A5084215389- DNA and Nucleic Acid Chemistry
- Protein Structure and Dynamics
- RNA and protein synthesis mechanisms
- DNA Repair Mechanisms
- Spectroscopy and Quantum Chemical Studies
- Advanced biosensing and bioanalysis techniques
- Chemical Reactions and Isotopes
- Bacteriophages and microbial interactions
- Surface and Thin Film Phenomena
- Muon and positron interactions and applications
- Photosynthetic Processes and Mechanisms
- Electrostatics and Colloid Interactions
- Photoreceptor and optogenetics research
- Metabolomics and Mass Spectrometry Studies
- Nanopore and Nanochannel Transport Studies
- Chemical and Physical Properties of Materials
- History and advancements in chemistry
- Electronic and Structural Properties of Oxides
- Computational Drug Discovery Methods
- Graphene research and applications
- Mass Spectrometry Techniques and Applications
- Analytical Chemistry and Chromatography
- Spectroscopy and Laser Applications
- Semiconductor Quantum Structures and Devices
- Microbial Metabolic Engineering and Bioproduction
Arizona State University
2024-2025
University of Surrey
2018-2023
Leverhulme Trust
2021
Guildford Hospital
2020
Understanding the rules of life is one most important scientific endeavours and has revolutionised both biology biotechnology. Remarkable advances in observation techniques allow us to investigate a broad range complex dynamic biological processes which living systems could exploit quantum behaviour enhance regulate functions. Recent evidence suggests that these non-trivial mechanical effects may play crucial role maintaining non-equilibrium state biomolecular systems. Quantum study such...
Abstract One of the most important topics in molecular biology is genetic stability DNA. threat to this proton transfer along hydrogen bonds DNA that could lead tautomerisation, hence creating point mutations. We present a theoretical analysis between Guanine-Cytosine (G-C) nucleotide, which includes an accurate model structure base pairs, quantum dynamics bond proton, and influence decoherent dissipative cellular environment. determine tunnelling contribution rate several orders magnitude...
Proton transfer along the hydrogen bonds of DNA can lead to creation short-lived, but biologically relevant point mutations that further gene mutation and, potentially, cancer.
ADVERTISEMENT RETURN TO ARTICLES ASAPPREVFirst ReactionsNEXTMeasuring Molecular ComplexityLeroy Cronin and his team showcase experiments to measure molecular complexity using spectroscopic techniques, applicable in drug discovery, characterizing molecule evolution, life detection.Louie SlocombeLouie SlocombeBeyond Center for Fundamental Concepts Science, Arizona State University, Tempe, 85287-0506, United StatesMore by Louie Slocombe Sara Imari WalkerSara WalkerSchool of Earth Space...
Understanding water behaviour on 2D materials is crucial for sensing, microfluidics, and tribology. While water/graphene interactions are well studied, hexagonal boron nitride (h-BN) remains largely unexplored. Despite structural similarity to graphene, h-BN's slightly polar B-N bonds impart a large band gap, high thermal conductivity, chemical stability, making it promising electronics, lubricants, coatings. Moreover, existing studies often focus multilayer dynamics, overlooking...
We present CBR-db, a curated biochemical reaction database that integrates and refines data from the Kyoto Encyclopedia of Genes Genomes (KEGG) ATLAS Biochemistry databases to enable chemically consistent analyses data. This curation effort addresses key limitations both KEGG ATLAS, such as malformed chemical representations, inaccurate stoichiometry, ambiguous or incomplete entries. These are addressed in enabling more realistic reactions hypothesized networks constructed these, which...
Abstract Proton transfer between the DNA bases can lead to mutagenic Guanine-Cytosine tautomers. Over past several decades, a heated debate has emerged over biological impact of tautomeric forms. Here, we determine that energy required for generating tautomers radically changes during separation double-stranded DNA. Density Functional Theory calculations indicate double proton in follows sequential, step-like mechanism where reaction barrier increases quasi-linearly with strand separation....
The adenine-thymine tautomer (A*-T*) has previously been discounted as a spontaneous mutagenesis mechanism due to the energetic instability of tautomeric configuration. We study stability A*-T* while nucleobases undergo DNA strand separation. Our calculations indicate an increase in strands unzip and hydrogen bonds between bases stretch. Molecular Dynamics simulations reveal time scales dynamics separation statistical ensemble opening angles present biological environment. results...
The misincorporation of a noncomplementary DNA base in the polymerase active site is critical source replication errors that can lead to genetic mutations. In this work, we model mechanism wobble mispairing and subsequent rate by coupling first-principles quantum chemistry calculations an open systems master equation. This methodology allows us accurately calculate proton transfer between bases, allowing formation mutagenic tautomeric forms bases. Our calculated rates error are excellent...
Terahertz radiation impinging on a lit neon tube causes additional ionization of the encapsulated gas. As result, electrical current flowing between electrodes increases and glow discharge in brightens. These dual phenomena suggest two distinct modes terahertz sensing. The mode simply involves measuring current. optical monitoring brightness weakly ionized plasma discharge. Here, we directly compare detection under identical experimental conditions. We measure 0.1-THz modulated at...
A combined study of density functional theory calculations and<sup>3</sup>He spin echo spectroscopy, finds sodium to change adsorption site on Ru(0001), from hollow top, as the coverage is reduced.
Hachimoji DNA is a synthetic nucleic acid extension of DNA, formed by an additional four bases, Z, P, S, and B, that can encode information sustain Darwinian evolution. In this paper, we aim to look into the properties hachimoji investigate probability proton transfer between resulting in base mismatch under replication. First, present mechanism for analogous one presented Löwdin years prior. Then, use density functional theory calculate rates, tunnelling factors kinetic isotope effect DNA....
Proton transfer across hydrogen bonds in DNA can produce non-canonical nucleobase dimers and is a possible source of single-point mutations when these forms mismatch under replication. Previous computational studies have revealed this process to be energetically feasible for the guanine-cytosine (GC) base pair, but tautomeric product (G[Formula: see text]C[Formula: text]) short-lived. In work we reveal, first time, direct effect replisome enzymes on proton transfer, rectifying shortcomings...
Proton transfer across hydrogen bonds in DNA can produce non-canonical nucleobase dimers and is a possible source of single-point mutations when these forms mismatch under replication. Previous computational studies have revealed this process to be energetically feasible for the guanine-cytosine (GC) base pair, but tautomeric product (G*C*) short-lived. In work we reveal, first time, direct effect replisome enzymes on proton transfer, rectifying shortcomings existing models. Multi-scale...
The adenine-thymine tautomer (A*-T*) has previously been discounted as a spontaneous mutagenesis mechanism due to the energetic instability of tautomeric configuration. We study stability A*-T* while nucleobases undergo DNA strand separation. Our calculations indicate an increase in strands unzip and hydrogen bonds between bases stretch. Molecular Dynamics simulations reveal timescales dynamics separation statistical ensemble opening angles present biological environment. results demonstrate...
The misincorporation of a non-complimentary DNA base in the polymerase active site is critical source replication errors that can lead to genetic mutations. In this work, we model mechanism wobble mispairing and subsequent rate by coupling first-principles quantum chemistry calculations an open systems master equation. This methodology allows us accurately calculate proton transfer between bases, allowing formation mutagenic tautomeric forms bases. Our mechanic predicts existence short-lived...
One of the most important topics in molecular biology is genetic stability DNA. threat to this proton transfer along hydrogen bonds DNA that could lead tautomerisation, hence creating point mutations. We present a theoretical analysis between Guanine-Cytosine (G-C) nucleotide, which includes an accurate model structure base pairs, quantum dynamics bond proton, and influence decoherent dissipative cellular environment. determine tunnelling contribution process several orders magnitude larger...