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PreprintCC BYChemRxiv

Autonomous Experimentation Enables Rapid Optimization of Photochemical Continuous-Flow Synthesis of Diazaxanthilidene Fluorophores

  • Joao Luiz P. de Albuquerque1
  • Scott Laverty1
  • Mao Niimura1
  • Ari Bortman2
  • David M. Chenoweth1
  • Andrew F. Zahrt1
  1. 1Chemistry Department, University of Pennsylvania, 231 S 34th Street, Philadelphia, Pennsylvania, 19104
  2. 2Department of Mechanical Engineering and Applied Mechanics, University of Pennsylvania, 220 S 33rd Street, Philadelphia, Pennsylvania, 19104
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Abstract

Photoconvertible diazaxanthilidene dyes enable optical labeling and tracking in live cells, but the batch photocyclization that generates them requires days of irradiation and analog-specific optimization. Here we report a closed-loop continuous-flow platform that uses Bayesian optimization to tune light intensity, temperature, flow rate, and concentration. In campaigns on the parent diazaxanthilidene and four analogs, the platform improved throughput for four of five compounds. For the parent diazaxanthilidene, photoconversion yield rose from approximately 69% in batch to 79%, while throughput increased from 0.52 to 87 nmol min-1. The platform autonomously performs >40 optimization experiments to turn a multiday, analog-specific batch synthesis into a same-day flow synthesis.

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Cite

BibTeXRIS
BibTeX
@misc{albuquerque2026autonomous,
  title = {{Autonomous Experimentation Enables Rapid Optimization of Photochemical Continuous-Flow Synthesis of Diazaxanthilidene Fluorophores}},
  author = {Joao Luiz P. de Albuquerque and Scott Laverty and Mao Niimura and Ari Bortman and David M. Chenoweth and Andrew F. Zahrt},
  howpublished = {ChemRxiv},
  year = {2026},
  month = oct,
  doi = {10.26434/chemrxiv.15011155/v1},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011155/v1},
  note = {CC BY},
}
RIS
TY  - UNPB
TI  - Autonomous Experimentation Enables Rapid Optimization of Photochemical Continuous-Flow Synthesis of Diazaxanthilidene Fluorophores
AU  - Joao Luiz P. de Albuquerque
AU  - Scott Laverty
AU  - Mao Niimura
AU  - Ari Bortman
AU  - David M. Chenoweth
AU  - Andrew F. Zahrt
PY  - 2026
DA  - 2026/10/27
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15011155/v1
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011155/v1
AB  - Photoconvertible diazaxanthilidene dyes enable optical labeling and tracking in live cells, but the batch photocyclization that generates them requires days of irradiation and analog-specific optimization. Here we report a closed-loop continuous-flow platform that uses Bayesian optimization to tune light intensity, temperature, flow rate, and concentration. In campaigns on the parent diazaxanthilidene and four analogs, the platform improved throughput for four of five compounds. For the parent diazaxanthilidene, photoconversion yield rose from approximately 69% in batch to 79%, while throughput increased from 0.52 to 87 nmol min-1. The platform autonomously performs >40 optimization experiments to turn a multiday, analog-specific batch synthesis into a same-day flow synthesis.
ER  -