Long-Lived Spin Order in Aliphatic Chains | Dr. Kirill Sheberstov | Session 106

During the 106th session of the Global NMR Discussion Meetings held on September 23rd, 2025, via Zoom, Dr. Kirill Sheberstov from the CNRS, France, gave a talk on the topic "Long-Lived Spin Order in Aliphatic Chains: From Quantum Delocalization to Biomedical Applications". The recording serves as a tutorial.

Find out more about Dr. Kirill Sheberstov's research :
https://www.researchgate.net/profile/...

Abstract:
Aliphatic chains, among the most common motifs in chemistry and biology, conceal an unexpected quantum secret: they host nuclear spin singlet states that are delocalized across the chain. As a result, selective excitation of a single CH₂ group can immediately alter the state of distant CH₂ units, a striking manifestation of quantum delocalization in everyday molecules (1,2). Beyond this static picture, aliphatic chains also support the propagation of spin order, where J-coupling–driven dynamics continuously redistribute singlet–triplet imbalances along the chain (3). Together, these effects highlight the analogy between methylene sequences and one-dimensional nuclear spin chains, bridging chemistry with concepts from condensed matter physics.

These long-lived states are not mere curiosities: their lifetimes can exceed T₁ by large factors, they can be efficiently hyperpolarized (4), and they offer rich possibilities for MRI contrast, drug screening, and probing conformational dynamics such as methylene rotations. In this talk, I will present recent evidence for delocalized singlets and spin-order propagation in aliphatic chains, and discuss how these surprising quantum phenomena can be harnessed for applications at the interface of chemistry, biology, and medicine.

(1) A. Sonnefeld, G. Bodenhausen, and K. Sheberstov, “Polychromatic Excitation of Delocalized Long-Lived Proton Spin States in Aliphatic Chains,” Phys. Rev. Lett. 129(18), 183203 (2022).

(2) A. Sonnefeld, A. Razanahoera, P. Pelupessy, G. Bodenhausen, and K. Sheberstov, “Long-lived states of methylene protons in achiral molecules,” Sci. Adv. 8(48), eade2113 (2022).

(3) K.F. Sheberstov, A. Sonnefeld, and G. Bodenhausen, “Collective Long-Lived Zero-Quantum Coherences in Aliphatic Chains,” J. Chem. Phys. 160, 144308 (2024).

(4) A. Razanahoera, A. Sonnefeld, K. Sheberstov, P. Narwal, M. Minaei, K. Kouřil, G. Bodenhausen, and B. Meier, “Hyperpolarization of Long-Lived States of Protons in Aliphatic Chains by Bullet Dynamic Nuclear Polarization, Revealed on the Fly by Spin-Lock-Induced Crossing,” J. Phys. Chem. Lett. 15(35), 9024–9029 (2024).


Content of this video :
00:00 - 08:05 A theoritical introduction to quantum delocalization in aliphatic chains
08:06 - 13:23 Underlying theory behind LLS
13:24 - 28:22 LLS spin systems and pulse sequences for their study
28:23 - 32:56 LLS for ligand binding interaction
32:57 - 35:00 MRI constrast using LLS
35:01 - 43:41 Q&A

Current organizers:
Adrian Draney (Creighton Uni.)
Amrit Venkatesh (University of Virginia)
Asif Equbal (New York Uni., Abu Dhabi)
Blake Wilson (Robert Tycko Lab, NIH)
Charlotte Bocquelet (HMRLab, CRMN Lyon)
Diganta Sarkar (Alberta Uni.)
Julie Buhl (Uni. JKU Linz)
Marcel Levien (Emsley Lab, EPFL)
Mengshan Ye (Miller Institute, UC Berkeley)
Michael Hope (Warwick Uni.)
Mouzhe Xie (Arizona State Uni.)
Nikita Rao (Indian Institute of Science, Bangalore)
Nesreen Elathram (Debelouchina Lab, UCSD)
Tamali Nag (Uni. of Lille/Grenoble)