Since the 1950s, scientists have used radio waves to uncover molecular "fingerprints" of unknown materials, enabling technologies like MRI machines and explosive detection systems. However, these methods rely on signals averaged from trillions of atoms, making it impossible to detect subtle variations between individual molecules—a critical limitation for fields such as protein research, where tiny structural differences can determine health outcomes.

Now, engineers at the University of Pennsylvania School of Engineering and Applied Science (Penn Engineering) have harnessed quantum sensors to develop an advanced form of nuclear quadrupolar resonance (NQR) spectroscopy. Traditionally used to detect drugs, explosives, and analyze pharmaceuticals, this enhanced technique, described in Nano Letters, is precise enough to capture NQR signals from individual atoms—an achievement once deemed unattainable.

"This technique allows us to isolate individual nuclei and reveal tiny differences in what were thought to be identical molecules," said Lee Bassett, Associate Professor in Electrical and Systems Engineering and Director of Penn's Quantum Engineering Laboratory (QEL). "By focusing on a single nucleus, we can uncover details about molecular structure and dynamics that were previously hidden, opening new possibilities to study the building blocks of the natural world."

The discovery emerged unexpectedly during routine experiments with nitrogen-vacancy (NV) centers in diamonds, atomic-scale defects commonly used in quantum sensing. Alex Breitweiser, a co-first author of the study and recent doctoral graduate in Physics from Penn, noticed unusual patterns in the data that persisted despite extensive troubleshooting. After revisiting mid-20th-century nuclear magnetic resonance textbooks, Breitweiser identified a dismissed physical mechanism that could explain the findings.

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Advances in quantum sensing technology enabled the team to measure effects once beyond the reach of scientific instruments. "We realized we weren't just seeing an anomaly," Breitweiser, now a researcher at IBM, explained. "We were accessing a new regime of physics with this technology."

The team further developed the method through collaboration with Delft University of Technology in the Netherlands. By combining expertise in experimental physics, quantum sensing, and theoretical modeling, they achieved unprecedented precision in capturing signals from individual atoms.

"This is like isolating a single row in a massive spreadsheet," said Mathieu Ouellet, the paper’s other co-first author and a recent doctoral graduate in Electrical and Systems Engineering. "Traditional NQR provides an averaged overview, but our method isolates individual data points, uncovering the unique properties of a single nucleus."

This breakthrough could revolutionize fields like drug development, where understanding atomic-level molecular interactions is critical. By unveiling previously hidden details of molecular structures, the technique opens the door to advancements in medicine, materials science, and beyond.