ArticleNature communications2018
Orientation of non-spherical protonated water clusters revealed by infrared absorption dichroism.
Article in Nature communications, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed.
- Sub-diffractional infrared absorption of two-dimensional water.Nature communications · 2026Article
- Quantifying hydrogen bonding using electrically tunable nanoconfined water.Nature communications · 2025Article
- Spectral signatures of excess-proton waiting and transfer-path dynamics in aqueous hydrochloric acid solutions.Nature communications · 2022Article
- Ultrafast proton-coupled isomerization in the phototransformation of phytochrome.Nature chemistry · 2022Article
- Anharmonic Vibrational Calculations Based on Group-Localized Coordinates: Applications to Internal Water Molecules in Bacteriorhodopsin.Journal of chemical theory and computation · 2021Article
- Protein Motifs for Proton Transfers That Build the Transmembrane Proton Gradient.Frontiers in chemistry · 2021Review
- The influence of molecular vicinity (expressed in terms of dielectric constant) on the infrared spectra of embedded species in ices and solid matrices.RSC advances · 2020Article
- pH-Dependent Water Clusters in Photoacid Solution: Real-Time Observation by ToF-SIMS at a Submicropore Confined Liquid-Vacuum Interface.Frontiers in chemistry · 2020Article
- Characterization of Intact Eukaryotic Cells with Subcellular Spatial Resolution by Photothermal-Induced Resonance Infrared Spectroscopy and Imaging.Molecules (Basel, Switzerland) · 2019Article
- Non-Markovian barrier crossing with two-time-scale memory is dominated by the faster memory component.The European physical journal. E, Soft matter · 2019Article
- Acid solvation versus dissociation at "stardust conditions": Reaction sequence matters.Science advances · 2019Article
- Self-Assembled Monolayer Enables Slurry-Coating of Li Anode.ACS central science · 2019Article
- Salt Bridge in Aqueous Solution: Strong Structural Motifs but Weak Enthalpic Effect.Scientific reports · 2018Article
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Infrared continuum bands that extend over a broad frequency range are a key spectral signature of protonated water clusters. They are observed for many membrane proteins that contain internal water molecules, but their microscopic mechanism has remained unclear. Here we compute infrared spectra for protonated and unprotonated water chains, discs, and droplets from ab initio molecular dynamics simulations. The continuum bands of the protonated clusters exhibit significant anisotropy for chains and discs, with increased absorption along the direction of maximal cluster extension. We show that the continuum band arises from the nuclei motion near the excess charge, with a long-ranged amplification due to the electronic polarizability. Our experimental, polarization-resolved light-dark difference spectrum of the light-driven proton pump bacteriorhodopsin exhibits a pronounced dichroic continuum band. Our results suggest that the protonated water cluster responsible for the continuum band of bacteriorhodopsin is oriented perpendicularly to the membrane normal.
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