Spontaneous oxidation in aqueous microdroplets: water radical cation as primary oxidizing agent

L Qiu, RG Cooks - Angewandte Chemie, 2024 - Wiley Online Library
Exploration of the unique chemical properties of interfaces can unlock new understanding. A
striking example is the finding of accelerated reactions, particularly spontaneous oxidation …

Simultaneous and spontaneous oxidation and reduction in microdroplets by the water radical cation/anion pair

L Qiu, RG Cooks - Angewandte Chemie, 2022 - Wiley Online Library
Microdroplets show unique chemistry, especially in their intrinsic redox properties, and to
this we here add a case of simultaneous and spontaneous oxidation and reduction. We …

Spontaneous water radical cation oxidation at double bonds in microdroplets

L Qiu, NM Morato, KH Huang, RG Cooks - Frontiers in Chemistry, 2022 - frontiersin.org
Spontaneous oxidation of compounds containing diverse X= Y moieties (eg, sulfonamides,
ketones, esters, sulfones) occurs readily in organic-solvent microdroplets. This surprising …

Ultrafast processes occurring in radiolysis of highly concentrated solutions of nucleosides/tides

J Ma, SA Denisov, A Adhikary, M Mostafavi - International Journal of …, 2019 - mdpi.com
Among the radicals (hydroxyl radical (• OH), hydrogen atom (H•), and solvated electron
(esol−)) that are generated via water radiolysis,• OH has been shown to be the main …

Spontaneous oxidation of aromatic sulfones to sulfonic acids in microdroplets

L Qiu, MD Psimos, RG Cooks - Journal of the American Society for …, 2022 - ACS Publications
Reactions in microdroplets can be accelerated and can present unique chemistry compared
to reactions in bulk solution. Here, we report the accelerated oxidation of aromatic sulfones …

Reactivity of prehydrated electrons toward nucleobases and nucleotides in aqueous solution

J Ma, F Wang, SA Denisov, A Adhikary… - Science advances, 2017 - science.org
DNA damage induced via dissociative attachment by low-energy electrons (0 to 20 eV) is
well studied in both gas and condensed phases. However, the reactivity of ultrashort-lived …

Transient kinetics of short-chain perfluoroalkyl sulfonate with radiolytic reducing species

Z Jiang, D Adjei, SA Denisov… - … Science & Technology …, 2022 - ACS Publications
The role of the short-lived hydrated electron (eaq–) has recently begun to be appreciated in
per-and polyfluoroalkyl substances (PFAS) remediations; nevertheless, few studies to date …

Structural, dynamical, and electronic properties of liquid water: A hybrid functional study

F Ambrosio, G Miceli, A Pasquarello - The Journal of Physical …, 2016 - ACS Publications
We study structural, dynamical, and electronic properties of liquid water through ab initio
molecular dynamics (MD) simulations based on a hybrid functional which includes nonlocal …

Absolute energy levels of liquid water

F Ambrosio, Z Guo, A Pasquarello - The journal of physical …, 2018 - ACS Publications
We determine the ionization potential (IP) and the electron affinity (EA) of liquid water
together with the absolute redox level of the standard hydrogen electrode (SHE) by …

Observation of a transient intermediate in the ultrafast relaxation dynamics of the excess electron in strong-field-ionized liquid water

PJ Low, W Chu, Z Nie, MS Bin Mohd Yusof… - Nature …, 2022 - nature.com
A unified picture of the electronic relaxation dynamics of ionized liquid water has remained
elusive despite decades of study. Here, we employ sub-two-cycle visible to short-wave …