Nuclear Quantum Effects on the Dynamics of Bulk Water and Supercooled Aqueous Solutions

≈ 1.3, consistent with quantum simulations attributing this difference to NQEs. At supercooled temperatures (200 K), the isotope ratio ρ increases moderately to ≈2 in neutral poly(vinyl methyl ether) solutions, and reaches ≈4 for fast-water relaxation in basic lysine solutions, revealing a 3-fold enhancement of NQEs. These findings demonstrate that biological environments can amplify the magnitude of NQEs on water dynamics, with implications for biochemistry and quantum-accurate aqueous modeling.

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Publication Details

Journal
The Journal of Physical Chemistry Letters
Published
2026-04-15
DOI
https://doi.org/10.1021/acs.jpclett.6c00307
Primary Topic
Spectroscopy and Quantum Chemical Studies
Type
article
Field-Weighted Citation Impact
0.00

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article

Nuclear Quantum Effects on the Dynamics of Bulk Water and Supercooled Aqueous Solutions

Jorge H. Melillo, Silvina Cerveny
The Journal of Physical Chemistry Letters
Spectroscopy and Quantum Chemical Studies
article

Nuclear Quantum Effects on the Dynamics of Bulk Water and Supercooled Aqueous Solutions

Jorge H. Melillo, Silvina Cerveny
article en

Abstract

≈ 1.3, consistent with quantum simulations attributing this difference to NQEs. At supercooled temperatures (200 K), the isotope ratio ρ increases moderately to ≈2 in neutral poly(vinyl methyl ether) solutions, and reaches ≈4 for fast-water relaxation in basic lysine solutions, revealing a 3-fold enhancement of NQEs. These findings demonstrate that biological environments can amplify the magnitude of NQEs on water dynamics, with implications for biochemistry and quantum-accurate aqueous modeling.

The Journal of Physical Chemistry LettersVol. 17(17)
Material Physics Center (ES), Donostia International Physics Center (ES)
Ministerio de Ciencia, Innovación y Universidades, Eusko Jaurlaritza
Clean water and sanitation
Openalex Percentile: Top 21%
Spectroscopy and Quantum Chemical Studies
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Nuclear Quantum Effects on the Dynamics of Bulk Water and Supercooled Aqueous Solutions — Jorge H. Melillo, Silvina Cerveny · The Journal of Physical Chemistry Letters (2026) | TGRS Research Map | TGRS