Abstract
About this talk
Theoretical and experimental study were conducted on several antimicrobials (ex: p-tolyl 2-Acetamido-3-(4-Fluorophenyl)Propanoate (AFP), novel bioactive molecule 2-(3-Bromobenzoyl)-n-Methylhydrazine-1-Carboxamide (BMC), (E)-4-methoxy-N′-(2-(Trifluoromethyl)benzylidene) benzohydrazide (EMT) etc etc). Density Functional Theory (DFT), Time Dependent (TD)-DFT and Surface Enhanced Raman Scattering (SERS) studies are reported for the adsorption on silver hydrosols. SERS at various concentrations are discussed and their orientation changes with concentration are studied. After adsorption on silver surface, the structural properties of antimicrobials exhibit somtetimes modifications, indicating an interaction between them and Ag6 cluster. On some samples molecular docking are performed to find their ability to bind to target proteins. Silver nanoparticles are successfully used for the treatment of different diseases alone or in association with other active components and the incorporation of antimicrobials with silver nanocolloids could act as a nanodrug delivery system. The findings presented could futhermore help in the construction of more dependable SERS sensors by thoroughly describing the concentration-dependent profile of analyte orientation.
Keywords: Antimicrobials, SERS Raman, DFT, Docking.
Audience Take Away Notes
- Identification and characterizations of antimicrobials
- Application of Raman spectroscopy in antimicrobials analysis
- Notions on SERS colloids
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