Journal of Magnetic Resonance Open最新文献

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Observation of Li+ jumps in solid inorganic electrolytes over a broad dynamical range: A case study of the lithium phosphidosilicates Li8SiP4 and Li14SiP6 固体无机电解质中Li+跃迁的宽动态范围观察:以磷酸硅酸锂Li8SiP4和Li14SiP6为例
IF 2.624
Journal of Magnetic Resonance Open Pub Date : 2023-06-01 DOI: 10.1016/j.jmro.2023.100098
Björn Wankmiller , Michael Ryan Hansen
{"title":"Observation of Li+ jumps in solid inorganic electrolytes over a broad dynamical range: A case study of the lithium phosphidosilicates Li8SiP4 and Li14SiP6","authors":"Björn Wankmiller ,&nbsp;Michael Ryan Hansen","doi":"10.1016/j.jmro.2023.100098","DOIUrl":"https://doi.org/10.1016/j.jmro.2023.100098","url":null,"abstract":"<div><p><sup>7</sup>Li NMR spectroscopy is known to be very sensitive to translational motion in solids and therefore highly suited for investigating temperature-dependent Li<sup>+</sup> dynamics. A number of different NMR methods are available for choosing the dynamical range of the observed Li<sup>+</sup> jump frequencies present in inorganic solid-state electrolytes. This includes <sup>7</sup>Li spin-alignment echo NMR spectroscopy, static <sup>7</sup>Li lineshape analysis, and <sup>7</sup>Li spin-lattice relaxometry that can be used to detect Li<sup>+</sup> jumps in the Hz, kHz, and MHz range, respectively. We introduce and discuss these NMR techniques with respect to their theoretical description and practical application to investigate the Li<sup>+</sup> dynamics at different time scales for the two solid-state electrolytes Li<sub>8</sub>SiP<sub>4</sub> and Li<sub>14</sub>SiP<sub>6</sub>. The data evaluation for all methods is discussed in detail, focusing on the determination of Li<sup>+</sup> jump frequencies and activation energies for the investigated self-diffusion processes in a given structure.</p></div>","PeriodicalId":365,"journal":{"name":"Journal of Magnetic Resonance Open","volume":"14 ","pages":"Article 100098"},"PeriodicalIF":2.624,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"1826377","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: 2
Nuclear pair electron spin echo envelope modulation 核对电子自旋回波包络调制
IF 2.624
Journal of Magnetic Resonance Open Pub Date : 2023-06-01 DOI: 10.1016/j.jmro.2023.100094
G. Jeschke
{"title":"Nuclear pair electron spin echo envelope modulation","authors":"G. Jeschke","doi":"10.1016/j.jmro.2023.100094","DOIUrl":"https://doi.org/10.1016/j.jmro.2023.100094","url":null,"abstract":"<div><p>The interaction of electron spins with homonuclear spin pairs in their vicinity is one of the dominating mechanisms of electron spin echo decay at low temperature and low concentration. Here, we study this mechanism using established concepts of electron spin echo envelope modulation (ESEEM). We obtain analytical expressions for the Hahn echo, the refocused echo, the stimulated echo, and Carr–Purcell pulse trains with small numbers of <span><math><mi>π</mi></math></span> pulses. Hahn echo decay is well approximated by the product of nuclear pair ESEEM functions. The same approximation can explain dependence of stimulated echo decay on the first interpulse delay and provides reasonable time scale estimates for decay of Carr–Purcell echos after an odd number of <span><math><mi>π</mi></math></span> pulses. Carr–Purcell echoes after an even number of <span><math><mi>π</mi></math></span> pulses are rather sensitive to correlations within larger nuclear spin clusters. Approximations improve for both odd and even numbers of <span><math><mi>π</mi></math></span> pulses by factorising the nuclear spin bath into disjoint clusters, provided that modulation due to pairs of spins belonging to different clusters is considered in addition to cluster modulation. The analytical ESEEM expressions for the Hahn echo and the Carr–Purcell echo after two <span><math><mi>π</mi></math></span> pulses have the same mathematical form as the filter functions of these sequences of spin noise spectroscopy. This coincidence provides a computationally very efficient way of predicting Hahn echo decay induced by homonuclear spin pairs. The analytical pair product approximation predicts the previously observed (Bahrenberg et al., 2021) increase of the refocused echo amplitude when one refocusing time is incremented and other one is fixed but longer. In contrast, the spin-noise concept fails to predict this effect.</p></div>","PeriodicalId":365,"journal":{"name":"Journal of Magnetic Resonance Open","volume":"14 ","pages":"Article 100094"},"PeriodicalIF":2.624,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"3135446","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: 3
Combined experimental and computational 1H NMR study of water adsorption onto graphenic materials 石墨材料对水吸附的实验与计算相结合的1H NMR研究
IF 2.624
Journal of Magnetic Resonance Open Pub Date : 2023-06-01 DOI: 10.1016/j.jmro.2022.100091
Alan R. Ambrozio , Thierry R. Lopes , Daniel F. Cipriano , Fábio A.L. de Souza , Wanderlã L. Scopel , Jair C.C. Freitas
{"title":"Combined experimental and computational 1H NMR study of water adsorption onto graphenic materials","authors":"Alan R. Ambrozio ,&nbsp;Thierry R. Lopes ,&nbsp;Daniel F. Cipriano ,&nbsp;Fábio A.L. de Souza ,&nbsp;Wanderlã L. Scopel ,&nbsp;Jair C.C. Freitas","doi":"10.1016/j.jmro.2022.100091","DOIUrl":"https://doi.org/10.1016/j.jmro.2022.100091","url":null,"abstract":"<div><p>The effects caused by the interaction with graphene-like layers on the <span><math><msup><mrow></mrow><mrow><mn>1</mn></mrow></msup></math></span>H NMR spectra of water molecules adsorbed onto porous carbon materials were investigated by a combination of shielding calculations using density functional theory (DFT) and <span><math><msup><mrow></mrow><mrow><mn>1</mn></mrow></msup></math></span>H NMR experiments. Experimental <span><math><msup><mrow></mrow><mrow><mn>1</mn></mrow></msup></math></span>H NMR spectra were recorded for different water-containing carbon materials (activated carbons and milled graphite samples); the <span><math><msup><mrow></mrow><mrow><mn>1</mn></mrow></msup></math></span>H NMR signals due to adsorbed water in these materials showed a strong shielding effect caused by the electron currents present in the graphene-like layers. This effect was enhanced for activated carbons prepared at high heat treatment temperatures and for milled graphite samples with short milling times, evidencing that the structural organization of the graphene-like layers was the key feature defining the magnitude of the shielding on the <span><math><msup><mrow></mrow><mrow><mn>1</mn></mrow></msup></math></span>H nuclei in the water molecules adsorbed by the analyzed materials. The DFT calculations of the shielding sensed by these <span><math><msup><mrow></mrow><mrow><mn>1</mn></mrow></msup></math></span>H nuclei showed an increased interaction with the graphitic layers as the distance between these layers (representing the pore size) was reduced. A continuous decrease of the <span><math><msup><mrow></mrow><mrow><mn>1</mn></mrow></msup></math></span>H NMR chemical shift was then predicted for pores of smaller sizes, in good agreement with the experimental findings. These calculations also showed a large dispersion of chemical shifts for the several <span><math><msup><mrow></mrow><mrow><mn>1</mn></mrow></msup></math></span>H nuclei in the water clusters, attributed to intermolecular interactions and to shielding variations within the pores. This dispersion, combined with the effects due to the locally anisotropic diamagnetic susceptibility of graphite-like crystallites, are the main contributions to the broadening of the <span><math><msup><mrow></mrow><mrow><mn>1</mn></mrow></msup></math></span>H NMR signals associated with water adsorbed onto porous carbon materials.</p></div>","PeriodicalId":365,"journal":{"name":"Journal of Magnetic Resonance Open","volume":"14 ","pages":"Article 100091"},"PeriodicalIF":2.624,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"3451240","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: 1
Utility of methyl side chain probes for solution NMR studies of large proteins 甲基侧链探针在大蛋白质溶液核磁共振研究中的应用
IF 2.624
Journal of Magnetic Resonance Open Pub Date : 2023-06-01 DOI: 10.1016/j.jmro.2022.100087
Andrew C. McShan
{"title":"Utility of methyl side chain probes for solution NMR studies of large proteins","authors":"Andrew C. McShan","doi":"10.1016/j.jmro.2022.100087","DOIUrl":"https://doi.org/10.1016/j.jmro.2022.100087","url":null,"abstract":"<div><p>Selective isotopic labeling of methyl side chain groups in proteins and other biomolecules, combined with advances in perdeuteration, new pulse sequences, and high field spectrometers with cryogenic probes, has revolutionized the field of solution nuclear magnetic resonance (NMR) spectroscopy by enabling characterization of macromolecular systems with molecular weights above 1 MDa in their native aqueous environment. This tutorial provides a basic overview for how modern NMR spectroscopists can utilize methyl side chain probes to study their system of interest. The advantages and limitations of methyl side chain probes are discussed. In addition, the preparation of selectively <sup>13</sup>C-methyl labeled recombinant protein samples, strategies for manual and automated methyl NMR resonance assignment, and the application of methyl probes for characterization of dynamics and conformational exchange are discussed. A sneak preview for ways in which methyl probes are expected to continue to advance the field of biomolecular NMR towards new horizons in solution studies of large supramolecular complexes is also presented.</p></div>","PeriodicalId":365,"journal":{"name":"Journal of Magnetic Resonance Open","volume":"14 ","pages":"Article 100087"},"PeriodicalIF":2.624,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"1826372","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: 2
Evaluation of multi-channel phase reconstruction methods for quantitative susceptibility mapping on postmortem human brain 多通道相位重建方法在人死后大脑定量易感性图谱中的应用
IF 2.624
Journal of Magnetic Resonance Open Pub Date : 2023-06-01 DOI: 10.1016/j.jmro.2023.100097
Fábio Seiji Otsuka , Maria Concepcion Garcia Otaduy , José Henrique Monteiro Azevedo , Khallil Taverna Chaim , Carlos Ernesto Garrido Salmon
{"title":"Evaluation of multi-channel phase reconstruction methods for quantitative susceptibility mapping on postmortem human brain","authors":"Fábio Seiji Otsuka ,&nbsp;Maria Concepcion Garcia Otaduy ,&nbsp;José Henrique Monteiro Azevedo ,&nbsp;Khallil Taverna Chaim ,&nbsp;Carlos Ernesto Garrido Salmon","doi":"10.1016/j.jmro.2023.100097","DOIUrl":"https://doi.org/10.1016/j.jmro.2023.100097","url":null,"abstract":"<div><p>Quantitative Susceptibility Mapping (QSM) is an established Magnetic Resonance Imaging (MRI) technique with high potential in brain iron studies associated to several neurodegenerative diseases. Unlike other MRI techniques, QSM relies on phase images to estimate tissue's relative susceptibility, therefore requiring a reliable phase data. Phase images from a multi-channel acquisition should be reconstructed in a proper way. On this work it was compared the performance of combination of phase matching algorithms (MCPC3D-S and VRC) and phase combination methods based on a complex weighted sum of phases, considering the magnitude at different powers (<em>k</em> = 0 to 4) as the weighting factor. These reconstruction methods were applied in two datasets: a simulated brain dataset for a 4-coil array and data of 22 postmortem subjects acquired at a 7T scanner using a 32 channels coil. For the simulated dataset, differences between the ground truth and the Root Mean Squared Error (RMSE) were evaluated. For both simulated and postmortem data, the mean (MS) and standard deviation (SD) of susceptibility values of five deep gray matter regions were calculated. For the postmortem subjects, MS and SD were statistically compared across all subjects. A qualitative analysis indicated no differences between methods, except for the Adaptive approach on postmortem data, which showed intense artifacts. In the 20% noise level case, the simulated data showed increased noise in central regions. Quantitative analysis showed that both MS and SD were not statistically different when comparing <span><math><mrow><mi>k</mi><mo>=</mo><mn>1</mn></mrow></math></span> and <span><math><mrow><mi>k</mi><mo>=</mo><mn>2</mn></mrow></math></span> on postmortem brain images, however visual inspection showed some boundaries artifacts on <span><math><mrow><mi>k</mi><mo>=</mo><mn>2</mn></mrow></math></span>. Furthermore, the RMSE decreased (on regions near the coils) and increased (on central regions and on overall QSM) with increasing <span><math><mi>k</mi></math></span>. In conclusion, for reconstruction of phase images from multiple coils with no reference available, alternative methods are needed. In this study it was found that overall, the phase combination with <span><math><mrow><mi>k</mi><mo>=</mo><mn>1</mn></mrow></math></span> is preferred over other powers of <span><math><mi>k</mi></math></span>.</p></div>","PeriodicalId":365,"journal":{"name":"Journal of Magnetic Resonance Open","volume":"14 ","pages":"Article 100097"},"PeriodicalIF":2.624,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10062192/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"1826380","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
Conformational dynamics and kinetics of protein interactions by nuclear magnetic resonance 核磁共振研究蛋白质相互作用的构象动力学和动力学
IF 2.624
Journal of Magnetic Resonance Open Pub Date : 2023-06-01 DOI: 10.1016/j.jmro.2023.100093
Adolfo H. Moraes , Ana Paula Valente
{"title":"Conformational dynamics and kinetics of protein interactions by nuclear magnetic resonance","authors":"Adolfo H. Moraes ,&nbsp;Ana Paula Valente","doi":"10.1016/j.jmro.2023.100093","DOIUrl":"https://doi.org/10.1016/j.jmro.2023.100093","url":null,"abstract":"<div><p>Structural information of protein complexes is fundamental for the rational drug design and improvement of vaccines and biosensors. Also, protein misassembly can have severe biological consequences. Here we discuss the challenges of studying protein complexes and show examples of systems characterized using NMR.</p></div>","PeriodicalId":365,"journal":{"name":"Journal of Magnetic Resonance Open","volume":"14 ","pages":"Article 100093"},"PeriodicalIF":2.624,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"1826376","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
Conducting a three-pulse DEER experiment without dead time: A review 无死时间三脉冲DEER实验研究综述
IF 2.624
Journal of Magnetic Resonance Open Pub Date : 2023-06-01 DOI: 10.1016/j.jmro.2023.100100
Sergei A. Dzuba
{"title":"Conducting a three-pulse DEER experiment without dead time: A review","authors":"Sergei A. Dzuba","doi":"10.1016/j.jmro.2023.100100","DOIUrl":"https://doi.org/10.1016/j.jmro.2023.100100","url":null,"abstract":"<div><p>Double electron-electron resonance spectroscopy (DEER, also known as PELDOR) is used to study spin-spin dipolar interactions between spin labels, at the nanoscale range of distances. The DEER effect is obtained as a signal generated by echo-forming microwave (mw) pulses with an additional mw pump pulse applied at a different frequency. It is important to carry out measurements without artefacts induced by overlap of the pulses in the time scale. Such an experiment without the dead-time effect is achieved using the 4-pulse (4p) DEER method. The analysis of the literature performed here shows however that the 3-pulse (3p) DEER can also be free of the dead time problem, for which there are two possibilities. The first occurs using a specially designed bimodal resonator, for which the two frequencies are completely decoupled. The second possibility, which can be implemented for any commercial spectrometer, involves the signal correction based on an additional “blank” measurement with the pump pulse applied outside the EPR resonance. A detailed comparison of the 3p and 4p DEER data obtained previously by Milov et al. [Appl. Magn. Reson. 41 (2011) 59–67] shows that 3p and 4p approaches give similar results. The advantages of the 3p DEER techniques are discussed.</p></div>","PeriodicalId":365,"journal":{"name":"Journal of Magnetic Resonance Open","volume":"14 ","pages":"Article 100100"},"PeriodicalIF":2.624,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"1826378","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: 1
A broadband pulse EPR spectrometer for high-throughput measurements in the X-band 用于x波段高通量测量的宽带脉冲EPR光谱仪
IF 2.624
Journal of Magnetic Resonance Open Pub Date : 2023-06-01 DOI: 10.1016/j.jmro.2022.100092
Nikolay P. Isaev , Anatoly R. Melnikov , Konstantin A. Lomanovich , Mikhail V. Dugin , Mikhail Yu. Ivanov , Dmitriy N. Polovyanenko , Sergey L. Veber , Michael K. Bowman , Elena G. Bagryanskaya
{"title":"A broadband pulse EPR spectrometer for high-throughput measurements in the X-band","authors":"Nikolay P. Isaev ,&nbsp;Anatoly R. Melnikov ,&nbsp;Konstantin A. Lomanovich ,&nbsp;Mikhail V. Dugin ,&nbsp;Mikhail Yu. Ivanov ,&nbsp;Dmitriy N. Polovyanenko ,&nbsp;Sergey L. Veber ,&nbsp;Michael K. Bowman ,&nbsp;Elena G. Bagryanskaya","doi":"10.1016/j.jmro.2022.100092","DOIUrl":"https://doi.org/10.1016/j.jmro.2022.100092","url":null,"abstract":"<div><p>We present an X-band pulse EPR spectrometer with high throughput and excellent sensitivity in the 8.5-11.5GHz range. It is designed for high stability and low noise Fourier Transform measurements for applications in pulse dipolar spectroscopy, pulse hyperfine spectroscopy, and spin relaxation from cryogenic temperatures to room temperature. An arbitrary waveform generator is used to generate pulses of any frequency and shape for multiple resonance experiments or for uniform broadband excitation with bandwidths exceeding 350 MHz. We illustrate the capabilities and performance of the spectrometer by measurements on free radicals and biradicals in solids and liquids. Relaxation times of radicals in liquid solution are measured for fewer than 30,000,000 spins (less than 3 nanomoles per liter). Non-uniform acquisition provides higher throughput for mixtures of radicals with quite different relaxation rates. Conventional DEER measurements on a rigid biradical have good modulation depth. Broadband SIFTER with chirped adiabatic WURST pulses demonstrates versatility for the latest broadband pulse schemes. A broadband ESEEM measurement correlates ESEEM and EPR frequencies which characterize the conformation of a nitroxide radical. The entire EPR spectrum with a width approaching 300 MHz was excited and detected throughout the measurement. The spectrometer supports the operator in tuning, setting up experiments and monitoring their progress so that even novice users consistently can obtain optimal results.</p></div>","PeriodicalId":365,"journal":{"name":"Journal of Magnetic Resonance Open","volume":"14 ","pages":"Article 100092"},"PeriodicalIF":2.624,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"3451239","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: 2
Inductively coupled, transmit-receive coils for proton MRI and X-nucleus MRI/MRS in small animals 小动物质子MRI和x核MRI/MRS的电感耦合收发线圈
IF 2.624
Journal of Magnetic Resonance Open Pub Date : 2023-05-20 DOI: 10.1016/j.jmro.2023.100123
Atsushi M. Takahashi , Jitendra Sharma , David O. Guarin , Julie Miller , Hiroaki Wakimoto , Daniel P. Cahill , Yi-Fen Yen
{"title":"Inductively coupled, transmit-receive coils for proton MRI and X-nucleus MRI/MRS in small animals","authors":"Atsushi M. Takahashi ,&nbsp;Jitendra Sharma ,&nbsp;David O. Guarin ,&nbsp;Julie Miller ,&nbsp;Hiroaki Wakimoto ,&nbsp;Daniel P. Cahill ,&nbsp;Yi-Fen Yen","doi":"10.1016/j.jmro.2023.100123","DOIUrl":"https://doi.org/10.1016/j.jmro.2023.100123","url":null,"abstract":"<div><p>We report several inductively coupled RF coil designs that are very easy to construct, produce high signal-to-noise ratio (SNR) and high spatial resolution while accommodating life support, anesthesia and monitoring in small animals. Inductively coupled surface coils were designed for hyperpolarized <sup>13</sup> C MR spectroscopic imaging (MRSI) of mouse brain, with emphases on the simplicity of the circuit design, ease of use, whole-brain coverage, and high SNR. The simplest form was a resonant loop designed to crown the mouse head for a snug fit to achieve full coverage of the brain with high sensitivity when inductively coupled to a broadband pick-up coil. Here, we demonstrated the coil's performance in hyperpolarized <sup>13</sup> C MRSI of a normal mouse and a glioblastoma mouse model at 4.7 T. High SNR exceeding 70:1 was obtained in the brain with good spatial resolution (1.53 mm x 1.53 mm). Similar inductively coupled loop for other X-nuclei can be made very easily in a few minutes and achieve high performance, as demonstrated in <sup>31</sup> P spectroscopy. Similar design concept was expanded to splitable, inductively coupled volume coils for high-resolution proton MRI of marmoset at 3T and 9.4T, to easily accommodate head restraint, vital-sign monitoring, and anesthesia delivery.</p></div>","PeriodicalId":365,"journal":{"name":"Journal of Magnetic Resonance Open","volume":"16 ","pages":"Article 100123"},"PeriodicalIF":2.624,"publicationDate":"2023-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"3135445","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
Optimal control derived sensitivity-enhanced CA-CO mixing sequences for MAS solid-state NMR – Applications in sequential protein backbone assignments 最优控制衍生的灵敏度增强CA-CO混合序列用于MAS固态核磁共振-在序列蛋白质骨架分配中的应用
IF 2.624
Journal of Magnetic Resonance Open Pub Date : 2023-05-06 DOI: 10.1016/j.jmro.2023.100122
Jan Blahut , Matthias J. Brandl , Riddhiman Sarkar , Bernd Reif , Zdeněk Tošner
{"title":"Optimal control derived sensitivity-enhanced CA-CO mixing sequences for MAS solid-state NMR – Applications in sequential protein backbone assignments","authors":"Jan Blahut ,&nbsp;Matthias J. Brandl ,&nbsp;Riddhiman Sarkar ,&nbsp;Bernd Reif ,&nbsp;Zdeněk Tošner","doi":"10.1016/j.jmro.2023.100122","DOIUrl":"https://doi.org/10.1016/j.jmro.2023.100122","url":null,"abstract":"<div><p>We have recently introduced optimal-control derived pulse sequences for sensitivity-enhanced heteronuclear correlation NMR experiments of solid proteins. Preservation of equivalent coherence transfer pathways using transverse-mixing pulses (TROP) in multidimensional pulse schemes allows to increase the sensitivity of the experiments by more than a factor of <span><math><msqrt><mn>2</mn></msqrt></math></span> per each indirect dimension. In this article, we present homonuclear CA-CO transverse-mixing elements (homoTROP) that are based on dipolar interactions and achieve similar gains as the heteronuclear TROP pulses described previously. Both transfer elements were subsequently implemented in 3D se-hCAcoNH and se-hCOcaNH, that together with the previously introduced 3D se-hCANH and se-hCONH experiments yield a complete set of sensitivity-enhanced protein backbone assignment experiments. In contrast to the J-coupling based methods that are used at fast (60 kHz) and ultrafast MAS (&gt;100 kHz), the homoTROP experiments employ about 10-times shorter mixing times making use of the larger magnitude of the dipolar coupling in comparison to the J couplings. The experiments are demonstrated using a microcrystalline, perdeuterated sample of the chicken alpha-spectrin SH3 domain in which all exchangeable sites are fully back-substituted with protons. We evaluated the gains in efficiency in all experiments site-specifically observing that the se-hCAcoNH and se-hCOcaNH experiments yield an increase in sensitivity by a factor of 1.36±0.09 and at least a factor of 1.8 with respect to the conventional hcoCAcoNH and hCOcaNH J-based experiments.</p></div>","PeriodicalId":365,"journal":{"name":"Journal of Magnetic Resonance Open","volume":"16 ","pages":"Article 100122"},"PeriodicalIF":2.624,"publicationDate":"2023-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"3451237","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: 1
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