Favipiravir, remdesivir, and lopinavir: metabolites, degradation products and their analytical methods.

Severe acute respiratory syndrome 2 (SARS-CoV-2) caused the emergence of the COVID-19 pandemic all over the world. Several studies have suggested that antiviral drugs such as favipiravir (FAV), remdesivir (RDV), and lopinavir (LPV) may potentially prevent the spread of the virus in the host cells and person-to-person transmission. Simultaneously with the widespread use of these drugs, their stability and action mechanism studies have also attracted the attention of many researchers.

Effects of Ge, Si, and B doping on the adsorption and detection properties of C fullerene towards methadone in gas and aqua phases: a DFT study.

Context: Methadone can be abused and caused addictive and has various side effects. Therefore, the development of a fast and reliable diagnosis technique for its monitoring is essential. In this work, applications of C, GeC, SiC, and BC fullerenes were investigated utilizing density functional theory (DFT) to find a suitable probe for methadone detection.

Development of a β-cyclodextrin-modified gold nanoparticle-assisted electromembrane extraction method followed by capillary electrophoresis for methadone determination in plasma.

In this study, gold nanoparticles (AuNPs) modified with β-cyclodextrin (β-CD) were used to assist with electromembrane extraction (EME) and were coupled with capillary electrophoresis (CE) and ultraviolet (UV) detection (CE-UV) for the extraction and measurement of methadone from plasma samples. A β-CD-modified AuNP-reinforced hollow fiber (HF) was utilized in this work. The β-CD-modified AuNPs act as an absorbent and provide an extra pathway for the analyte extraction.

Electromembrane extraction of tramadol from exhaled breath condensate and its liquid chromatographic analysis.

Tramadol has extracted from the exhaled breath condensate (EBC) samples through the supported liquid membrane consisting of 2-nitrophenyl octyl ether impregnated in the hollow fiber wall, and the lumen of the hollow fiber was filled with 20 μL of an acceptor phase. Under the optimum conditions of the electromembrane extraction, i.e.

An overview on nanostructure-modified supported liquid membranes for the electromembrane extraction method.

Electromembrane extraction (EME) is an extraction method on the micro scale, in which charged compounds are extracted from a donor phase (sample solution) into an acceptor phase a supported liquid membrane (SLM) containing a water-immiscible organic solvent. To enhance the extraction efficiency and selectivity in this method, some studies have focused on the modification of the SLM, and thus many strategies have been reported for this purpose. One of these techniques is the introduction of nanomaterials in the SLM structure, which can enhance the extraction efficiency.

Investigations of adsorption behavior and anti-inflammatory activity of glycine functionalized AlN and AlON fullerene-like cages.

The adsorption behavior of the amino acid, glycine (Gly), via the carboxyl, hydroxyl, and amino groups onto the surfaces of AlN and AlN fullerene-like cages were computationally evaluated by the combination of density functional theory (DFT) and molecular docking studies. It was found that Gly can chemically bond with the AlN and AlN fullerene-like cages as its amino group being more favorable to interact with the aluminum atoms of the adsorbents compared to carboxyl and hydroxyl groups. Oxygen and carbon doping were reported to reduce steric hindrance for Glycine interaction at Al site of AlON/Gly and AlCN/Gly complexes.

Prediction of Activities of BRAF (V600E) Inhibitors by SW-MLR and GA-MLR Methods.

Background: Quantitative structure-activity relationship (QSAR) models could provide both statistical significance and useful chemical insights for drug design. The QSAR method has found applications for predicting diverse properties of organic compounds, including antiviral activities, toxicities and biological activities. In this work, a quantitative structure-activity relationship was utilized for the prediction of allosteric BRAF (V600E) inhibitory activities.