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Heidari, A. (2016) A Combined Computational and QM/MM Molecular Dynamics Study on Boron Nitride Nanotubes (BNNTs), Amorphous Boron Nitride Nanotubes (a-BNNTs) and Hexagonal Boron Nitride Nanotubes (h-BNNTs) as Hydrogen Storage. Structural Chemistry & Crystallography Communication, 2, 1.

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• TITLE: In Situ Characterization of Lopinavir by ATR-FTIR Biospectroscopy

  AUTHORS: Alireza Heidari

  KEYWORDS: ATR-FTIR Biospectroscopy, Simulation, Lopinavir, Breakdown, Coronavirus Disease-2019, COVID-19, Infection, Protective and Therapeutic Effect, Potent Drug

  JOURNAL NAME: Computational Chemistry, Vol.8 No.3, July 14, 2020

  ABSTRACT: Lopinavir is an antiretroviral of the protease inhibitor class (Figure 1 and Figure 2). It is used against HIV infections as a fixed-dose combination with another protease inhibitor, ritonavir (lopinavir/ritonavir). In the current research, the stimulated ATR-FTIR biospectroscopy of liquid sample of Lopinavir was investigated. The stimulated ATR-FTIR diffractions emitted through focusing the second harmonic laser beam Nd:YAG into the sample were recorded by Echelle spectrometer and ICCD detector. Increasing the energy of laser beam from 2.6 (mJ) to 16 (mJ) led to increase in stimulated ATR-FTIR signal but after breakdown threshold of liquid sample, further increasing energy led to the decrease in stimulating ATR-FTIR signals and for energies higher than 20 (mJ), they were disappeared.