Ultrafast photoisomerization and its single-shot pump pulse efficiency of trans-azobenzene derivative: Compound for photosensitive DNA

Chen, Tao; Yamaguchi, Atsushi; Igarashi, Kazumasa; Nakagawa, Naofumi; Nishioka, H.; Asanuma, Hiroyuki; Yamashita, Mikio

doi:10.1016/j.optcom.2011.10.032

Cited by 4 publications

(5 citation statements)

References 24 publications

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“…[12,13] was used to measure transient absorbance changes OD(t) by the noncollinear femtosecond pump-probe technique. The ultrafast laser source is a 30-fs, 2.5-mJ Ti:sapphire laser-amplifier system which provides 815 nm pulses at a repetition rate of 1 kHz.…”

Section: Methodsmentioning

confidence: 99%

“…[12,13]) describing the population dynamics of the ground states 0 S T and 0 S C as well as the second excited states 2 S T and the "bottleneck" intermediate state…”

Section: Azd Solutionmentioning

confidence: 99%

“…Then, we investigated the transient absorption behaviors of those solutions with the rate equation analysis [12,13]. We also obtain the T-to-C photoisomerization rate  T,C per 4 femtosecond pump pulse, the yielding rate of the photoproduct C-isomer by single-shot excitation, and discuss the physical origin of the difference of the  T,C for three solutions.…”

mentioning

confidence: 99%

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Femtosecond photoisomerization of azobenzene-derivative binding to DNA

Chen

Igarashi

Nakagawa

et al. 2011

Journal of Photochemistry and Photobiology A: Chemistry

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Section: Methodsmentioning

confidence: 99%

“…[12,13]) describing the population dynamics of the ground states 0 S T and 0 S C as well as the second excited states 2 S T and the "bottleneck" intermediate state…”

Section: Azd Solutionmentioning

confidence: 99%

mentioning

confidence: 99%

See 1 more Smart Citation

Femtosecond photoisomerization of azobenzene-derivative binding to DNA

Chen

Igarashi

Nakagawa

et al. 2011

Journal of Photochemistry and Photobiology A: Chemistry

Self Cite

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“…Literature species 10,13,14,15,16,17,18,21,22,95,96,131,132,133,134,135,136,137,138,139,140,161,162 Table S7. Substituents used for combinatorial species generation.…”

Section: Graphsmentioning

confidence: 99%

Excited state, non-adiabatic dynamics of large photoswitchable molecules using a chemically transferable machine learning potential

Axelrod,

Shakhnovich,

Gómez-Bombarelli

2021

Preprint

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Light-induced chemical processes are ubiquitous in nature and have widespread technological applications. For example, the photoisomerization of azobenzene allows a drug with an azo scaffold to be activated with light. In principle, photoswitches with useful reactive properties, such as high isomerization yields, can be identified through virtual screening with reactive simulations. In practice these simulations are rarely used for screening, since they require hundreds of trajectories and expensive quantum chemical methods to account for non-adiabatic excited state effects. Here we introduce a neural network potential to accelerate such simulations for azobenzene derivatives. The model, which is based on diabatic states, is called the diabatic artificial neural network (DANN). The network is six orders of magnitude faster than the quantum chemistry method used for training. DANN is transferable to molecules outside the training set, predicting quantum yields for unseen species that are correlated with experiment. We use the model to virtually screen 3,100 hypothetical molecules, and identify several species with extremely high quantum yields. Our results pave the way for fast and accurate virtual screening of photoactive compounds.

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“…Because light is easy to control and can be directed at a precise spot with resolution of a few micrometers, PR fluids have potential values in microscale applications, such as microfluidic devises, microvalves or flow sensors [8] . Recently PR fluids have been used in drag reduction and heat transfer enhancement [9] , control of surface tension [10~11] , microemulsion phase separation [12] and biological systems [13] .…”

Section: Introductionmentioning

confidence: 99%