{"title":"Measurement of protein non-covalent interactions in buffer and cells","authors":"Jingwen Li , Xiangfei Song , Lishan Yao","doi":"10.1016/j.mrl.2024.200173","DOIUrl":"10.1016/j.mrl.2024.200173","url":null,"abstract":"<div><div>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, <em>J</em>-coupling, and other related techniques, has reached a level of maturity that allows for the determination of protein structures. Furthermore, NMR relaxation methods prove to be highly effective in characterizing protein dynamics across various timescales. The properties of protein systems are dictated by intra- and intermolecular interactions among atoms, which involve covalent bonds, hydrogen bonds (H-bonds), electrostatic interactions, and van der Waals forces. Multiple NMR approaches have been developed to measure noncovalent interactions, and this paper offers a concise overview of noncovalent interaction measurements using NMR, with a specific emphasis on the advancements accomplished in our laboratory.</div></div>","PeriodicalId":93594,"journal":{"name":"Magnetic Resonance Letters","volume":"5 2","pages":"Article 200173"},"PeriodicalIF":0.0,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213456","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yongjie Zhao , Ranhong Xie , Ke Huang , Huan Su , Jiangfeng Guo
{"title":"A hybrid denoising method for low-field nuclear magnetic resonance data","authors":"Yongjie Zhao , Ranhong Xie , Ke Huang , Huan Su , Jiangfeng Guo","doi":"10.1016/j.mrl.2024.200167","DOIUrl":"10.1016/j.mrl.2024.200167","url":null,"abstract":"<div><div>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 signals with relatively low signal-to-noise ratio (SNR), resulting in poor accuracy of <em>T</em><sub>2</sub> spectrum inversion. It is crucial to preprocess the low SNR data with denoising methods before inversion. In this paper, a hybrid NMR data denoising method combining empirical mode decomposition-singular value decomposition (EMD-SVD) was proposed. Firstly, the echo data were decomposed with the EMD method to low- and high-frequency intrinsic mode function (IMF) components as well as a residual. Next, the SVD method was employed for the high-frequency IMF components denoising. Finally, the low-frequency IMF components, the denoised high-frequency IMF components, and the residual are summed to form the denoised signal. To validate the effectiveness and feasibility of the EMD-SVD method, numerical simulations, experimental data, and NMR log data processing were conducted. The results indicate that the inverted NMR spectra with the EMD-SVD denoising method exhibit higher quality compared to the EMD method and the SVD method.</div></div>","PeriodicalId":93594,"journal":{"name":"Magnetic Resonance Letters","volume":"5 2","pages":"Article 200167"},"PeriodicalIF":0.0,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213453","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Artificial intelligence goes from predicting structure to predicting stability","authors":"Gary J. Pielak , Conggang Li , Maili Liu","doi":"10.1016/j.mrl.2025.200176","DOIUrl":"10.1016/j.mrl.2025.200176","url":null,"abstract":"","PeriodicalId":93594,"journal":{"name":"Magnetic Resonance Letters","volume":"5 1","pages":"Article 200176"},"PeriodicalIF":0.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143609286","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Huiqin Zhang , Yong Liu , Yunyan Li , Maosen Ruan , Shu Zhou , Junfeng Wang , Jing Yang
{"title":"Biophysical and NMR analysis reveals binding affinity between HAX1 and CLPB proteins","authors":"Huiqin Zhang , Yong Liu , Yunyan Li , Maosen Ruan , Shu Zhou , Junfeng Wang , Jing Yang","doi":"10.1016/j.mrl.2024.200141","DOIUrl":"10.1016/j.mrl.2024.200141","url":null,"abstract":"<div><div>HCLS1-associated protein X-1 (HAX1) is a multifunctional mitochondrial protein involved in the regulation of apoptosis, a crucial process of programmed cell death, and mRNA processing. Despite its significance, limited structural data is available for HAX1, hindering a comprehensive understanding of its biological function. Notably, the caseinolytic mitochondrial matrix peptidase chaperone subunit B (CLPB) has been identified as an interacting partner of HAX1, yet the biophysical properties and binding affinity governing their interaction remain poorly defined. In this study, we present a thorough biophysical characterization of full-length human HAX1 and CLPB, accomplished through recombinant expression and purification. By employing size exclusion chromatography, dynamic light scattering, and circular dichroism spectroscopy, we successfully established their biophysical properties, revealing contrasting structural features, with CLPB displaying α-helical content and HAX1 exhibiting a disordered nature. Moreover, we employed solution-state nuclear magnetic resonance (NMR) spectroscopy to probe their binding affinity. Our findings demonstrate the formation of stable multimeric complexes between HAX1 and CLPB, and we quantified a dissociation constant in the low range of micro-molar for their high affinity interaction. These results lay the foundation for further in-depth investigations into the dynamics and energetics governing the HAX1-CLPB interaction, ultimately contributing to a comprehensive understanding of their functional mechanisms.</div></div>","PeriodicalId":93594,"journal":{"name":"Magnetic Resonance Letters","volume":"5 1","pages":"Article 200141"},"PeriodicalIF":0.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143609281","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yirong Zhou , Yanhuang Wu , Yuhan Su , Jing Li , Jianyu Cai , Yongfu You , Jianjun Zhou , Di Guo , Xiaobo Qu
{"title":"Cloud-magnetic resonance imaging system: In the era of 6G and artificial intelligence","authors":"Yirong Zhou , Yanhuang Wu , Yuhan Su , Jing Li , Jianyu Cai , Yongfu You , Jianjun Zhou , Di Guo , Xiaobo Qu","doi":"10.1016/j.mrl.2024.200138","DOIUrl":"10.1016/j.mrl.2024.200138","url":null,"abstract":"<div><div>Magnetic resonance imaging (MRI) plays an important role in medical diagnosis, generating petabytes of image data annually in large hospitals. This voluminous data stream requires a significant amount of network bandwidth and extensive storage infrastructure. Additionally, local data processing demands substantial manpower and hardware investments. Data isolation across different healthcare institutions hinders cross-institutional collaboration in clinics and research. In this work, we anticipate an innovative MRI system and its four generations that integrate emerging distributed cloud computing, 6G bandwidth, edge computing, federated learning, and blockchain technology. This system is called Cloud-MRI, aiming at solving the problems of MRI data storage security, transmission speed, artificial intelligence (AI) algorithm maintenance, hardware upgrading, and collaborative work. The workflow commences with the transformation of <em>k</em>-space raw data into the standardized Imaging Society for Magnetic Resonance in Medicine Raw Data (ISMRMRD) format. Then, the data are uploaded to the cloud or edge nodes for fast image reconstruction, neural network training, and automatic analysis. Then, the outcomes are seamlessly transmitted to clinics or research institutes for diagnosis and other services. The Cloud-MRI system will save the raw imaging data, reduce the risk of data loss, facilitate inter-institutional medical collaboration, and finally improve diagnostic accuracy and work efficiency.</div></div>","PeriodicalId":93594,"journal":{"name":"Magnetic Resonance Letters","volume":"5 1","pages":"Article 200138"},"PeriodicalIF":0.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143609284","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Numerical design of transverse gradient coil with transformed magnetic gradient field over an effective imaging area","authors":"Chaoqun Niu , Hongyi Qu","doi":"10.1016/j.mrl.2024.200139","DOIUrl":"10.1016/j.mrl.2024.200139","url":null,"abstract":"<div><div>Gradient coil is an essential component of a magnetic resonance imaging (MRI) scanner. To achieve high spatial resolution and imaging speed, a high-efficiency gradient coil with high slew rate is required. In consideration of the safety and comfort of the patient, the mechanical stability, acoustic noise and peripheral nerve stimulation (PNS) are also need to be concerned for practical use. In our previous work, a high-efficiency whole-body gradient coil set with a hybrid cylindrical-planar structure has been presented, which offers significantly improved coil performances. In this work, we propose to design this transverse gradient coil system with transformed magnetic gradient fields. By shifting up the zero point of gradient fields, the designed new Y-gradient coil could provide enhanced electromagnetic performances. With more uniform coil winding arrangement, the net torque of the new coil is significantly reduced and the generated sound pressure level (SPL) is lower at most tested frequency bands. On the other hand, the new transverse gradient coil designed with rotated magnetic gradient fields produces considerably reduced electric field in the human body, which is important for the use of rapid MR sequences. It's demonstrated that a safer and patient-friendly design could be obtained by using transformed magnetic gradient fields, which is critical for practical use.</div></div>","PeriodicalId":93594,"journal":{"name":"Magnetic Resonance Letters","volume":"5 1","pages":"Article 200139"},"PeriodicalIF":0.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143609283","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zonglin Li , Xiaobing Lou , Shinuo Kang , Dingming Liu , Fushan Geng , Ming Shen , Bingwen Hu
{"title":"In-cell dehydration of sodium manganese hexacyanoferrate cathode revealed by solid-state NMR","authors":"Zonglin Li , Xiaobing Lou , Shinuo Kang , Dingming Liu , Fushan Geng , Ming Shen , Bingwen Hu","doi":"10.1016/j.mrl.2024.200135","DOIUrl":"10.1016/j.mrl.2024.200135","url":null,"abstract":"<div><div>The hard-to-remove lattice water has been regarded as a significant obstacle impeding the practical use of Prussian blue analogue cathodes for sodium-ion batteries. This work monitored the electrochemical evolution of a hydrated monoclinic sodium manganese hexacyanoferrate cathode by solid-state nuclear magnetic resonance (NMR). For the first time, we established a correlation between the chemical shifts of <sup>23</sup>Na NMR signals and the presence or absence of lattice water within this cathode. Through this method, we verified the electrochemical dehydration process that coincides with the merging of two redox platforms and a phase transformation in the initial cycles. Furthermore, we discovered that the lattice water is completely removed after several-day cell rest following a single activation cycle.</div></div>","PeriodicalId":93594,"journal":{"name":"Magnetic Resonance Letters","volume":"5 1","pages":"Article 200135"},"PeriodicalIF":0.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141028118","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Light-induced nuclear spin hyperpolarization at high magnetic fields","authors":"Yi Ji, Guangjin Hou","doi":"10.1016/j.mrl.2024.200158","DOIUrl":"10.1016/j.mrl.2024.200158","url":null,"abstract":"","PeriodicalId":93594,"journal":{"name":"Magnetic Resonance Letters","volume":"5 1","pages":"Article 200158"},"PeriodicalIF":0.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143609288","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}