DNA hydrogels and nanogels for diagnostics, therapeutics, and theragnostics of various cancers

I Zare, R Taheri-Ledari, F Esmailzadeh, MM Salehi… - Nanoscale, 2023 - pubs.rsc.org
As an efficient class of hydrogel-based therapeutic drug delivery systems, deoxyribonucleic
acid (DNA) hydrogels (particularly DNA nanogels) have attracted massive attention in the …

An open quantum systems approach to proton tunnelling in DNA

L Slocombe, M Sacchi, J Al-Khalili - Communications Physics, 2022 - nature.com
One of the most important topics in molecular biology is the genetic stability of DNA. One
threat to this stability is proton transfer along the hydrogen bonds of DNA that could lead to …

Structural insights into tautomeric dynamics in nucleic acids and in antiviral nucleoside analogs

BI Fedeles, D Li, V Singh - Frontiers in Molecular Biosciences, 2022 - frontiersin.org
DNA (2′-deoxyribonucleic acid) and RNA (ribonucleic acid) play diverse functional roles in
biology and disease. Despite being comprised primarily of only four cognate nucleobases …

Tautomerism and Rotamerism of Favipiravir and Halogenated Analogues in Solution and in the Solid State

AH Romero, G Fuentes, L Suescun, O Piro… - The Journal of …, 2023 - ACS Publications
Favipiravir is an important selective antiviral against RNA-based viruses, and currently, it is
being repurposed as a potential drug for the treatment of COVID-19. This type of chemical …

Hydrogen bonding in natural and unnatural base pairs—a local vibrational mode study

N Beiranvand, M Freindorf, E Kraka - Molecules, 2021 - mdpi.com
In this work hydrogen bonding in a diverse set of 36 unnatural and the three natural Watson
Crick base pairs adenine (A)–thymine (T), adenine (A)–uracil (U) and guanine (G)–cytosine …

Environmental and Nuclear Quantum Effects on Double Proton Transfer in the Guanine–Cytosine Base Pair

F Angiolari, S Huppert, F Pietrucci… - The Journal of Physical …, 2023 - ACS Publications
In the present letter, we investigate the double proton transfer (DPT) tautomerization process
in guanine–cytosine (GC) DNA base pairs. In particular, we study the influence of the …

Quantum tunnelling effects in the Guanine-Thymine Wobble misincorporation via tautomerism

L Slocombe, M Winokan, J Al-Khalili… - The journal of physical …, 2022 - ACS Publications
The misincorporation of a noncomplementary DNA base in the polymerase active site is a
critical source of replication errors that can lead to genetic mutations. In this work, we model …

Proton transfer during DNA strand separation as a source of mutagenic guanine-cytosine tautomers

L Slocombe, M Winokan, J Al-Khalili… - Communications …, 2022 - nature.com
Proton transfer between the DNA bases can lead to mutagenic Guanine-Cytosine tautomers.
Over the past several decades, a heated debate has emerged over the biological impact of …

Investigating the Spectroscopy of the Gas Phase Guanine–Cytosine Pair: Keto versus Enol Configurations

G Botti, M Ceotto, R Conte - The Journal of Physical Chemistry …, 2023 - ACS Publications
We report on a vibrational study of the guanine–cytosine dimer tautomers using state-of-the-
art quasiclassical trajectory and semiclassical vibrational spectroscopy. The latter includes …

The selective function of quantum biological electron transfer between DNA bases and metal ions in DNA replication

X Zhang, Z Zhu, W Liu, F Gao, J Guo… - The Journal of …, 2022 - ACS Publications
Metal ions play vital roles in the electron transfer between biological molecules in humans,
animals, and plants. However, the electron transfer between metal ions and nucleic acids …