NMR spectral simplification with imidazolium ionic liquid-coated silica nanoparticles
Available online 8 January 2026
NMR spectral simplification is a powerful strategy for facilitating the analysis and structural characterization of complex mixtures. In this work, we present a nanoparticle-assisted protocol that employs...
Production of isotope-labeled nanobody KN035 in Pichia pastoris yields native-like conformation and PD-L1 binding activity comparable to KN035 expressed in mammalian cells
Available online 7 January 2026
Stable isotope-labeled proteins are indispensable for NMR-based structural studies. E. coli is a cost-effective and high-yield expression host, but it often fails to support proper folding and post-translational...
Impact of mutual and environmental dipole-dipole interactions on the relaxation of MQ NMR coherences in two-spin system in course of their excitation and reconversion
Available online 7 January 2026
The relaxation of multiple-quantum (MQ) NMR coherences on the excitation and reconversion periods of MQ NMR experiment was investigated for the spin-pairs coupled by dipole-dipole interaction. The 1H...
Heptanuclear iron complex as a potential contrast agent for MRI
Available online 30 December 2025
A heptanuclear complex of the composition [Fe(II)(CN)6{Fe(III)](L)}6](SCN)2, where L = dianion N,N-bis(1-hydroxy-2-benzylidene)-1,7-diamino-4-azageptane has been studied as a potential contrast agent...
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
Chemical exchange saturation transfer NMR: An analytical tool and its applications
Available online 26 November 2025
NMR spectroscopy has proven to be a powerful tool for elucidating structural information and studying dynamic processes. Among NMR techniques, chemical exchange saturation transfer (CEST) is particularly...
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...