NMR methods for investigating functionally relevant biomolecular dynamics
November 2025
The dynamics of biomolecules span across a wide range of timescales, reflecting the complexity of free energy landscapes of biomolecules. Among these, the microsecond-to-millisecond (μs–ms) timescale...
Validity of the Gaussian phase distribution approximation for analysis of isotropic diffusion encoding applied to restricted diffusion in a cylinder
November 2025
The Gaussian phase distribution approximation enables analysis of restricted diffusion encoded by general gradient waveforms but fails to account for the diffraction-like features that may occur for...
Revisiting classical diffusion magnetic resonance methods as a means to measure time-dependent diffusion
November 2025
The field of diffusion microstructural magnetic resonance (MR) aims to probe time-dependent diffusion, i.e., an ensemble-averaged mean-squared displacement ⟨r2(t)⟩ that is not linear in time. This time-dependence...
Rapid and quantitative 1D 13C NMR analysis of polypropylene tacticity with relaxation agent and proton polarization transfer
November 2025
Polypropylene (PP) accounts for approximately 28.0% of the global polyolefin market, valued at $243.4 billion in 2022. Known for its lightweight, chemical resistance, cost-effectiveness, high strength...
NMR-guided rational exploration of co-factors in boosting the Pfu DNA polymerase
November 2025
With rapid developments of emerging technologies like synthetic biology, the demand for DNA polymerases with superior activities including higher thermostability and processivity has increased significantly....
Transmembrane association of DDR1 and DDR2 mediated by Leucine zipper motifs
November 2025
Discoidin domain receptors (DDRs) are single-pass transmembrane proteins belonging to receptor tyrosine kinases (RTKs) family, which are activated by collagen ligands with unusual slow, sustained kinetics,...
Characterization of kerogen nanopores using 2D NMR relaxation and MD simulations
November 2025
The characterization of kerogen nanopores is crucial for predicting the geostorage capacity and recoverability of natural gas in unconventional gas shale reservoirs. Towards this end, a powerful technique...
OFC: Outside Front Cover
November 2025
Fast three-dimensional NMR spectroscopy reconstruction based on Hankel matrix with two-directional sliding windows
Available online 4 November 2025
Nuclear magnetic resonance (NMR) spectroscopy has grown into a formidable tool in biomedical analysis and quantification. However, the lengthy acquisition for high-dimensional NMR spectroscopy hinders...
A random fractional 13C labeling strategy for P. pastoris expressed eukaryotic membrane proteins for solid-state NMR studies
Available online 3 November 2025
Solid-state NMR (SSNMR) has emerged as an important technique for characterizing membrane protein structures. Using sparse 13C labeling of membrane proteins can significantly enhance spectral resolution....
Fragment-based discovery of TopBP1 inhibitors integrated with AI-driven molecular docking
Available online 30 October 2025
DNA topoisomerase IIβ-binding protein 1 (TopBP1) converges on multiple oncogenic pathways, e.g., Rb, p53, and PI3K/Akt, which are hallmarks of most cancer progression. However, the lack of structural...
Structural anisotropy in celery stalks by microscopic MRI and polarized light microscopy
Available online 23 October 2025
Structural anisotropy of celery stalks was studied using T2 anisotropy in microscopic MRI (μMRI) and supplemented by quantitative polarized light microscopy (PLM) at optical resolutions. Parenchyma,...
Truncated enhanced constraint for low-rank plus sparse in cardiac dynamic MRI reconstruction
Available online 11 September 2025
Cardiac dynamic MRI has been widely used in cine and perfusion imaging, in which low-rank and sparse priors play an important role in reconstructing dynamic images with high temporal and spatial resolution...
Single-scan ultra-selective probing on targeted components from overlapped NMR spectra
Available online 11 September 2025
Benefitting from the non-invasive and quantitative detection property, liquid NMR spectroscopy shows broad applications in the identification, separation, and structural determination of chemical substances...
Femtotesla atomic magnetometer for zero- and ultralow-field nuclear magnetic resonance
August 2025
Zero- and ultralow-field nuclear magnetic resonance (ZULF NMR) has experienced rapid development and provides an excellent tool for diverse research fields ranging from materials science and quantum...
Adaptive k-space learning and high-dimensional subsets embedding for parallel MRI reconstruction
August 2025
Magnetic resonance imaging (MRI) inherently requires considerable time for data acquisition, but obtaining multi-contrast MRI data further prolongs this process, thereby increasing susceptibility to...
The rise of NMR-integrated fragment-based drug discovery in China
August 2025
Nuclear magnetic resonance (NMR) spectroscopy is an indispensable tool to probe weak protein-ligand interactions, which are key to the hit identification and hit-to-lead evolution in fragment-based...
Dynamic nuclear polarization and chemically induced hyperpolarization: Progress, mechanisms, and opportunities
August 2025
Nuclear magnetic resonance (NMR) spectroscopy is a powerful and broadly used spectroscopic technique for characterizing molecular structures and dynamics. Yet the power of NMR is restricted by its inherently...
Cryoporometry for short T2 samples: A T1 filter method applied to battery electrode characterization
August 2025
The pore size distribution is often an important parameter for transport processes in porous media. Cryoporometry experiments can provide such data in the meso and macropore size up to 1 μm providing...
A magnetically compatible, arbitrary positioning system for accurate spatial mapping of magnetic fields for shimming studies in MRI
August 2025
After the fabrication of magnetic resonance superconducting magnets, the magnetic field inhomogeneity needs to be accurately measured for subsequent shimming. However, conventional measurement methods...
19F NMR study of proteins with parallel incorporation of multiple fluorinated aromatic amino acids
August 2025
Although the parallel incorporation of fluorinated aromatic amino acids (FAAAs) into proteins has been explored since 2010, the corresponding 19F NMR investigation has been lacking to date. To assess...
Rigid and stable nitroxide spin label for high-resolution distance measurements on proteins by DEER experiments
August 2025
The distance distributions between two site-specifically anchored spin labels in a protein, measured by pulsed electron-electron double resonance (PELDOR or DEER), provide rich sources of structural...
Achieving 40% room-temperature ODMR contrast in molecular systems through chemical tuning
August 2025
OFC: Outside Front Cover
August 2025