A recurring and significant finding across diverse biological and macromolecular systems is that the frequency dependence of the spin–lattice relaxation rate often cannot be well fitted with a single correlation time but rather follows a power-law function. This power-law dependence is attributed to the dynamics of rare, strongly bound water molecules trapped on rugged macromolecular surfaces, with a Pareto distribution of correlation times. Here, we show that power-law dependences naturally emerge from a broad distribution of correlation times with weighting factors proportional to 1/τ(1−α). We derive analytical expressions for limiting cases and perform numerical simulations demonstrating that this distribution of correlation times generates power-law exponents closely matching α over wide frequency windows. We validate this framework by fitting Nuclear Magnetic Relaxation Dispersion (NMRD) profiles of sedimented proteins, biological tissues, cross-linked hydrogels, and protein solutions. This approach establishes a physical interpretation of power-law relaxation, enabling the extraction of dynamic information otherwise inaccessible.

From Power‐Law to Correlation‐Time Distributions: A Unified Framework for the Analysis of Nuclear Magnetic Relaxation Dispersion (NMRD) Profiles of Complex Biological Systems / Parigi, G., Kubrak, A.. - In: MAGNETIC RESONANCE IN CHEMISTRY. - ISSN 0749-1581. - STAMPA. - 64:(2026), pp. 494-505. [10.1002/mrc.70093]

From Power‐Law to Correlation‐Time Distributions: A Unified Framework for the Analysis of Nuclear Magnetic Relaxation Dispersion (NMRD) Profiles of Complex Biological Systems

Parigi, Giacomo
;
Kubrak, Adam
2026

Abstract

A recurring and significant finding across diverse biological and macromolecular systems is that the frequency dependence of the spin–lattice relaxation rate often cannot be well fitted with a single correlation time but rather follows a power-law function. This power-law dependence is attributed to the dynamics of rare, strongly bound water molecules trapped on rugged macromolecular surfaces, with a Pareto distribution of correlation times. Here, we show that power-law dependences naturally emerge from a broad distribution of correlation times with weighting factors proportional to 1/τ(1−α). We derive analytical expressions for limiting cases and perform numerical simulations demonstrating that this distribution of correlation times generates power-law exponents closely matching α over wide frequency windows. We validate this framework by fitting Nuclear Magnetic Relaxation Dispersion (NMRD) profiles of sedimented proteins, biological tissues, cross-linked hydrogels, and protein solutions. This approach establishes a physical interpretation of power-law relaxation, enabling the extraction of dynamic information otherwise inaccessible.
2026
64
494
505
Parigi, Giacomo; Kubrak, Adam
File in questo prodotto:
File Dimensione Formato  
powerLaw.pdf

accesso aperto

Tipologia: Pdf editoriale (Version of record)
Licenza: Open Access
Dimensione 965.05 kB
Formato Adobe PDF
965.05 kB Adobe PDF

I documenti in FLORE sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificatore per citare o creare un link a questa risorsa: https://hdl.handle.net/2158/1489113
Citazioni
  • ???jsp.display-item.citation.pmc??? 1
  • Scopus 0
  • ???jsp.display-item.citation.isi??? 0
social impact