Nature Search

Distinct solvation patterns of OH⁻ versus H₃O⁺ charge defects at electrified gold/water interfaces govern their properties

H₃O⁺ and OH⁻ mediate electrochemical processes at water/metal electrode interfaces. Here, the authors show that these ions form distinct solvation structures on electrified gold surfaces: OH⁺ remains in close contact with the electrode, while H₃O⁺ resides farther away.

Chanbum Park
Soumya Ghosh
Dominik Marx
ResearchOpen Access19 Sept 2025
Nature Communications

Volume: 16, P: 1-12
Structural quantum effects and three-centre two-electron bonding in CH⁺₅

Dominik Marx
Michele Parrinello
Research18 May 1995
Nature

Volume: 375, P: 216-218
Evaluation study of radial and spiral based volumetric thermometry for monitoring of hepatic microwave ablation

Dominik Horstmann
Othmar Belker
Marcel Gutberlet
ResearchOpen Access24 Sept 2025
Scientific Reports

Volume: 15, P: 1-13
Nanoconfinement effects on hydrated excess protons in layered materials

An understanding of excess protons in nanoconfined water is highly relevant to technological applications such as fuel cell membranes. Here, ab initiosimulation reveals almost barrier-free proton transfer even in the limit of molecularly thin water films confined by mineral sheets.

Daniel Muñoz-Santiburcio
Carsten Wittekindt
Dominik Marx
Research16 Aug 2013
Nature Communications

Volume: 4, P: 1-5
Quantum-induced symmetry breaking explains infrared spectra of CH₅⁺ isotopologues

Stepwise deuteration of protonated methane CH₅⁺ — a fluxional structure that undergoes ‘hydrogen scrambling’ — leads to dramatic changes in the infrared spectra of the isotopologues. The spectra can be assigned using ab initio quantum simulations that account for the non-classical occupation — by H and D atoms — of topologically different sites within the molecule.

Sergei D. Ivanov
Oskar Asvany
Stephan Schlemmer
Research28 Feb 2010
Nature Chemistry

Volume: 2, P: 298-302
The nature of the hydrated excess proton in water

Dominik Marx
Mark E. Tuckerman
Michele Parrinello
Research18 Feb 1999
Nature

Volume: 397, P: 601-604
On the complex structural diffusion of proton holes in nanoconfined alkaline solutions within slit pores

Confined liquids can exhibit very different properties compared with the bulk. Here, the authors show that the migration mechanism of the hydroxide anion in water is greatly affected by bi-dimensional nano-confinement and strongly depends on the width of the confined space.

Daniel Muñoz-Santiburcio
Dominik Marx
ResearchOpen Access23 Aug 2016
Nature Communications

Volume: 7, P: 1-9
Protons in concert

The transfer of protons across a high barrier only occasionally occurs through quantum-mechanical tunnelling. Low-temperature scanning tunnelling microscopy shows concerted tunnelling of four protons within chiral cyclic water tetramers supported on an inert surface.

Christof Drechsel-Grau
Dominik Marx
News & Views16 Feb 2015
Nature Physics

Volume: 11, P: 216-218
Pressure modulates the self-cleavage step of the hairpin ribozyme

Studying the reactivity of ribozymes under extreme pressure could provide insights to optimize biocatalytic RNA design. Here, the authors show that at high pressure the transesterification step of the hairpin ribozyme self-cleavage reaction accelerates, while the overall process is slower.

Caroline Schuabb
Narendra Kumar
Roland Winter
ResearchOpen Access30 Mar 2017
Nature Communications

Volume: 8, P: 1-10
Tunnelling and zero-point motion in high-pressure ice

Magali Benoit
Dominik Marx
Michele Parrinello
Research19 Mar 1998
Nature

Volume: 392, P: 258-261
Primary cells suppress oncogene-dependent apoptosis

Dominik M. Duelli
Yuri A. Lazebnik
Research10 Oct 2000
Nature Cell Biology

Volume: 2, P: 859-862
The nature and transport mechanism of hydrated hydroxide ions in aqueous solution

Mark E. Tuckerman
Dominik Marx
Michele Parrinello
Research27 Jun 2002
Nature

Volume: 417, P: 925-929
The Janus-faced role of external forces in mechanochemical disulfide bond cleavage

Using ab initio simulations external mechanical forces are shown to trigger structural changes to disulfide bridges that result in conformations that are less susceptible to nucleophilic attack. This finding is crucial for the interpretation of recent force microscopy experiments, and could be important for understanding protein regulation.

Przemyslaw Dopieralski
Jordi Ribas-Arino
Dominik Marx
Research16 Jun 2013
Nature Chemistry

Volume: 5, P: 685-691
Unexpected mechanochemical complexity in the mechanistic scenarios of disulfide bond reduction in alkaline solution

The controlled mechanical activation of specific covalent bonds is a rapidly expanding field in chemistry. Now, it is shown that disulfide bond reduction proceeds through different mechanisms depending on the external force applied. This strongly suggests that refined models should be used when interpreting mechanochemical experiments, particularly when sonication is involved.

Przemyslaw Dopieralski
Jordi Ribas–Arino
Dominik Marx
Research24 Oct 2016
Nature Chemistry

Volume: 9, P: 164-170
Subnanomolar MAS-related G protein-coupled receptor-X2/B2 antagonists with efficacy in human mast cells and disease models

Ghazl Al Hamwi
Mohamad Wessam Alnouri
Christa E. Müller
ResearchOpen Access21 Apr 2025
Signal Transduction and Targeted Therapy

Volume: 10, P: 1-17

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