Complex Partial Seizure and Hippocampus Atrophy Caused by Tramadol Abuse: A Case Study

Ahmadi, Mohammad Reza; Hoseinzade, Alireza; Haghighi, Samaneh; Yosefi, Sajad

doi:10.5812/amh.61240

Cited by 1 publication

(1 citation statement)

References 11 publications

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“…The ΔN max <0 indicates the molecule acts as an electron donor. 37 In gas and solvent phase, Iopamidol are electron acceptors and can have significant power of electron affinity. The ΔN max index of Iopamidol increases as follow: gas < chloroform < acetic acid < ethanol =DMF =DMSO < water at the B3LYP/ LANL2DZ basis set.…”

Section: Resultsmentioning

confidence: 99%

Theoretical B3LYP Study on Electronic Structure of Contrast Agent Iopamidol

Genç

Kandemirli²,

Kandemi̇rlı

2021

ACSi

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Nonionic low-osmolar contrast agents are thought about safe for intravenous or intra-arterial administration. Iopamidol is one of the contrast agents used for diagnostic clinical computed tomography (CT) protocols last four decades years. The molecular structure of Iopamidol was calculated by the B3LYP density functional model with the LANL2DZ basis set by the Gaussian program. The natural bond orbital analysis in terms of the hybridization of atoms and the electronic structure of the title molecule have been analyzed by using the data obtained from the quantum chemical results. First-order hyperpolarizability (βtot), the dipole moment (μ) and polarizability (α) and anisotropic polarizability (Δα) of the molecule have been reported. HOMO and LUMO energies and parameters related to energies, and dipole moment, polarizability and hyperpolarizability show minor dependences on the solvent polarity. The hardness of Iopamidol decreases with increasing solvent polarity. The stability of the Iopamidol contrast agent with the hyper conjugative interactions, charge delocalization has been analyzed using natural bond orbital analysis. In addition, thermodynamic properties were obtained in the range of 200–1000 K.

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Section: Resultsmentioning

confidence: 99%