EXPLORING THE CONFORMATIONAL LANDSCAPE OF BIOACTIVE MOLECULES BY CHIRPED PULSE MICROWAVE SPECTROSCOPY AND LASER VAPORIZATION

Crehuet I Viladelbosch, Otger

Permalink

https://hdl.handle.net/2142/122315 Copy

Description

Title

EXPLORING THE CONFORMATIONAL LANDSCAPE OF BIOACTIVE MOLECULES BY CHIRPED PULSE MICROWAVE SPECTROSCOPY AND LASER VAPORIZATION

Author(s)

Crehuet I Viladelbosch, Otger

Contributor(s)

• Parra-Santamaria, Maider
• Cocinero, Emilio J.
• Pinacho, Pablo

Issue Date

2023-06-22

Keyword(s)

Conformers and isomers

Abstract

The study of bioactive molecules is an important field if we want to understand how living organisms work, in this contribution we present three molecules: indole-3-carbinol (I3C), picaridin and DEET. By a combination of quantum-chemical calculations and microwave spectroscopy all molecules were interrogated. I3C was vaporized by ultrafast UV laser radiation and 1 conformers were detected. In addition, the structure could be determined by minor isotopologues species. Picaridin and DEET were examined in the pulse-chirped spectrometer and 2 and 4 species were observed respectively. Studies are in progress and higher energy conformers will be investigated and hydrated species will be analysed.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

eng

Handle URL

https://hdl.handle.net/2142/122315

DOI

https://doi.org/10.15278/isms.2023.6845

Owning Collections