Quantum attomicroscopy: imaging quantum chemistry in action

TL;DR

This paper introduces the concept of a quantum attosecond microscope to image ultrafast charge migration in DNA, combining theoretical simulations with the potential for future experimental realization to advance understanding of quantum chemistry in biological systems.

Contribution

It proposes a novel quantum attosecond imaging technique, the Q-attomicroscope, for real-time visualization of charge dynamics in DNA at attosecond and nanometer scales.

Findings

Base-dependent ionization mechanisms revealed by simulations

Directional charge migration pathways identified

Proposal for imaging DNA charge migration dynamics

Abstract

How quantum electron and nuclei motions affect biomolecular chemical reactions remains a central challengeable question at the interface of quantum chemistry and biology. Ultrafast charge migration in deoxyribonucleic acid (DNA) has long been hypothesized to play a critical role in photochemistry, genome stability, and long-range biomolecular signaling, however, direct real-time observation of these electronic processes has remained elusive. Here, we present a theoretical investigation and propose the concept of future experimental measurements of laser-driven charge dynamics in the canonical DNA nucleobase pairs thymine_adenine and cytosine_guanine. Attosecond-resolved simulations employing high-level ab initio methods reveal base-dependent ionization mechanisms, directional charge migration pathways, and electronic coherences that govern sub-femtosecond redistribution of electron density across hydrogen-bonded nucleobase interfaces. Accordingly, we propose the concept of a quantum attosecond scanning electron microscope, termed the quantum attomicroscope (Q-attomicroscope), a capable of imaging photoinduced quantum chemistry reactions in attosecond temporal resolution and sub-nanometer spatial precision. As a proof of principle, we propose to image the charge migrations dynamics in DNA which we studied theoretically. Together, our preceptive bridges theory, instrumentation, and control, outlining a pathway toward laser mediated manipulation of DNA structure with implications for repair processes, chemical reactivity, and future personalized medicine.