High-Throughput Screening for Ultrafast Photochemical Reaction Discovery.
Matthew BainJosé L Godínez CastellanosStephen E BradforthPublished in: The journal of physical chemistry letters (2023)
High-repetition-rate lasers present an opportunity to extend ultrafast spectroscopy from a detailed probe of singular model photochemical systems to a routine analysis technique in training machine learning models to aid the design cycle of photochemical syntheses. We bring together innovations in line scan cameras and micro-electro-mechanical grating modulators with sample delivery via high-pressure liquid chromatography pumps to demonstrate a transient absorption spectrometer that can characterize photoreactions initiated with ultrashort ultraviolet pulses in a time scale of minutes. Furthermore, we demonstrate that the ability to rapidly screen an important class of photochemical system, pyrimidine nucleosides, can be used to explore the effect of conformational modification on the evolution of excited-state processes.
Keyphrases
- machine learning
- small molecule
- liquid chromatography
- high resolution
- single molecule
- high throughput
- mass spectrometry
- computed tomography
- molecular dynamics
- quantum dots
- living cells
- tandem mass spectrometry
- clinical practice
- high speed
- magnetic resonance imaging
- high resolution mass spectrometry
- simultaneous determination
- cerebral ischemia
- brain injury
- single cell
- solid state
- data analysis