Magnetic Resonance Letters最新文献

{"title":"Achieving 40% room-temperature ODMR contrast in molecular systems through chemical tuning","authors":"Fushan Geng, Bingwen Hu","doi":"10.1016/j.mrl.2025.200228","DOIUrl":"10.1016/j.mrl.2025.200228","url":null,"abstract":"","PeriodicalId":93594,"journal":{"name":"Magnetic Resonance Letters","volume":"5 3","pages":"Article 200228"},"PeriodicalIF":1.7,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144934218","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":"19F NMR study of proteins with parallel incorporation of multiple fluorinated aromatic amino acids","authors":"Manman Li ,&nbsp;Guohua Xu ,&nbsp;Qiong Wu ,&nbsp;Ling Jiang ,&nbsp;Conggang Li","doi":"10.1016/j.mrl.2025.200193","DOIUrl":"10.1016/j.mrl.2025.200193","url":null,"abstract":"<div><div>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 the potential of the parallel incorporation of FAAAs in studies of protein structure, dynamics and interactions, we examine the protein yields, fluorine incorporation efficiencies, and ¹⁹F NMR spectra upon simultaneously incorporating FAAAs including 3-fluorotyrosine (3FY), 4-fluorophenylalanine (4FF) and 5-fluorotryptophan (5FW) into two model proteins: the structured protein GB1 domain (GB1) and the intrinsically disordered protein α-synuclein (α-syn). We found that the simultaneous incorporation of 3FY and 5FW achieved higher efficiency than combinations of 4FF and 5FW, 4FF and 3FY, or 3FY, 4FF and 5FW. Moreover, incorporating more types of FAAAs leads to a reduction in overall yield. The ¹⁹F spectra of 3FY, 4FF and 5FW residues in α-syn and GB1 exhibited good dispersion of chemical shifts. However, the GB1 spectrum showed complexity due to incomplete fluorination and interactions within aromatic cluster. This complexity could be significantly reduced by supplementing the medium with natural aromatic amino acids. To validate the advantage of ¹⁹F NMR spectrum, we use 3FY-4FF-5FW-F94W-α-syn to investigate the interaction between α-syn and sodium dodecyl sulphate (SDS) micelle. Our study demonstrates that ¹⁹F NMR spectroscopy of proteins with parallel incorporation of FAAAs provides a valuable tool for investigating protein conformation, dynamics and interactions.</div></div>","PeriodicalId":93594,"journal":{"name":"Magnetic Resonance Letters","volume":"5 3","pages":"Article 200193"},"PeriodicalIF":1.7,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144934215","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":"Femtotesla atomic magnetometer for zero- and ultralow-field nuclear magnetic resonance","authors":"Taizhou Hong ,&nbsp;Yuanhong Wang ,&nbsp;Zhenhan Shao ,&nbsp;Qing Li ,&nbsp;Min Jiang ,&nbsp;Xinhua Peng","doi":"10.1016/j.mrl.2024.200170","DOIUrl":"10.1016/j.mrl.2024.200170","url":null,"abstract":"<div><div>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 information processing to fundamental physics. The detection of ZULF NMR signals in samples with natural abundance remains a challenging endeavor, due to the limited sensitivity of NMR detectors and thermal polarization. In this work, we demonstrate a femtotesla (fT) Potassium spin-exchange relaxation-free (SERF) magnetometer designed for ZULF NMR detection. A Potassium vapor cell with high buffer gas pressure and high atomic number density is used in the magnetometer. With absorption spectroscopy and SERF effect, the key parameters of the vapor cell are characterized and applied to optimize the magnetometer sensitivity. To combine our SERF magnetometer and ZULF NMR detection, a custom-made vacuum chamber is employed to keep NMR sample close to the magnetometer cell and protect the sample from undesired heating effects. Gradiometric measurement is performed to greatly reduce the magnetic noise. With the phase calibration applied, the gradiometric measurement achieves 7-fold enhancement in magnetic-field sensitivity compared to the single channel and has a magnetic noise floor of 1.2 fT/Hz^1/2. Our SERF magnetometer exhibits high sensitivity and is promising to realize ZULF NMR detection of samples with natural abundance.</div></div>","PeriodicalId":93594,"journal":{"name":"Magnetic Resonance Letters","volume":"5 3","pages":"Article 200170"},"PeriodicalIF":1.7,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144934273","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":"Unraveling boron-organic template interactions in [B, Al]-ZSM-5 zeolite using solid-state NMR spectroscopy","authors":"Yongxiang Wang ,&nbsp;Shuangqin Zeng ,&nbsp;Pengfei Wang ,&nbsp;Mingji Zheng ,&nbsp;Weidong Huang ,&nbsp;Yueying Chu ,&nbsp;Ningdong Feng ,&nbsp;Guodong Qi ,&nbsp;Qiang Wang ,&nbsp;Jun Xu ,&nbsp;Feng Deng","doi":"10.1016/j.mrl.2024.200174","DOIUrl":"10.1016/j.mrl.2024.200174","url":null,"abstract":"<div><div>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 species, guiding the assembly of the zeolite structure. In this study, we investigate the complex interplay between boron species and TPA cations during the crystallization of [B, Al]-ZSM-5 zeolites. Two-dimensional(2D) ¹¹B-{¹H} cross-polarization heteronuclear correlation (CP-HECTOR) NMR experiments elucidate distinct interactions between two boron species, B(IV)-1 and B(IV)-2, and the propyl chain of the TPAs. Amorphous B(IV)-1 species exhibit a strong preference for proximity to the nitrogen cation center of the OSDAs, while framework B(IV)-2 species engage with components situated at greater distances from the cation center. Moreover, ¹³C-{¹¹B} symmetry-based resonance-echo saturation-pulse double-resonance (<em>S</em>-RESPDOR) experiments revealed that framework boron species preferentially occupy the straight channels of the MFI structure, as evidenced by their interaction with specific methyl groups on the TPA molecules. This observation provides valuable insights into the crystallization mechanism of boron-based zeolites, suggesting that the conformation and orientation of the OSDA molecules play a critical role in determining the location of boron atoms within the zeolite framework.</div></div>","PeriodicalId":93594,"journal":{"name":"Magnetic Resonance Letters","volume":"5 2","pages":"Article 200174"},"PeriodicalIF":0.0,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213457","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":"Raising microwave power drives solid effect DNP enhancements beyond 500 at 9.4 T","authors":"Hong Shi ,&nbsp;Qingjia Bao ,&nbsp;Xin Zhou ,&nbsp;Maili Liu ,&nbsp;Chaoyang Liu","doi":"10.1016/j.mrl.2025.200192","DOIUrl":"10.1016/j.mrl.2025.200192","url":null,"abstract":"","PeriodicalId":93594,"journal":{"name":"Magnetic Resonance Letters","volume":"5 2","pages":"Article 200192"},"PeriodicalIF":0.0,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213458","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":"An amphiphilic peptide with unnatural amino acids as an alignment medium for RDC measurements","authors":"Yishen Wang ,&nbsp;Haizhi Yin ,&nbsp;Yanling Yang ,&nbsp;Zheng-Hui Li ,&nbsp;Gao-Wei Li ,&nbsp;Xinxiang Lei","doi":"10.1016/j.mrl.2024.200171","DOIUrl":"10.1016/j.mrl.2024.200171","url":null,"abstract":"<div><div>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 medium, i.e., C₁₅–CONH-Phg-Phg-IIIKK-CONH₂ with unnatural amino acids for the determination of anisotropic parameters of NMR is introduced. The amphiphilic peptide can be self-assembled at low concentrations in DMSO and is stable and highly homogeneous. The NMR spectrum collected with the addition of the medium had fewer background signals. The utility of the acquired RDC data is demonstrated to determine relative configuration of three natural products, Helminthosporic acid, Estrone, and α-Santonin.</div></div>","PeriodicalId":93594,"journal":{"name":"Magnetic Resonance Letters","volume":"5 2","pages":"Article 200171"},"PeriodicalIF":0.0,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213454","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":"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","authors":"Yonggui Yang ,&nbsp;Fang Chen ,&nbsp;Xiufen Wu ,&nbsp;Xinyu Xu ,&nbsp;Pu-Yeh Wu","doi":"10.1016/j.mrl.2024.200157","DOIUrl":"10.1016/j.mrl.2024.200157","url":null,"abstract":"<div><div>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 (OP). 172 participants were enrolled and underwent magnetic resonance imaging (MRI) examinations on a 3.0T scanner. 100 cases were included in the normal group (50 males and 50 females; mean age: 45 years; age range: 20–84 years). 33 cases were included in the osteopenia group (17 males and 16 females; mean age: 55 years; age range: 43–83 years). 39 cases were included in the OP group (19 males and 20 females; mean age: 58 years; age range: 48–82 years). Conventional T₁WI and T₂WI were first obtained, followed by 3D-IDEAL-IQ-acquisition. Fat fraction (<em>FF</em>) and apparent transverse relaxation rate (<em>R</em>₂^∗) results were automatically calculated from IDEAL-IQ-images on the console. Based on T₁W and T₂W-images, 300 ROIs for each participant were manually delineated in L₁-L₅ vertebral bodies of five middle slices. In each age group of all normal subjects, each parameter was significantly correlated with gender. In male participants from the normal, osteopenia, and OP groups, statistical analysis revealed <em>F</em> values of 11319.292 and 180.130 for comparisons involving <em>FF</em> and <em>R</em>₂^∗ values, respectively (all <em>p</em> &lt; 0.0001). The sensitivity and specificity of <em>FF</em> values were 0.906 and 0.950, 0.994 and 0.997, 0.865 and 0.820, respectively. For <em>R</em>₂^∗, they were 0.665 and 0.616, 0.563 and 0.519, 0.571 and 0.368, respectively. In female participants from the normal, osteopenia, and OP-groups, statistical analysis revealed <em>F</em> values of 12461.658 and 548.274 for comparisons involving <em>FF</em> and <em>R</em>₂^∗ values, respectively (all <em>p</em> &lt; 0.0001). The sensitivity and specificity of <em>FF</em> values were 0.985 and 0.991, 0.996 and 0.996, 0.581 and 0.678, respectively. For <em>R</em>₂^∗, they were 0.698 and 0.730, 0.603 and 0.665, 0.622 and 0.525, respectively. Significant differences were indicated in the quantitative values among the three groups. <em>FF</em> value had good performance, while <em>R</em>₂^∗ value had poor performance in discriminating osteopenia and OP-groups. Overall, the IDEAL-IQ technique offers specific reference indices that enable noninvasive and quantitative assessment of lumbar vertebrae bone metabolism, thereby providing diagnostic information for OP.</div></div>","PeriodicalId":93594,"journal":{"name":"Magnetic Resonance Letters","volume":"5 2","pages":"Article 200157"},"PeriodicalIF":0.0,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213452","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":"Structural and functional neural correlates of sensorimotor deficits in progression of hepatic encephalopathy","authors":"Guanchen Sha ,&nbsp;Yuefan Liu ,&nbsp;Yutong Cao ,&nbsp;Qi Zhang ,&nbsp;Yining Zhang ,&nbsp;Yuanyuan Chen ,&nbsp;Qiuyun Fan ,&nbsp;Yue Cheng","doi":"10.1016/j.mrl.2024.200156","DOIUrl":"10.1016/j.mrl.2024.200156","url":null,"abstract":"<div><div>Hepatic encephalopathy (HE) is a neurological condition that occurs as a complication of liver dysfunction that involves sensorimotor symptoms in addition to cognitive and behavioral changes, particularly in cases of severe liver disease or cirrhosis. Previous studies have reported spatially distributed structural and functional abnormalities related to HE, but the exact relationship between the structural and functional alterations with respect to disease progression remains unclear. In this study, we performed surface-based cortical thickness comparisons and functional connectivity (FC) analyses between three cross-sectional groups: healthy controls (HC, <em>N</em> = 51), patients with minimal hepatic encephalopathy (MHE, <em>N</em> = 50), patients with overt hepatic encephalopathy (OHE, <em>N</em> = 51). In addition to the distributed cortical thinning that is extensively thought to be associated with cognitive decline in HE, we found significant cortical thickening in the left parahippocampal gyrus cortex in the OHE group (<em>p</em> &lt; 0.001, <em>p</em> = 0.009) as compared to the HC and MHE group respectively, which is further corroborated by the significant correlation between the cortical thickness and digit symbol test (DST) scores. Furthermore, the decreased FC between the right postcentral gyrus and several sensory regions (bilateral somatosensory and visual cortices) was found to be significant in MHE patients as compared to the HC group. Our results revealed cross-sectional structural and functional variations concerning disease progression across different subsystems (e.g., visual, motor and sensory), providing evidence that can potentially explain the mechanisms underlying the sensorimotor and cognitive deficits related to HE.</div></div>","PeriodicalId":93594,"journal":{"name":"Magnetic Resonance Letters","volume":"5 2","pages":"Article 200156"},"PeriodicalIF":0.0,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213451","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":"Applications of nuclear magnetic resonance in exploring structure and energy storage mechanism of supercapacitors","authors":"Yang Du,&nbsp;Hua Huo","doi":"10.1016/j.mrl.2024.200172","DOIUrl":"10.1016/j.mrl.2024.200172","url":null,"abstract":"<div><div>Supercapacitors, comprising electrical double-layer capacitors (EDLCs) and pseudocapacitors, are widely acknowledged as high-power energy storage devices. However, their local structures and fundamental mechanisms remain poorly understood, and suitable experimental techniques for investigation are also lacking. Recently, nuclear magnetic resonance (NMR) has emerged as a powerful tool for addressing these fundamental issues with high local sensitivity and non-invasiveness. In this paper, we first review the limitations of existing characterization methods and highlight the advantages of NMR in investigating mechanisms of supercapacitors. Subsequently, we introduce the basic principle of ring current effect, NMR-active nuclei, and various NMR techniques employed in exploring energy storage mechanisms including cross polarization (CP) magic angle spinning (MAS) NMR, multiple-quantum (MQ) MAS, two-dimensional exchange spectroscopy (2D-EXSY) NMR, magnetic resonance imaging (MRI) and pulsed-field gradient (PFG) NMR. Based on this, recent progress in investigating energy storage mechanisms in EDLCs and pseudocapacitors through various NMR techniques is discussed. Finally, an outlook on future directions for NMR research in supercapacitors is offered.</div></div>","PeriodicalId":93594,"journal":{"name":"Magnetic Resonance Letters","volume":"5 2","pages":"Article 200172"},"PeriodicalIF":0.0,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213455","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":"OFC: Outside Front Cover","authors":"","doi":"10.1016/S2772-5162(25)00034-8","DOIUrl":"10.1016/S2772-5162(25)00034-8","url":null,"abstract":"","PeriodicalId":93594,"journal":{"name":"Magnetic Resonance Letters","volume":"5 2","pages":"Article 200209"},"PeriodicalIF":0.0,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213450","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}