Photophysical properties of fluorescent nucleobase P-analogues expected to monitor DNA replication

Beyond Explored Functionals: A Computational Journey of Two-Photon Absorption

“…The design of dyes with large cross sections requires an understanding of the photophysical properties, long-range charge transfer, structural substituent effects, and solvatochromism of the systems of interest. − However, the determination of such properties of fluorescent dyes is a complex process since several factors affect them, such as the used measurement method, absorption and emission wavelengths, chemical structures, quantum yield, and solvent. − In this area, computational chemistry has emerged as a valuable asset, − where it serves as a useful tool to elucidate experimental findings as well as examine various properties, such as excited state energies (Δ E ), − oscillator strengths ( f ), , dipole moments (μ), , and their influence on the values of σ 2PA . , …”

Quasi-intrinsic fluorescent probes for detecting the DNA adduct (ABPdG) based on an excited-state intermolecular charge transfer mechanism

“…[10][11][12] For instance, a set of fluorescent P-analogues have been proposed to monitor DNA replication. 13 In addition, the uracil derivative ts T has been reported to be able to detect local dynamic motions associated with base pair mismatches due to its bright fluorescence emissions in a variety of solvents. 14 Recently, Wilhelmsson et al 15 found a new adenine analogue 2CNqA that can be utilized as a donor for interbase Fo ¨rster resonance energy transfer (FRET) applications.…”

Nitro rotation tuned dissociative electron attachment upon targeted radiosensitizer 4-substituted Z bases

“…1, halogen substitution was performed on the C4 site of the 6amino-5-nitro-3-(1 0 -b-D-2 0 -deoxyribofuranosyl)-2(1H)-pyridone (Z), which pairs with the purine analog 2-amino-8-(1 0 -b-D-2 0 -deoxyribofuranosyl)-imidazo[1,2-a]-1,3,5-triazin-4(8H)-one (P). [35][36][37][38][39][40][41] Previous studies have found that the artificial base pair ZP can not only mimic the natural bases in terms of the structure, but also encode genetic information without affecting gene expression, and thus provide the possibility to construct functional bases. 42 More importantly, the ZP base pairs are proved to be able to combine selectively with liver and breast cancer cells, and are more effective in recognition by DNA polymerases due to the nitro group of the Z-base.…”