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
FlexCENT: A frequency-flexible CEST imaging network combining frequency offset encoding and three-dimensional U-Net
Available online 29 August 2025
This study proposes a deep learning-based method termed frequency-flexible chemical exchange saturation transfer (CEST) imaging network (FlexCENT), which enables robust CEST quantification across variable...
Mean pore diameters of 3D printed micro-capillaries using the matrix pencil method
Available online 8 August 2025
The matrix pencil method (MPM) is an approach for quantitative analysis of the multi-exponential time-domain signals from relaxation and diffusion NMR experiments. In contrast to other signal processing...
Spin-echo measurements for capillary rheometry at low field
Available online 29 July 2025
A single spin-echo, acquired in the presence of a constant magnetic field gradient, has a phase proportional to the average velocity of the sample and an amplitude determined by the distribution of...
Passive water exchange between multiple sites can explain why apparent exchange rate constants depend on ionic and osmotic conditions in gray matter
Available online 23 July 2025
Porous materials, such as biological tissue, often have heterogeneous microstructures where imbibed fluid experiences distinct environments on short timescales, but can exchange among different environments...
Iterative decomposition of water and fat with echo asymmetry and least-squares estimation (IDEAL-IQ) for evaluation of early bone mass changes in ageing osteoporosis patients
May 2025
This study explored the application value of iterative decomposition of water and fat with echo asymmetry and least-squares estimation (IDEAL-IQ) technology in the early diagnosis of ageing osteoporosis...
A hybrid denoising method for low-field nuclear magnetic resonance data
May 2025
Low-field nuclear magnetic resonance (NMR) has broad application prospects in the exploration and development of unconventional oil and gas reservoirs. However, NMR instruments tend to acquire echo...
An amphiphilic peptide with unnatural amino acids as an alignment medium for RDC measurements
May 2025
The multiple oligopeptides have been regarded as promising alignment media due to their structural diverseness and tendency for self-assembly in solution. Herein, an assembled amphiphilic peptide alignment...
Applications of nuclear magnetic resonance in exploring structure and energy storage mechanism of supercapacitors
May 2025
Supercapacitors, comprising electrical double-layer capacitors (EDLCs) and pseudocapacitors, are widely acknowledged as high-power energy storage devices. However, their local structures and fundamental...
Measurement of protein non-covalent interactions in buffer and cells
May 2025
Nuclear magnetic resonance (NMR) serves as a powerful tool for studying both the structure and dynamics of proteins. The NOE method, alongside residual dipolar; coupling, paramagnetic effects, J-coupling,...
Unraveling boron-organic template interactions in [B, Al]-ZSM-5 zeolite using solid-state NMR spectroscopy
May 2025
Organic structure directing agents (OSDAs), such as tetrapropylammonium (TPA) cations, serve as crucial templates for the formation of zeolite frameworks. These organic molecules interact with inorganic...
OFC: Outside Front Cover
May 2025