2023
DOI: 10.3390/ijms241612614
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Shedding Light on the Photophysics and Photochemistry of I-Motifs Using Quantum Mechanical Calculations

Abstract: I-motifs are non-canonical DNA structures formed by intercalated hemiprotonated (CH·C)+ pairs, i.e., formed by a cytosine (C) and a protonated cytosine (CH+), which are currently drawing great attention due to their biological relevance and promising nanotechnological properties. It is important to characterize the processes occurring in I-motifs following irradiation by UV light because they can lead to harmful consequences for genetic code and because optical spectroscopies are the most-used tools to charact… Show more

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Cited by 4 publications
(2 citation statements)
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“…T exc is suggested to be nonreactive because ground-state recovery is favored over CPD formation (Figure S6). Because previous calculations of a stacked cytosine dimer 31 and i-motif structures 75 without metal ions suggested the opposite, we studied how Ag + ion complexation affects the photoreactivity. We repeated all calculations starting from the T exc state, but with the Ag + ions removed.…”
Section: Discussionmentioning
confidence: 99%
“…T exc is suggested to be nonreactive because ground-state recovery is favored over CPD formation (Figure S6). Because previous calculations of a stacked cytosine dimer 31 and i-motif structures 75 without metal ions suggested the opposite, we studied how Ag + ion complexation affects the photoreactivity. We repeated all calculations starting from the T exc state, but with the Ag + ions removed.…”
Section: Discussionmentioning
confidence: 99%
“…DNA GQ structures are known to be fairly pH-insensitive [ 32 ]. Interestingly, the i-motif formed by the complementary strand of the GQ sequence is very pH-dependent and needs pH values lower than the physiological one [ 63 , 64 , 65 , 66 ]. Our RNA GQs were also found to be quite pH-insensitive, although a small destabilization trend was observed at higher pH values.…”
Section: Discussionmentioning
confidence: 99%