QM/MM Studies on Photoisomerization Dynamics of Azobenzene Chromophore Tethered to a DNA Duplex: Local Unpaired Nucleobase Plays a Crucial Role
نویسندگان
چکیده
منابع مشابه
Azobenzene photoisomerization-induced destabilization of B-DNA.
Molecular photoswitches provide a promising way for selective regulation of nanoscaled biological systems. It has been shown that conformational changes of azobenzene, one of the widely used photoswitches, can be used to reversibly control DNA duplex formation. Here, we investigate the conformational response of DNA upon azobenzene binding and isomerization, using a threoninol linker that has b...
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Azobenzene incorporated into DNA has a photoisomerization quantum yield that depends on the DNA sequence near the azobenzene attachment site. We use Molecular Dynamics computer simulations to elucidate which physical properties of the modified DNA determine the quantum yield. We show for a wide range of DNA sequences that the photoisomerization quantum yield is strongly correlated with the vari...
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A series of derivatized azobenzene molecules are synthesized such that one of the phenyl groups can be chemically bonded to mesostructured silica and the other, derivatized with dendrons, is free to undergo large-amplitude light-driven motion. The silica frameworks on which the motion takes place are either 150 nm thick films containing ordered hexagonal arrays of tubes (inner diameter about 2 ...
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The duplex-forming activities of oligonucleotides can be photomodulated by incorporation of an azobenzene unit. Upon isomerizing the trans-azobenzene to the cis form by irradiation with UV light, the T(m) value of the duplex (with the complementary DNA) is lowered so that the duplex is dissociated. The duplex is formed again when the cis-azobenzene is converted to the trans-azobenzene by irradi...
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ژورنال
عنوان ژورنال: Chemistry - An Asian Journal
سال: 2018
ISSN: 1861-4728
DOI: 10.1002/asia.201800006