Solid state nuclear magnetic resonance最新文献

筛选
英文 中文
Cooperative β-sheet coassembly controls intermolecular orientation of amphiphilic peptide-polydiacetylene conjugates β片协同组装控制着两亲肽-聚二乙烯共轭物的分子间取向
IF 1.8 3区 化学
Solid state nuclear magnetic resonance Pub Date : 2024-08-22 DOI: 10.1016/j.ssnmr.2024.101959
Tarunya Rao Sudarshan , Sujeung Lim , Jeffrey Li , Alicia S. Robang , Leel Mazal Liberty , Herdeline Ann M. Ardoña , Anant K. Paravastu
{"title":"Cooperative β-sheet coassembly controls intermolecular orientation of amphiphilic peptide-polydiacetylene conjugates","authors":"Tarunya Rao Sudarshan ,&nbsp;Sujeung Lim ,&nbsp;Jeffrey Li ,&nbsp;Alicia S. Robang ,&nbsp;Leel Mazal Liberty ,&nbsp;Herdeline Ann M. Ardoña ,&nbsp;Anant K. Paravastu","doi":"10.1016/j.ssnmr.2024.101959","DOIUrl":"10.1016/j.ssnmr.2024.101959","url":null,"abstract":"<div><p>In this work, we elucidated the structural organization of stimuli-responsive peptide-polydiacetylene (PDA) conjugates that can self-assemble as 1D nanostructures under neutral aqueous conditions. The amino acid sequences bear positively or negatively charged domains at the periphery of the peptide segments to promote solubility in water while also driving assembly of the individual and combined components into β-sheets. The photopolymerization of PDA, as well as the sensitivity of the resulting optical properties of the polymeric material to external stimuli, highly depends on the structural organization of the assembly of amphiphilic peptide-diacetylene units into 1D-nanostructures. Solid-state NMR measurements on <sup>13</sup>C-labeled and <sup>15</sup>N-labeled samples show that positively charged and negatively charged peptide amphiphiles are each capable of self-assembly, but self-assembly favors antiparallel β-sheet structure. When positively and negatively charged peptide amphiphiles interact in stoichiometric solutions, cooperative coassembly dominates over self-assembly, resulting in the desired parallel β-sheet structure with a concomitant increase in structural order. These results reveal that rational placement of oppositely charged residues can control β-strand organization in a peptide amphiphile coassembly, which would have implications on the adaptive properties of stimuli-responsive biomaterials such as the peptide-PDAs studied here.</p></div>","PeriodicalId":21937,"journal":{"name":"Solid state nuclear magnetic resonance","volume":"133 ","pages":"Article 101959"},"PeriodicalIF":1.8,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142096517","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}
引用次数: 0
Predicting 35-Cl electric field gradient tensors in crystalline solids using cluster and fragment-corrected planewave density functional theory 利用聚类和片段校正平面波密度泛函理论预测晶体固体中的 35-Cl 电场梯度张量
IF 1.8 3区 化学
Solid state nuclear magnetic resonance Pub Date : 2024-08-08 DOI: 10.1016/j.ssnmr.2024.101949
Daniel Capistran , James K. Harper , Joshua D. Hartman
{"title":"Predicting 35-Cl electric field gradient tensors in crystalline solids using cluster and fragment-corrected planewave density functional theory","authors":"Daniel Capistran ,&nbsp;James K. Harper ,&nbsp;Joshua D. Hartman","doi":"10.1016/j.ssnmr.2024.101949","DOIUrl":"10.1016/j.ssnmr.2024.101949","url":null,"abstract":"<div><p>Planewave-corrected methods have proven effective for accurately modeling nuclear magnetic resonance (NMR) parameters in crystalline systems. Recent work extended the application of planewave-corrected calculations beyond the second row, predicting EFG tensor parameters for <sup>35</sup>Cl using a simple molecular correction to projector augmented-wave (PAW) density functional theory (DFT). Here we extend this work using fragment and cluster-based calculations coupled with polarizable continuum (PCM) methods to improve further the accuracy of planewave-corrected <sup>35</sup>Cl EFG tensor calculations. Benchmark data from a test set comprised of 105 individual <sup>35</sup>Cl EFG tensor principal components for chlorine-containing molecular crystals and crystalline chloride salts shows fragment-corrected planewave calculations using the PBE0 hybrid density functional improve the accuracy of predicted EFG tensor components by 30 % relative to traditional planewave calculations. We compare the influence of different geometry optimization methods and density functionals on the accuracy of predicted <sup>35</sup>Cl EFG tensor parameters. Four cases of spectral assignment are presented to demonstrate the utility of improving the accuracy of predicted <sup>35</sup>Cl EFG tensor parameters.</p></div>","PeriodicalId":21937,"journal":{"name":"Solid state nuclear magnetic resonance","volume":"133 ","pages":"Article 101949"},"PeriodicalIF":1.8,"publicationDate":"2024-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142049260","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}
引用次数: 0
Phenolic syringyl end groups in 13C-enriched hardwoods detected and quantified by solid-state NMR 通过固态核磁共振检测和量化富含 13C 的硬木中的酚类丁炔基末端基团。
IF 1.8 3区 化学
Solid state nuclear magnetic resonance Pub Date : 2024-07-20 DOI: 10.1016/j.ssnmr.2024.101947
Zhaoxi Zheng, Klaus Schmidt-Rohr
{"title":"Phenolic syringyl end groups in 13C-enriched hardwoods detected and quantified by solid-state NMR","authors":"Zhaoxi Zheng,&nbsp;Klaus Schmidt-Rohr","doi":"10.1016/j.ssnmr.2024.101947","DOIUrl":"10.1016/j.ssnmr.2024.101947","url":null,"abstract":"<div><p>While syringyl units are the most abundant monolignols in hardwood lignin, their phenolic (i.e. hydroxyl) end group concentration has not been measured. In two uniformly <sup>13</sup>C-enriched young hardwoods, from beech and oak, the syringyl units were quantitatively investigated by advanced solid-state <sup>13</sup>C NMR. Small signals of OH-terminated syringyl units were resolved in spectrally edited two-dimensional <sup>13</sup>C–<sup>13</sup>C NMR spectra of the two hardwoods. Their distinct peak positions predicted based on literature data were validated via the abundant OH-terminated syringyl units in hydrolyzed <sup>13</sup>C-beechwood. In a two-dimensional <sup>13</sup>C–<sup>13</sup>C exchange spectrum with diagonal-ridge suppression, a well-resolved peak of phenolic syringyl units was observed at the characteristic C–H peak position of syringyl rings, without significant overlap from guaiacyl peaks. Accurate <sup>13</sup>C chemical shifts of regular and end-group syringyl units were obtained. Through spectrally edited 2D NMR after <sup>1</sup>H inversion recovery, phenols of condensed tannin complexed with arginine were carefully analyzed and shown to overlap minimally with signals from phenolic syringyl units. The local structure and resulting spin dynamics of ether (chain) and hydroxyl (end-group) syringyl units are nearly the same, enabling quantification by peak integration or deconvolution, which shows that phenolic syringyl end groups account for 2 ± 1 % of syringyl units in beechwood and 5 ± 2 % in oakwood. The observed low end-group concentration needs to be taken into account in realistic molecular models of hardwood lignin structure.</p></div>","PeriodicalId":21937,"journal":{"name":"Solid state nuclear magnetic resonance","volume":"133 ","pages":"Article 101947"},"PeriodicalIF":1.8,"publicationDate":"2024-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141789075","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}
引用次数: 0
A Numerical simulation method for analyzing 1H spin diffusion NMR for Multicomponent and multiphase polymer systems 分析多组分和多相聚合物系统 1H 自旋扩散 NMR 的数值模拟方法
IF 1.8 3区 化学
Solid state nuclear magnetic resonance Pub Date : 2024-06-26 DOI: 10.1016/j.ssnmr.2024.101946
Xuran Jin , Wei Chen
{"title":"A Numerical simulation method for analyzing 1H spin diffusion NMR for Multicomponent and multiphase polymer systems","authors":"Xuran Jin ,&nbsp;Wei Chen","doi":"10.1016/j.ssnmr.2024.101946","DOIUrl":"10.1016/j.ssnmr.2024.101946","url":null,"abstract":"<div><p>A numerical simulation method, namely, <em>SDNMR-WEBFIT</em>, is reported for simulating proton spin diffusion NMR based on the Levenberg-Marquardt algorithm and a pseudo-2D diffusion model. This method is used for the precise quantification of dynamics heterogeneity of the interphase within multiphase polymer systems. The numerical simulation method provides measurements of spin-lattice relaxation time (<em>T</em><sub>1</sub>), proton density (<em>ρ</em><sub>H</sub>), lamellar thickness (<em>d</em>), and spin diffusion coefficient (<em>D</em>) for each component. The pseudo-2D diffusion model is employed to simulate the proton spin diffusion build-up/decay curves, simultaneously calculating the lateral fraction of island-like structures (<em>x</em>-ratio). Such approach was successfully applied to various polymer systems, such as semi-crystalline polymer (Poly(ε-caprolactone), PCL), block copolymers (Styrene-butadiene-styrene triblock copolymer, SBS), and plasticized semi-polymers (Polvinyl alcohol, PVA).</p></div>","PeriodicalId":21937,"journal":{"name":"Solid state nuclear magnetic resonance","volume":"132 ","pages":"Article 101946"},"PeriodicalIF":1.8,"publicationDate":"2024-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141463757","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}
引用次数: 0
A combined solid-state 1H, 13C, 17O NMR and periodic DFT study of hyperfine coupling tensors in paramagnetic copper(II) compounds 顺磁铜(II)化合物中超细耦合张量的固态 1H、13C、17O NMR 和周期 DFT 综合研究。
IF 1.8 3区 化学
Solid state nuclear magnetic resonance Pub Date : 2024-06-25 DOI: 10.1016/j.ssnmr.2024.101945
Yizhe Dai , Victor Terskikh , Gang Wu
{"title":"A combined solid-state 1H, 13C, 17O NMR and periodic DFT study of hyperfine coupling tensors in paramagnetic copper(II) compounds","authors":"Yizhe Dai ,&nbsp;Victor Terskikh ,&nbsp;Gang Wu","doi":"10.1016/j.ssnmr.2024.101945","DOIUrl":"10.1016/j.ssnmr.2024.101945","url":null,"abstract":"<div><p>We report solid-state <sup>1</sup>H, <sup>13</sup>C, and <sup>17</sup>O NMR determination of hyperfine coupling tensors (<em>A</em>-tensors) in several paramagnetic Cu(II) (<em>d</em><sup>9</sup>, <em>S</em> = 1/2) complexes: <em>trans</em>-Cu(DL-Ala)<sub>2</sub>·H<sub>2</sub><sup>17</sup>O, Cu([1–<sup>13</sup>C]acetate)<sub>2</sub>·H<sub>2</sub>O, Cu([2–<sup>13</sup>C]acetate)<sub>2</sub>·H<sub>2</sub>O, and Cu(acetate)<sub>2</sub>·H<sub>2</sub><sup>17</sup>O. Using these new experimental results and some <em>A</em>-tensor data available in the literature for <em>trans</em>-Cu(L-Ala)<sub>2</sub> and K<sub>2</sub>CuCl<sub>4</sub>·2H<sub>2</sub>O, we were able to examine the accuracy of <em>A</em>-tensor computation from a periodic DFT method implemented in the BAND program. We evaluated <em>A</em>-tensors on <sup>1</sup>H (<em>I</em> = 1/2), <sup>13</sup>C (<em>I</em> = 1/2), <sup>14</sup>N (<em>I</em> = 1), <sup>17</sup>O (<em>I</em> = 5/2), <sup>39</sup>K (<em>I</em> = 3/2), <sup>35</sup>Cl (<em>I</em> = 3/2), and <sup>6</sup><sup><sup>3</sup></sup>Cu (<em>I</em> = 3/2) nuclei over a range spanning more than 3 orders of magnitude. We found that the BAND code can reproduce reasonably well the experimental results for both <em>A</em>-tensors and nuclear quadrupole coupling tensors.</p></div>","PeriodicalId":21937,"journal":{"name":"Solid state nuclear magnetic resonance","volume":"132 ","pages":"Article 101945"},"PeriodicalIF":1.8,"publicationDate":"2024-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0926204024000316/pdfft?md5=ae64e66e28bb0afa12d18d1f523805f6&pid=1-s2.0-S0926204024000316-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141538619","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}
引用次数: 0
Anisotropic relaxation of nuclear spins dipolar energy of water molecules in two-dimensional nanopores - A single crystal NMR study 二维纳米孔隙中水分子核自旋偶极能的各向异性弛豫--单晶体核磁共振研究
IF 1.8 3区 化学
Solid state nuclear magnetic resonance Pub Date : 2024-06-19 DOI: 10.1016/j.ssnmr.2024.101944
Alexander M. Panich , Jan Swenson
{"title":"Anisotropic relaxation of nuclear spins dipolar energy of water molecules in two-dimensional nanopores - A single crystal NMR study","authors":"Alexander M. Panich ,&nbsp;Jan Swenson","doi":"10.1016/j.ssnmr.2024.101944","DOIUrl":"https://doi.org/10.1016/j.ssnmr.2024.101944","url":null,"abstract":"<div><p>Energy transfer from Zeeman to dipolar order discovered by Jeener et al. is usually observed in solids with a strong dipole-dipole interaction of nuclear spins. It is not observed in liquids, where fast molecular motion completely averages this interaction. The intermediate case, when the dipole-dipole interaction of nuclear spins is only partially averaged, has been poorly studied. We report on the first measurement of an angular-dependent proton spin relaxation of a dipolar reservoir in mobile water molecules confined in the interlayer pores of a vermiculite single crystal. In this layered crystal, the intramolecular dipole-dipole interactions of nuclear spins are only partially averaged due to the restricted anisotropic molecular motion in nanopores. We show that this allows the formation of dipolar echo. We measured the spin-lattice relaxation times of the dipolar order <em>T</em><sub><em>1D</em></sub> at different angles between the normal to the crystal surface and the applied magnetic field and obtained a distinct angular dependence of <em>T</em><sub><em>1D</em></sub>. The minimum relaxation rate <em>R</em><sub><em>1D</em></sub> was found around the magic angle of 54.74°.</p></div>","PeriodicalId":21937,"journal":{"name":"Solid state nuclear magnetic resonance","volume":"132 ","pages":"Article 101944"},"PeriodicalIF":1.8,"publicationDate":"2024-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141438408","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}
引用次数: 0
Microscopic understanding of NMR signals by dynamic mean-field theory for spins 通过自旋动态平均场理论从微观角度理解核磁共振信号
IF 3.2 3区 化学
Solid state nuclear magnetic resonance Pub Date : 2024-05-24 DOI: 10.1016/j.ssnmr.2024.101936
Timo Gräßer , Thomas Hahn , Götz S. Uhrig
{"title":"Microscopic understanding of NMR signals by dynamic mean-field theory for spins","authors":"Timo Gräßer ,&nbsp;Thomas Hahn ,&nbsp;Götz S. Uhrig","doi":"10.1016/j.ssnmr.2024.101936","DOIUrl":"10.1016/j.ssnmr.2024.101936","url":null,"abstract":"<div><p>A recently developed dynamic mean-field theory for disordered spins (spinDMFT) is shown to capture the spin dynamics of nuclear spins very well. The key quantities are the spin autocorrelations. In order to compute the free induction decay (FID), pair correlations are needed in addition. They can be computed on spin clusters of moderate size which are coupled to the dynamic mean fields determined in a first step by spinDMFT. We dub this versatile approach non-local spinDMFT (nl-spinDMFT). It is a particular asset of nl-spinDMFT that one knows from where the contributions to the FID stem. We illustrate the strengths of nl-spinDMFT in comparison to experimental data for CaF<sub>2</sub>. Furthermore, spinDMFT provides the dynamic mean fields explaining the FID of the nuclear spins of <sup>13</sup>C in adamantane up to some static noise. The spin Hahn echo in adamantane is free from effects of static noise and agrees excellently with the spinDMFT results without further fitting.</p></div>","PeriodicalId":21937,"journal":{"name":"Solid state nuclear magnetic resonance","volume":"132 ","pages":"Article 101936"},"PeriodicalIF":3.2,"publicationDate":"2024-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0926204024000225/pdfft?md5=5c5e65aad81fd60774cb14a23ee84b0f&pid=1-s2.0-S0926204024000225-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141182730","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}
引用次数: 0
Automatic fitting of multiple-field solid-state NMR spectra 自动拟合多场固态 NMR 光谱
IF 3.2 3区 化学
Solid state nuclear magnetic resonance Pub Date : 2024-04-07 DOI: 10.1016/j.ssnmr.2024.101935
Frédéric A. Perras , Alexander L. Paterson
{"title":"Automatic fitting of multiple-field solid-state NMR spectra","authors":"Frédéric A. Perras ,&nbsp;Alexander L. Paterson","doi":"10.1016/j.ssnmr.2024.101935","DOIUrl":"https://doi.org/10.1016/j.ssnmr.2024.101935","url":null,"abstract":"<div><p>The NMR lineshapes produced by half-integer quadrupolar nuclei are sensitive to 11 distinct fit parameters per inequivalent site. To date, automatic fitting routines have failed to replace manual parameter insertion and evaluation due to the importance of local minima and the need for fitting multiple-field magic-angle spinning (MAS) and static spectra simultaneously. Herein we introduce a new tool, AMES-Fit (Automatic Multiple Experiment Simulation and Fitting), to automatically find the global best-fit simulation parameters for a series of multiple-field NMR lineshapes. AMES-Fit uses an adaptive step size random search algorithm to dynamically probe parameter space and requires minimal human input. The best fits are obtained in a few minutes of computation time that would otherwise have required several person-hours of work. The program is freely available and open-source.</p></div>","PeriodicalId":21937,"journal":{"name":"Solid state nuclear magnetic resonance","volume":"131 ","pages":"Article 101935"},"PeriodicalIF":3.2,"publicationDate":"2024-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140543926","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}
引用次数: 0
Solid-state NMR spectra of amino acid enantiomers and their relative intensities 氨基酸对映体的固态 NMR 光谱及其相对强度
IF 3.2 3区 化学
Solid state nuclear magnetic resonance Pub Date : 2024-04-01 DOI: 10.1016/j.ssnmr.2024.101925
Audrey-Anne Lafrance, Manon Girard, David L. Bryce
{"title":"Solid-state NMR spectra of amino acid enantiomers and their relative intensities","authors":"Audrey-Anne Lafrance,&nbsp;Manon Girard,&nbsp;David L. Bryce","doi":"10.1016/j.ssnmr.2024.101925","DOIUrl":"10.1016/j.ssnmr.2024.101925","url":null,"abstract":"<div><p>Under normal experimental conditions in an achiral environment, NMR spectra of enantiomers have chemical shifts and <em>J</em> couplings which are not differentiable. In this work, the reproducibility of spectral intensities for pairs of amino acid enantiomers, as well as factors influencing these intensities, is assessed using <sup>13</sup>C and <sup>15</sup>N cross-polarization magic-angle spinning (CP/MAS) NMR spectroscopy. Prompted by a recent literature debate over a possible influence of the chirality-induced spin selectivity (CISS) effect on spectral intensities obtained in CP/MAS NMR experiments carried out on enantiomers, a number of control experiments were performed with recycle delays of at least 5<em>T</em><sub>1</sub>. These included the analysis of proton-decoupled Bloch decay solid-state NMR spectra as well as solution NMR spectra where the cross polarization process is absent. Bloch decay and CP/MAS NMR spectra yield the same relative intensities for pairs of enantiomers while solution NMR spectra provide relative intensities closest to unity. Differences of plus-or-minus a few percent in the D/L spectral intensity ratios observed in all solid-state NMR experiments are due to sample preparation (i.e., grinding, particle size, partial amorphization) and limitations on sample purity. As previously described in the literature, more drastic intensity differences on the order of 50% are easily created by ball milling the samples. Finally, apodization is shown to invert the apparent D/L ratio in low signal-to-noise <sup>15</sup>N CP/MAS NMR spectra of aspartic acid enantiomers. In summary, no spectral intensity differences attributable to enantiomerism are identified.</p></div>","PeriodicalId":21937,"journal":{"name":"Solid state nuclear magnetic resonance","volume":"131 ","pages":"Article 101925"},"PeriodicalIF":3.2,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0926204024000110/pdfft?md5=14550f94457b1ce258b7efffa00efb7e&pid=1-s2.0-S0926204024000110-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140349354","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}
引用次数: 0
14N NMR of magnetically oriented microcrystals 磁定向微晶的 14N NMR
IF 3.2 3区 化学
Solid state nuclear magnetic resonance Pub Date : 2024-03-26 DOI: 10.1016/j.ssnmr.2024.101924
Tomoya Kamide, Yasuto Noda, Kazuyuki Takeda
{"title":"14N NMR of magnetically oriented microcrystals","authors":"Tomoya Kamide,&nbsp;Yasuto Noda,&nbsp;Kazuyuki Takeda","doi":"10.1016/j.ssnmr.2024.101924","DOIUrl":"10.1016/j.ssnmr.2024.101924","url":null,"abstract":"<div><p><sup>14</sup>N NMR of magnetically oriented microcrystals is reported. With a home-built <sup>1</sup>H–<sup>13</sup>C–<sup>14</sup>N probe capable of modulating the rotation of the sample around the axis normal to the magnetic field, magnetically oriented microcrystal suspension (MOMS) of <span>l</span>-alanine is made. <sup>14</sup>N NMR spectra acquired with various timings during intermittent rotation lead to a rotation pattern of the MOMS similar to that of a single crystal. The effect of orientational distribution of the microcrystals to broadening of the resonance line is discussed.</p></div>","PeriodicalId":21937,"journal":{"name":"Solid state nuclear magnetic resonance","volume":"131 ","pages":"Article 101924"},"PeriodicalIF":3.2,"publicationDate":"2024-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140408046","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}
引用次数: 0
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信