Magnetic Resonance in Chemistry最新文献

{"title":"Advanced Interpretation of Field Cycling NMR Relaxometry Dispersion Profiles From Hard and Soft Materials","authors":"David A. Faux,&nbsp;Rémi Kogon","doi":"10.1002/mrc.70089","DOIUrl":"10.1002/mrc.70089","url":null,"abstract":"<p>A fast field-cycling NMR (FFC NMR) experiment measures the longitudinal (spin–lattice) relaxation rate as a function of applied magnetic field to yield a relaxation rate dispersion curve, \u0000<span></span><math>\u0000 <msub>\u0000 <mi>R</mi>\u0000 <mn>1</mn>\u0000 </msub>\u0000 <mfenced>\u0000 <mi>f</mi>\u0000 </mfenced>\u0000 <mo>,</mo></math> where \u0000<span></span><math>\u0000 <mi>f</mi></math> is the proton Larmor frequency. The \u0000<span></span><math>\u0000 <msub>\u0000 <mi>R</mi>\u0000 <mn>1</mn>\u0000 </msub>\u0000 <mfenced>\u0000 <mi>f</mi>\u0000 </mfenced></math> dispersions, or NMRD profiles, are exquisitely sensitive to the relative dynamics of proton spins across timescales in the range 10⁻⁹–10⁻⁴ s. These timescales span the translational and rotational dynamics of proton-bearing fluids to dynamics at the surfaces of solids, soft material and macromolecules. FFC NMR is useful for studying fluid-filled rocks and soils, porous silica and cementitious material, polymer systems, foodstuffs, protein systems, biological tissues and biofluids. The NMRD profiles are rich with information, but interpretation is challenging. A parametrized relaxometry model must generate an NMRD profile \u0000<span></span><math>\u0000 <msub>\u0000 <mi>R</mi>\u0000 <mn>1</mn>\u0000 </msub>\u0000 <mfenced>\u0000 <mi>f</mi>\u0000 </mfenced></math> that can be fit to experimental data across three to four orders of magnitude of frequency. The 3-Tau model has emerged as a model capable of fitting NMRD profiles from a broad range of material types yielding physically meaningful parameters. This review article demonstrates power of the FFC NMR experiment interpreted using the 3-Tau model to reveal properties of hydrated hard and soft material.</p>","PeriodicalId":18142,"journal":{"name":"Magnetic Resonance in Chemistry","volume":"64 5","pages":"506-520"},"PeriodicalIF":1.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13042211/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147365604","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Editorial: Magnetic Resonance Research in India","authors":"Kavita Dorai,&nbsp;N. Suryaprakash","doi":"10.1002/mrc.70092","DOIUrl":"10.1002/mrc.70092","url":null,"abstract":"&lt;p&gt;Magnetic resonance continues to be a vibrant and evolving field, driven by sustained advances in instrumentation, pulse sequence design, data acquisition strategies, and data analysis. The availability of high-field spectrometers, fast magic-angle spinning probes, improved magnet technology, and sophisticated multidimensional and multinuclear experiments has expanded the scope of magnetic resonance across wide areas of science, especially in chemistry, biology, physics, medicine, and materials science. Today, magnetic resonance enables the investigation of molecular structure, dynamics, interactions, and function across time scales ranging from picoseconds to seconds, while continuing to open new directions in imaging, metabolomics, quantum simulation, and materials characterization.&lt;/p&gt;&lt;p&gt;India has a long and distinguished history in magnetic resonance research that began soon after the discovery of nuclear magnetic resonance itself. Early pioneering contributions by G. Suryan at the Indian Institute of Science, Bangalore, addressed fundamental challenges such as radiation damping and long relaxation times, including the innovative use of flowing liquids to replace saturated spins. S. S. Dharmatti, a student of Felix Bloch, made one of the earliest demonstrations of chemical shift resolution by identifying three distinct resonances in the proton spectrum of ethanol. Foundational efforts by P. Venkateshwaralu at Aligarh Muslim University, and by A. K. Saha and T. P. Das at the Saha Institute of Nuclear Physics, culminated in the publication of one of the earliest textbooks on nuclear induction.&lt;/p&gt;&lt;p&gt;A landmark moment in the global development of magnetic resonance occurred with the demonstration of two-dimensional NOESY on bovine pancreatic trypsin inhibitor by Anil Kumar, Richard Ernst, and Kurt Wüthrich, which revolutionized biomolecular structure determination by NMR. Anil Kumar's earlier work on NMR zeugmatography laid the conceptual foundation for modern magnetic resonance imaging. Alongside these contributions, C. L. Khetrapal played a transformative role in establishing high-field NMR infrastructure in India and advancing applications ranging from oriented systems to biomedical NMR and metabolomics. Their collective efforts catalyzed the growth of magnetic resonance research nationwide.&lt;/p&gt;&lt;p&gt;Over the decades, this strong foundation has evolved into a broad and diverse research ecosystem. Today, India hosts several hundred NMR spectrometers across academic and national laboratories, with nearly seventy independent research groups pursuing problems spanning biomolecular structure and dynamics, solid-state NMR, EPR spectroscopy, MRI, small-molecule chemistry, methodological development, quantum information processing using NMR platforms, and NMR-based metabolomics. This breadth reflects both the maturity of the field and its continued capacity for innovation.&lt;/p&gt;&lt;p&gt;This special collection on &lt;i&gt;Magnetic Resonance Research in India&lt;/i&gt; br","PeriodicalId":18142,"journal":{"name":"Magnetic Resonance in Chemistry","volume":"64 5","pages":"481-482"},"PeriodicalIF":1.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/epdf/10.1002/mrc.70092","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147317576","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":18142,"journal":{"name":"Magnetic Resonance in Chemistry","volume":"64 5","pages":"453-455"},"PeriodicalIF":1.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148062090","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Advances in EPR Approaches for Studying Structural Properties of Membrane Proteins","authors":"Indra D. Sahu,&nbsp;Gary A. Lorigan","doi":"10.1002/mrc.70085","DOIUrl":"10.1002/mrc.70085","url":null,"abstract":"<div>\u0000 \u0000 <p>Electron paramagnetic resonance (EPR) in connection with site-directed spin labeling is a structural biology tool that can be employed to obtain structural and conformational properties of various biological systems. Recent advances in methodological and technical improvements have made EPR spectroscopy a rapidly growing tool for gleaning important structural and conformational dynamics of membrane proteins. In this review, we discuss advancements in the popular site-directed spin labeling EPR approaches in brief and their applications to study the structure and conformations of biologically important membrane proteins. Recent examples of electron spin echo envelope modulation (ESEEM), double electron–electron resonance (DEER), and In-cell EPR studies for addressing structural and conformational-related questions of membrane proteins will be highlighted.</p>\u0000 </div>","PeriodicalId":18142,"journal":{"name":"Magnetic Resonance in Chemistry","volume":"64 5","pages":"456-476"},"PeriodicalIF":1.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146150136","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"New Alkaloid From the Marine-Derived Fungus Aspergillus sp. MF01","authors":"Xiu-Rong Zhou,&nbsp;Yan-Wen Wu,&nbsp;Jun-Yi Wu,&nbsp;Si-Jing Liu,&nbsp;Dan Zhang,&nbsp;Xiu-Juan Fu,&nbsp;Si-Wei Chen,&nbsp;Li Xu,&nbsp;Hui Lei","doi":"10.1002/mrc.70088","DOIUrl":"10.1002/mrc.70088","url":null,"abstract":"<div>\u0000 \u0000 <p>Two compounds, including one new alkaloid, namely, aspergilloid A (<b>1</b>), together with one known compound (<b>2</b>), were isolated from the sponge-derived fungus <i>Aspergillus</i> sp. MF01. The structure of one undescribed compound was elucidated by NMR, HRESIMS, and electronic circular dichroism (ECD) diffraction spectroscopy. All the isolated compounds were evaluated for their antimicrobial activities. Compound <b>1</b> showed weak antibacterial activity against Gram-positive bacteria <i>Staphylococcus aureus</i> and <i>Staphylococcus epidermidis</i> at 1 mg/mL.</p>\u0000 </div>","PeriodicalId":18142,"journal":{"name":"Magnetic Resonance in Chemistry","volume":"64 5","pages":"477-480"},"PeriodicalIF":1.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146227385","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Hydrogen Bonding Network in Interlayer Spaces of a Partially Deuterated Layered α-Sn (IV) Phosphate: A Solid-State MAS NMR Study","authors":"Vladimir I. Bakhmutov,&nbsp;Hong-Cai Zhou","doi":"10.1002/mrc.70094","DOIUrl":"10.1002/mrc.70094","url":null,"abstract":"<p>Samples of a layered α-Sn (IV) phosphate were partially deuterated by soaking with D₂O to yield a mixture of two isotopomers Sn (HPO₄) (DPO₄).c-H₂O and Sn (DPO₄)₂.c-H₂O containing cavity water c-H₂O. They were characterized by the ¹H, ²H, ³¹P, and ¹¹⁹Sn MAS NMR experiments including relaxation time measurements. The formation of these isotopomers is proven by the kinetic proton–deuterium cross-polarization MAS NMR experiments giving the cross-polarization rate constant <i>T</i>_H-D of 3.2 ms. In agreement with their formulation the ²H MAS NMR spectra of Sn (HPO₄) (DPO₄).c-H₂O and Sn (DPO₄)₂.c-H₂O did not display the other signals besides the DPO₄ resonance. The DPO₄ groups observed in the temperature-independent ²H MAS NMR spectra show the DQCC value of 184 ± 6 kHz corresponding to hydrogen bonds formed with an O^<b>…</b> O distance estimated as ~2.7 Å. Because of reduced dipolar interactions in the deuterated samples, the ¹H MAS NMR spectra are well resolved providing signal assignments and the analysis. According to the solid-state NMR data collected for the partially deuterated samples of <b>SnP</b>, the cavity water accepts one hydrogen bond from the P-OH donor group and forms one hydrogen bond with the neighboring phosphate group, while the other water hydrogen is not involved in hydrogen bonding.</p>","PeriodicalId":18142,"journal":{"name":"Magnetic Resonance in Chemistry","volume":"64 5","pages":"521-527"},"PeriodicalIF":1.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13042208/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147365587","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":18142,"journal":{"name":"Magnetic Resonance in Chemistry","volume":"64 6","pages":"584-593"},"PeriodicalIF":1.4,"publicationDate":"2026-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148087236","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":18142,"journal":{"name":"Magnetic Resonance in Chemistry","volume":"64 6","pages":"555-567"},"PeriodicalIF":1.4,"publicationDate":"2026-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148078073","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":18142,"journal":{"name":"Magnetic Resonance in Chemistry","volume":"64 6","pages":"568-583"},"PeriodicalIF":1.4,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148079267","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":18142,"journal":{"name":"Magnetic Resonance in Chemistry","volume":"64 6","pages":"539-554"},"PeriodicalIF":1.4,"publicationDate":"2026-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148072695","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}