Journal of Magnetic Resonance Open最新文献

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Magnetic resonance coil prototyping and implementation for multi-nuclear small animal imaging 用于多核小动物成像的磁共振线圈原型设计与实现
IF 2.624
Journal of Magnetic Resonance Open Pub Date : 2025-07-09 DOI: 10.1016/j.jmro.2025.100206
Alexander I. Zavriyev , Benjamin J. Yoon , John Choi , Bukola Y. Adebesin , Paul S. Jacobs , Gabor Mizsei , Molly M. Sheehan , Stephen Kadlecek , Terence P.F. Gade
{"title":"Magnetic resonance coil prototyping and implementation for multi-nuclear small animal imaging","authors":"Alexander I. Zavriyev ,&nbsp;Benjamin J. Yoon ,&nbsp;John Choi ,&nbsp;Bukola Y. Adebesin ,&nbsp;Paul S. Jacobs ,&nbsp;Gabor Mizsei ,&nbsp;Molly M. Sheehan ,&nbsp;Stephen Kadlecek ,&nbsp;Terence P.F. Gade","doi":"10.1016/j.jmro.2025.100206","DOIUrl":"10.1016/j.jmro.2025.100206","url":null,"abstract":"<div><h3>Purpose</h3><div>Heteronuclear MR imaging allows investigation into unique disease states. These approaches often require radiofrequency coil designs that are customized for the imaging probe and target. This study addresses the challenges of rapidly prototyping heteronuclear MR coils for small animal imaging applications. We propose the use of 3D-printing molds for inductor shaping connected to a printed circuit board (PCB) via a flexible coaxial cabling to enhance coil reproducibility and utility.</div></div><div><h3>Methods</h3><div>A rapid prototyping pipeline was developed for constructing affordable and sensitive coils. The reproducibility of 3D-printed mold inductors was compared to hand-turned and PCB inductors. A theoretical treatment of the effect of PCB/inductor coupling on tuning/matching conditions was verified under a variety of practical conditions, yielding a simplified approach which allows component selection and assembly with minimal empirical development.</div></div><div><h3>Results</h3><div>The 3D-printed mold inductors demonstrated higher reproducibility than hand-turned inductors, and PCB RF coils demonstrated the highest reproducibility. The average resonance return loss (S<sub>11</sub>) across all 3D-printed mold inductors was -40.2 dB ± 4.8 dB, with an average circuit Q factor of 58 ± 12. The presented model predicts resonance characteristics within 1 % of measured values over a range of frequencies and geometries.</div></div><div><h3>Conclusion</h3><div>The developed prototyping pipeline represents a rapid and effective approach for designing highly reproducible coils with a desired resonance frequency and size that can easily be adapted for a variety of experimental set-ups. All design resources – including an interactive coil-parameter calculator, 3D-models of inductor molds, and PCB files – are available for use at <span><span>https://medcap.ai/mr-coil-calculator</span><svg><path></path></svg></span>.</div></div>","PeriodicalId":365,"journal":{"name":"Journal of Magnetic Resonance Open","volume":"24 ","pages":"Article 100206"},"PeriodicalIF":2.624,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144613919","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}
引用次数: 0
Continuous-flow electron spin resonance microfluidics device with sub-nanoliter sample volume 亚纳升样品体积的连续流电子自旋共振微流体装置
IF 2.624
Journal of Magnetic Resonance Open Pub Date : 2025-07-09 DOI: 10.1016/j.jmro.2025.100207
Oleg Zgadzai , Nir Almog , Yefim Varshavsky , Moamen Jbara , Benoit Driesschaert , Aharon Blank
{"title":"Continuous-flow electron spin resonance microfluidics device with sub-nanoliter sample volume","authors":"Oleg Zgadzai ,&nbsp;Nir Almog ,&nbsp;Yefim Varshavsky ,&nbsp;Moamen Jbara ,&nbsp;Benoit Driesschaert ,&nbsp;Aharon Blank","doi":"10.1016/j.jmro.2025.100207","DOIUrl":"10.1016/j.jmro.2025.100207","url":null,"abstract":"<div><div>This paper presents a novel continuous-flow electron spin resonance (ESR) microfluidic device designed for both continuous-wave (CW) and pulsed ESR measurements on sub-nanoliter liquid samples. The system integrates a planar surface microresonator (ParPar type) operating at ∼9.4 GHz with a precision-fabricated quartz microfluidic chip, enabling spatial confinement of the sample within the resonator’s microwave magnetic field hotspot while minimizing dielectric losses. The effective sample volume is ∼0.06 nL, and the device supports standard microfluidic connectors, facilitating both continuous and stopped-flow experiments. Using a 1 mM aqueous solution of deuterated Finland trityl (dFT) radical, CW ESR measurements yielded a peak signal-to-noise ratio (SNR) of ∼83 for a 100-point spectrum acquired over 80 s, with a resonator quality factor of Q ∼15–20. This corresponds to a spin sensitivity of ∼1.04 × 10<sup>9</sup> spins/√Hz/G. Pulsed ESR measurements, performed with 0.1 W microwave power and 10 ns π pulses, achieved an SNR of ∼47 with 1 s of averaging, corresponding to a spin sensitivity of ∼7.8 × 10<sup>8</sup> spins/√Hz. A Rabi frequency of ∼50 MHz was measured, indicating a microwave conversion efficiency of ∼56 G/√W. Both the pulsed spin sensitivity and Rabi frequency are consistent with simulated values. This device represents a significant step toward ESR-based detection of individual, slowly flowing cells—analogous to flow cytometry but with magnetic resonance contrast. With future enhancements such as higher operating frequencies, cryogenic integration, or optimized resonator geometries, the system is expected to enable practical ESR measurements at the single-cell level.</div></div>","PeriodicalId":365,"journal":{"name":"Journal of Magnetic Resonance Open","volume":"24 ","pages":"Article 100207"},"PeriodicalIF":2.624,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144604406","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}
引用次数: 0
Hyperpolarized [1-¹³C] pyruvate MRSI reveals a diet-dependent metabolic shift in ZSF1 rats 超极化[1-¹³C]丙酮酸磁共振成像揭示了ZSF1大鼠饮食依赖性代谢转变
IF 2.624
Journal of Magnetic Resonance Open Pub Date : 2025-06-30 DOI: 10.1016/j.jmro.2025.100205
Karen Dos Santos , Salva R. Yurista , Sophia M. Mirrione , David O. Guarin Bedoya , Samuel R. Calos , Ivan Luptak , Atsushi M. Takahashi , Wai Hong Wilson Tang , Yoshiko Iwamoto , Christopher T. Nguyen , Yi-Fen Yen
{"title":"Hyperpolarized [1-¹³C] pyruvate MRSI reveals a diet-dependent metabolic shift in ZSF1 rats","authors":"Karen Dos Santos ,&nbsp;Salva R. Yurista ,&nbsp;Sophia M. Mirrione ,&nbsp;David O. Guarin Bedoya ,&nbsp;Samuel R. Calos ,&nbsp;Ivan Luptak ,&nbsp;Atsushi M. Takahashi ,&nbsp;Wai Hong Wilson Tang ,&nbsp;Yoshiko Iwamoto ,&nbsp;Christopher T. Nguyen ,&nbsp;Yi-Fen Yen","doi":"10.1016/j.jmro.2025.100205","DOIUrl":"10.1016/j.jmro.2025.100205","url":null,"abstract":"<div><div>We evaluated altered cardiac metabolism in Zucker Spontaneously Hypertensive Fatty (ZSF1) rats fed an isocaloric high-fat diet versus normal chow using hyperpolarized (HP) [1-<sup>13</sup>C]pyruvate MR spectroscopic imaging (MRSI). This technique exploits remarkable signal enhancement to track the metabolic fate of injected HP [1-<sup>13</sup>C]pyruvate <em>in vivo</em>, allowing a simultaneous assessment of multiple metabolic pathways. The conversion of [1-<sup>13</sup>C]pyruvate to [1-<sup>13</sup>C]lactate (Lac) reflects anaerobic glycolysis activity, while the detection of <sup>13</sup>C-bicarbonate (Bic) indicates glucose oxidation<em>.</em> Our findings show that ZSF1 rats fed a high-fat diet exhibit a greater reliance on anaerobic glycolysis relative to glucose oxidation, and this metabolic shift can be detected <em>in vivo</em> in real time. This study demonstrates the feasibility of HP [1-<sup>13</sup>C]pyruvate MRSI for assessing diet-dependent metabolic shifts in the myocardium of ZSF1 obese rats, a widely used preclinical model for heart failure with preserved ejection fraction (HFpEF).</div></div>","PeriodicalId":365,"journal":{"name":"Journal of Magnetic Resonance Open","volume":"24 ","pages":"Article 100205"},"PeriodicalIF":2.624,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144556976","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}
引用次数: 0
Hyperpolarization: From toy to tool, and back to toy 超极化:从玩具到工具,再回到玩具
IF 2.624
Journal of Magnetic Resonance Open Pub Date : 2025-06-01 DOI: 10.1016/j.jmro.2025.100202
Guinevere Mathies , Sami Jannin , Lucio Frydman
{"title":"Hyperpolarization: From toy to tool, and back to toy","authors":"Guinevere Mathies ,&nbsp;Sami Jannin ,&nbsp;Lucio Frydman","doi":"10.1016/j.jmro.2025.100202","DOIUrl":"10.1016/j.jmro.2025.100202","url":null,"abstract":"","PeriodicalId":365,"journal":{"name":"Journal of Magnetic Resonance Open","volume":"23 ","pages":"Article 100202"},"PeriodicalIF":2.624,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144222964","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}
引用次数: 0
Avoiding broadband radiation damping effects in NOESY spectra 避免噪声谱中的宽带辐射阻尼效应
IF 2.624
Journal of Magnetic Resonance Open Pub Date : 2025-05-14 DOI: 10.1016/j.jmro.2025.100203
Kelsey Anne Marr, Alexej Jerschow
{"title":"Avoiding broadband radiation damping effects in NOESY spectra","authors":"Kelsey Anne Marr,&nbsp;Alexej Jerschow","doi":"10.1016/j.jmro.2025.100203","DOIUrl":"10.1016/j.jmro.2025.100203","url":null,"abstract":"<div><div>Radiation damping is a well-known phenomenon in the context of NMR spectroscopy. Several strategies exist for minimizing the effects of radiation damping, which have mostly been focused on limiting the effects of one resonance (frequently the water resonance). When samples with many resonances are examined at high concentration, such approaches often cannot be used. One category of systems where the broadband nature of radiation damping leads to complications are deep eutectic solvents (DESs). DESs are considered innovative solvent systems that have several advantages such as tunability and environmental friendliness, with important applications ranging from catalysis to drug delivery. It is of interest to examine the intermolecular effects via NMR spectroscopy in these systems. Here we show that broadband radiation effects are very strong in these systems and identify simple strategies specifically for 2D NOESY NMR spectroscopy to regain the ability to quantify intermolecular interactions in these systems.</div></div>","PeriodicalId":365,"journal":{"name":"Journal of Magnetic Resonance Open","volume":"23 ","pages":"Article 100203"},"PeriodicalIF":2.624,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144089106","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}
引用次数: 0
Understanding the correlation between ion transport and side chains in polymer electrolyte 了解聚合物电解质中离子传输与侧链之间的关系
IF 2.624
Journal of Magnetic Resonance Open Pub Date : 2025-04-21 DOI: 10.1016/j.jmro.2025.100200
Ligang Xu , Yuqi Li , Yongchao shi , Yachao Yan , Wengui Yu , Huajie Luo , Jipeng Fu , Haiyan Zheng , Mingxue Tang
{"title":"Understanding the correlation between ion transport and side chains in polymer electrolyte","authors":"Ligang Xu ,&nbsp;Yuqi Li ,&nbsp;Yongchao shi ,&nbsp;Yachao Yan ,&nbsp;Wengui Yu ,&nbsp;Huajie Luo ,&nbsp;Jipeng Fu ,&nbsp;Haiyan Zheng ,&nbsp;Mingxue Tang","doi":"10.1016/j.jmro.2025.100200","DOIUrl":"10.1016/j.jmro.2025.100200","url":null,"abstract":"<div><div>The rise of the new energy market has driven the rapid development of solid-state batteries (SSBs). Polymer electrolytes, due to their excellent interfacial compatibility and high safety, have brought new opportunities to SSBs. We report a polymer side-chain design strategy that combines ionic liquids and low-molecular-weight ether-based molecules into a copolymer electrolyte (CPE). Using nuclear magnetic resonance (NMR) techniques, we investigated the spatial distribution of lithium ions (Li<sup>+</sup>) and the correlations between anions of different conformations in the CPE. This study found that the introduced ionic liquids and high-freedom ether groups enable rapid ion migration, resulting in an ion conductivity of 1.44 × 10<sup>–4</sup> S cm<sup>-1</sup> at 25 °C. The dual lithium symmetric battery based on CPE can cycle more than1000 h at a current density of 0.3 mA cm<sup>-2</sup>, while the LFP|CPE|Li full battery presents high retention after 120 cycles even at ultra-high loading (12.9 mg cm<sup>-2</sup>) and a high current density of 1 C.</div></div>","PeriodicalId":365,"journal":{"name":"Journal of Magnetic Resonance Open","volume":"23 ","pages":"Article 100200"},"PeriodicalIF":2.624,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143860260","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}
引用次数: 0
Applications of high-field nuclear magnetic resonance (NMR) in chemical research 高场核磁共振在化学研究中的应用
IF 2.624
Journal of Magnetic Resonance Open Pub Date : 2025-04-16 DOI: 10.1016/j.jmro.2025.100199
Qian Li , Junfeng Xiang
{"title":"Applications of high-field nuclear magnetic resonance (NMR) in chemical research","authors":"Qian Li ,&nbsp;Junfeng Xiang","doi":"10.1016/j.jmro.2025.100199","DOIUrl":"10.1016/j.jmro.2025.100199","url":null,"abstract":"<div><div>With the rapid advancement of NMR magnet and probe technology, high-field NMR spectrometers equipped with high-resolution and high-sensitivity probes will find broader applications in the field of chemical research. The spectral resolution of NMR increases proportionally with the magnetic field strength (B0). Higher magnetic fields of NMR increase the separation between different resonant frequencies of nuclei, leading to better spectral resolution. Besides spectral resolution, the signal-to-noise ratio (SNR) is proportional to the magnetic field strength raised to the power of three-halves. Advancements in probe technology over the past few decades have led to the widespread adoption of probeheads equipped with coils and preamplifiers that are cryogenically cooled by cold helium or nitrogen. This significantly reduces system noise, thereby improving SNR in detection. A series of typical applications of high-field nuclear magnetic resonance (NMR) in chemical research has been introduced. By utilizing the broadband direct observe cryoprobe (DOCP), a wide range of nuclei can be detected with high sensitivity, enabling the efficient characterization of numerous chemical systems at natural abundance, without the need for time-consuming and costly isotope labeling processes. High-field, high-sensitivity, and high-resolution NMR techniques provide promising tools that are likely to play an increasingly important role in future chemical investigations.</div></div>","PeriodicalId":365,"journal":{"name":"Journal of Magnetic Resonance Open","volume":"23 ","pages":"Article 100199"},"PeriodicalIF":2.624,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143851523","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}
引用次数: 0
Pushing the sensitivity boundaries of X-band EPR cryoprobe using a fast microwave switch 利用快速微波开关突破x波段EPR低温探针的灵敏度极限
IF 2.624
Journal of Magnetic Resonance Open Pub Date : 2025-04-03 DOI: 10.1016/j.jmro.2025.100196
Uršulė Tarvydytė , Vidmantas Kalendra , Gediminas Usevičius , James O’Sullivan , Adam Brookfield , Alice M. Bowen , Jūras Banys , John J.L. Morton , Mantas Šimėnas
{"title":"Pushing the sensitivity boundaries of X-band EPR cryoprobe using a fast microwave switch","authors":"Uršulė Tarvydytė ,&nbsp;Vidmantas Kalendra ,&nbsp;Gediminas Usevičius ,&nbsp;James O’Sullivan ,&nbsp;Adam Brookfield ,&nbsp;Alice M. Bowen ,&nbsp;Jūras Banys ,&nbsp;John J.L. Morton ,&nbsp;Mantas Šimėnas","doi":"10.1016/j.jmro.2025.100196","DOIUrl":"10.1016/j.jmro.2025.100196","url":null,"abstract":"<div><div>We present a new design of an X-band EPR cryoprobe based on a fast microwave switch and a cryogenic low-noise microwave amplifier that are placed close to the sample in the same cryostat. The probehead supports high-power (100 W) pulsed EPR experiments and is compatible with standard EPR resonators and samples. In contrast to the directional coupler design of the EPR cryoprobe reported previously, the fast microwave switch fully isolates the microwave amplifier from input thermal noise without microwave power suppression allowing us to approach the sensitivity limit of cryoprobes for pulsed EPR experiments. We benchmark the performance of our cryoprobe setup against a standard commercial EPR instrument revealing a significant sensitivity improvement, which reduces the measurement time by a factor of about <span><math><mrow><mn>250</mn><mo>×</mo></mrow></math></span> at 6 K sample temperature. We also show that the sensitivity of our new X-band cryoprobe design matches that of a standard Q-band setup for double electron–electron resonance experiments.</div></div>","PeriodicalId":365,"journal":{"name":"Journal of Magnetic Resonance Open","volume":"23 ","pages":"Article 100196"},"PeriodicalIF":2.624,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143768066","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}
引用次数: 0
Determination of the surface relaxivity of soft sediment using particle size and shape 用颗粒大小和形状测定软沉积物的表面弛豫度
IF 2.624
Journal of Magnetic Resonance Open Pub Date : 2025-04-02 DOI: 10.1016/j.jmro.2025.100198
Nick J. Hol , Ismail Myouri , Claire Chassagne , Leo Pel
{"title":"Determination of the surface relaxivity of soft sediment using particle size and shape","authors":"Nick J. Hol ,&nbsp;Ismail Myouri ,&nbsp;Claire Chassagne ,&nbsp;Leo Pel","doi":"10.1016/j.jmro.2025.100198","DOIUrl":"10.1016/j.jmro.2025.100198","url":null,"abstract":"<div><div>This study presents a method to determine surface relaxivity in soft sediments by combining one-dimensional Nuclear Magnetic Resonance (NMR) imaging with particle size and shape estimates. In order to determine the surface relaxivity up to now often methods like Mercury Intrusion Porosimetry or Brunauer–Emmett–Teller (BET) are used which where drying steps are involved which can alter material properties during analysis, particularly in highly deformable materials, making these techniques unreliable for soft soils. By combining NMR relaxometry and estimates of particle sizes and shapes of a soft soil, this new approach provides accurate, non-invasive surface relaxivity measurements. This method is demonstrated on kaolinite, glass beads, and natural soils, showing that this method supports detailed assessment of pore size distributions in soft sediments, benefiting geotechnical and environmental research where soil stability is critical.</div></div>","PeriodicalId":365,"journal":{"name":"Journal of Magnetic Resonance Open","volume":"23 ","pages":"Article 100198"},"PeriodicalIF":2.624,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143808253","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}
引用次数: 0
Probing cation dynamics and phase transition in hybrid organic-inorganic perovskites by 13C solid-state NMR spectroscopy at very high resolution 高分辨率13C固体核磁共振光谱探测有机-无机杂化钙钛矿的阳离子动力学和相变
IF 2.624
Journal of Magnetic Resonance Open Pub Date : 2025-03-28 DOI: 10.1016/j.jmro.2025.100197
Yue Dou , Qing Wang , Hengxing Ji , Haiming Liu
{"title":"Probing cation dynamics and phase transition in hybrid organic-inorganic perovskites by 13C solid-state NMR spectroscopy at very high resolution","authors":"Yue Dou ,&nbsp;Qing Wang ,&nbsp;Hengxing Ji ,&nbsp;Haiming Liu","doi":"10.1016/j.jmro.2025.100197","DOIUrl":"10.1016/j.jmro.2025.100197","url":null,"abstract":"<div><div>The spatial dynamics of cations have a significant impact on the photodynamic behavior of excited states in high-performance hybrid organic-inorganic perovskites. Multinuclear (<sup>1</sup>H, <sup>2</sup>H, and <sup>14</sup>N) solid-state NMR (SSNMR) spectroscopy has traditionally been utilized to study the motion of methylammonium (MA) cations in methylammonium lead (II) halides MAPbX<sub>3</sub> (X = I, Br, Cl). NMR methods based on spin-lattice relaxation or quadrupolar line shape analysis over a limited temperature range demonstrate rapid MA reorientation, but the cation dynamics in a wider temperature range covering phase transition of all major crystallographic phases is lacking. Due to its low sensitivity, <sup>13</sup>C NMR is rarely used to assess MA dynamics in these perovskites. Herein, we adopte variable-temperature (VT) <sup>13</sup>C MAS NMR at very high resolution and dipolar-coupled transverse relaxation analysis as a new tool for dynamical characterization without isotopic enrichment, and systematically investigated MA dynamics in MAPbX<sub>3</sub> across phase transitions. This new approach enables retrieval of activation energy of MA reorientation and assessment of motion regimes. We propose a generalized “Camel model” that describes the common trend of cation dynamics for MAPbX<sub>3</sub>, suggesting possible complicated reorientation modes. Furthermore, we discover the evolution of multiple MA sites in orthorhombic MAPbCl<sub>3</sub>, consistent with X-ray crystallography, demonstrating its unique advantage in resolving and characterizing multi-cation dynamics. The VT <sup>13</sup>C SSNMR effectively probes organic ion motions and phase transitions in hybrid perovskites, helpful for further elucidating the structure-property relationship in photovoltaic conversion mechanisms.</div></div>","PeriodicalId":365,"journal":{"name":"Journal of Magnetic Resonance Open","volume":"23 ","pages":"Article 100197"},"PeriodicalIF":2.624,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143738290","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}
引用次数: 0
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