT)(6,0) has been studied experimentally and theoretically. The element mapping (MAP) analysis has been indicated that the drug was adsorbed and distributed throughout the SWCNT (6,0) surface. The obtained FTIR spectrum confirms the presence of PCA on the surface of nanotube. The images of Field Emission Scanning Electron Microscope (FE-SEM) clearly demonstrate that the compound is fused in irregular films of nanometer size in which composed of very small spherical particles. The results of Energy Dispersive X-ray Analysis (EDAX) also, have been confirmed the combination of PCA with nanotube. TEM images have been clearly indicated the possibility of physical interaction between the CNT and the functional group of drug. These results have confirmed that the interaction of PCA with nanotube can be considered as a physical adsorption. The results obtained by the computational have confirmed the experimental data. © 2022 Taylor & Francis Group, LLC

Mechanism investigation of the reaction between triphenylphosphine, dialkyl acetylenedicarboxylates and 2-hydroxybenzimidazole: Experimental and theoretical study

In the recent work, NMR study and the stability of the Z- and the E- isomers were undertaken for the two rotational isomers of phosphorus ylides involving 2-hydroxybenzimidazole [namely dimethyl-2-(2-hydroxybenzimidazole-n-yl)-3-(triphenylphosp hanylidene) succinate] by natural population analysis (NPA) and atoms in molecules (AIM) methods. Quantum mechanical calculation was clarified how the ylides exist in solution as a mixture of the two geometrical isomers (Z- and E-) as a minor or major form. In addition, Kinetic studies were performed for the reaction between triphenylphosphine and dialkyl acetylenedicarboxilate in the presence of NH– heterocyclic compound, such as 2-hydroxybenzimidazole. To determine the kinetic parameters of the reaction, it was monitored by UV spectrophotometry. Useful information was obtained from studies of the effect of solvent and concentration of reactants on the rate of reaction. Proposed mechanism was confirmed according to the obtained results and steady state approximation and first step (k2) and third step of reaction were recognized as a rate determining step and fast step, respectively on the basis of experimental data