New Technique Predicts Hydrogen Bond Strength in Water

A breakthrough by researchers at The University of Manchester sheds light on one of nature's most elusive forces, with wide-reaching implications for medicine, energy, climate modelling and more.

Researchers at The University of Manchester have developed a ground-breaking method to precisely measure the strength of hydrogen bonds in confined water systems, an advance that could transform our understanding of water's role in biology, materials science, and technology. The work, published in Nature Communications, introduces a fundamentally new way to think about one of nature's most important but difficult-to-quantify interactions.

Hydrogen bonds are the invisible forces that hold water molecules together, giving water its unique properties, from high boiling point to surface tension, and enabling critical biological functions such as protein folding and DNA structure. Yet despite their significance, quantifying hydrogen bonds in complex or confined environments has long been a challenge.

"For decades, scientists have struggled to measure hydrogen bond strength with precision," said Professor Artem Mishchenko, who led the study with Dr Qian Yang and Dr Ziwei Wang. "Our approach reframes hydrogen bonds as electrostatic interactions between dipoles and an electric field, which allows us to calculate their strength directly from spectroscopic data."

Lead author of the paper Dr Ziwei Wang, holding gypsum crystal, in front of the Raman spectrometer.

The team used gypsum (CaSO₄·2H₂O), a naturally occurring mineral that contains two-dimensional layers of crystalline water, as their model system. By applying external electric fields to water molecules trapped between the mineral's layers, and tracking their vibrational response using high-resolution spectroscopy, the researchers were able to quantify hydrogen bonding with unprecedented accuracy.

"What's most exciting is the predictive power of this technique," said Dr Yang. "With a simple spectroscopic measurement, we can predict how water behaves in confined environments that were previously difficult to probe, something that normally requires complex simulations or remains entirely inaccessible."

The implications are broad and compelling. In water purification, this method could help engineers fine-tune membrane materials to optimise hydrogen bonding, improving water flow and selectivity while reducing energy costs. In drug development, it offers a way to predict how water binds to molecules and their targets, potentially accelerating the design of more soluble and effective drugs. It could enhance climate models by enabling more accurate simulations of water's phase transitions in clouds and the atmosphere. In energy storage, the discovery lays the foundation for "hydrogen bond heterostructures", engineered materials with tailored hydrogen bonding that could dramatically boost battery performance. And in biomedicine, the findings could help create implantable sensors with better compatibility and longer lifespans by precisely controlling water-surface interactions.

"Our work provides a framework to understand and manipulate hydrogen bonding in ways that weren't possible before," said Dr Wang, first author of the paper. "It opens the door to designing new materials and technologies, from better catalysts to smarter membranes, based on the hidden physics of water."

This research was published in the journal Nature Communications.

Full title: Quantifying hydrogen bonding using electrically tunable nanoconfined water

DOI: https://doi.org/10.1038/s41467-025-58608-6 [doi.org]

The research was supported by the European Research Council and UK Research and Innovation (UKRI).

The National Graphene Institute (NGI) is a world-leading graphene and 2D material centre, focussed on fundamental research. Based at The University of Manchester, where graphene was first isolated in 2004 by Professors Sir Andre Geim and Sir Kostya Novoselov, it is home to leaders in their field - a community of research specialists delivering transformative discovery. This expertise is matched by £13m leading-edge facilities, such as the largest class 5 and 6 cleanrooms in global academia, which gives the NGI the capabilities to advance underpinning industrial applications in key areas including: composites, functional membranes, energy, membranes for green hydrogen, ultra-high vacuum 2D materials, nanomedicine, 2D based printed electronics, and characterisation.

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