Solid state nuclear magnetic resonance最新文献_第10页

Hyperpolarisation techniques Hyperpolarisation技术

IF 3.2 3区化学

Solid state nuclear magnetic resonance Pub Date : 2021-01-01 DOI: 10.1039/9781839164965-00151

Ryan E. Mewis

引用次数: 0

Applications of solid-state NMR spectroscopy in environmental science 固体核磁共振波谱在环境科学中的应用

IF 3.2 3区化学

Solid state nuclear magnetic resonance Pub Date : 2020-12-01 DOI: 10.1016/j.ssnmr.2020.101698

Qian Wang, Ulla Gro Nielsen

引用次数: 6

Structural and functional synthesis of the continuous wave NQR temperature sensor with increased conversion linearity 增加转换线性度的连续波NQR温度传感器的结构和功能合成

IF 3.2 3区化学

Solid state nuclear magnetic resonance Pub Date : 2020-12-01 DOI: 10.1016/j.ssnmr.2020.101700

A. Samila , I. Safronov , O. Hotra

{"title":"Structural and functional synthesis of the continuous wave NQR temperature sensor with increased conversion linearity","authors":"A. Samila , I. Safronov , O. Hotra","doi":"10.1016/j.ssnmr.2020.101700","DOIUrl":"10.1016/j.ssnmr.2020.101700","url":null,"abstract":"<div>The paper describes development of the detailed structure and circuit diagrams of the continuous wave NQR temperature sensor with increased conversion linearity. It is experimentally established that at amplitude modulation of 40% and change of input voltage in the range of 20–1000 mV, the circuit of a symmetric marginal oscillator with a linear active demodulator provides better linearity of transfer characteristic than the circuits of asymmetric marginal oscillators with JFET or diode detectors. As a thermometric substance of the proposed NQR sensor, copper oxide Cu2O was used, which is characterized by a strong temperature dependence of the resonance frequency of 63Cu NQR. In contrast to 35Cl NQR in KClO3, for cuprous oxide the temperature dependence of 63Сu NQR frequency in the frequency range 26.621–25.658 MHz is linear in the temperature range 100–390 K. It is experimentally confirmed that the use of a low mass sample (less than 200 mg) as a thermometric substance of the proposed NQR sensor is quite sufficient for successfully observation of the resonance line at the SNR equal to 9.1 dB.</div>","PeriodicalId":21937,"journal":{"name":"Solid state nuclear magnetic resonance","volume":"110 ","pages":"Article 101700"},"PeriodicalIF":3.2,"publicationDate":"2020-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.ssnmr.2020.101700","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"38620538","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: 3

Iterative baseline correction algorithm for dead time truncated one-dimensional solid-state MAS NMR spectra 死时间截断一维固态MAS核磁共振谱的迭代基线校正算法

IF 3.2 3区化学

Solid state nuclear magnetic resonance Pub Date : 2020-12-01 DOI: 10.1016/j.ssnmr.2020.101699

Maxime Yon, Franck Fayon, Dominique Massiot, Vincent Sarou-Kanian

{"title":"Iterative baseline correction algorithm for dead time truncated one-dimensional solid-state MAS NMR spectra","authors":"Maxime Yon, Franck Fayon, Dominique Massiot, Vincent Sarou-Kanian","doi":"10.1016/j.ssnmr.2020.101699","DOIUrl":"10.1016/j.ssnmr.2020.101699","url":null,"abstract":"<div>We present an algorithm suitable for automatically correcting rolling baseline coming from time-domain truncation induced by the dead time in pulse-acquire one-dimensional MAS NMR spectra. It relies on an iterative estimation of the baseline restricted in the time-domain by the dead time duration combined with a histogram filter allowing adaptive selection of the baseline points. This method does not make any assumption regarding the NMR resonances line shapes or widths and does not modify the acquired free induction decay points. This makes it suitable for accurate deconvolution and quantification of single-pulse MAS NMR spectra. The baseline correction accuracy is evaluated on synthetic solid-state spectra of 19F, 71Ga, and 23Na by comparing the fitted baseline to the theoretical one. The versatility of the algorithm is also exemplified on three additional solid-state spectra of 23Na and 71Ga. The algorithm is made available to the community through a user-friendly standalone Matlab® application.</div>","PeriodicalId":21937,"journal":{"name":"Solid state nuclear magnetic resonance","volume":"110 ","pages":"Article 101699"},"PeriodicalIF":3.2,"publicationDate":"2020-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.ssnmr.2020.101699","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"38601561","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: 4

The 1H T1 dispersion curve of fentanyl citrate to identify NQR parameters 利用枸橼酸芬太尼的1H T1弥散曲线识别NQR参数

IF 3.2 3区化学

Solid state nuclear magnetic resonance Pub Date : 2020-12-01 DOI: 10.1016/j.ssnmr.2020.101697

Michael W. Malone , Michelle A. Espy , Sun He , Michael T. Janicke , Robert F. Williams

引用次数: 1

In-situ reaction monitoring of a mechanochemical ball mill reaction with solid state NMR 用固体核磁共振对机械化学球磨机反应进行现场监测

IF 3.2 3区化学

Solid state nuclear magnetic resonance Pub Date : 2020-10-01 DOI: 10.1016/j.ssnmr.2020.101687

Jan Gerrit Schiffmann , Franziska Emmerling , Inês C.B. Martins , Leo Van Wüllen

引用次数: 14

A method for fast field settling in cryogen-free superconducting magnets for NMR 核磁共振无低温超导磁体快速场沉降方法

IF 3.2 3区化学

Solid state nuclear magnetic resonance Pub Date : 2020-10-01 DOI: 10.1016/j.ssnmr.2020.101684

Eugeny Kryukov, Yury Bugoslavsky, Angel Joaquin Perez Linde, Thomas Holubar, Stephen Burgess, David Marlow, Jeremy Good

引用次数: 3

Combining fast magic angle spinning dynamic nuclear polarization with indirect detection to further enhance the sensitivity of solid-state NMR spectroscopy 将快速魔角自旋动态核极化与间接探测相结合，进一步提高固态核磁共振光谱的灵敏度

IF 3.2 3区化学

Solid state nuclear magnetic resonance Pub Date : 2020-10-01 DOI: 10.1016/j.ssnmr.2020.101685

Zhuoran Wang , Michael P. Hanrahan , Takeshi Kobayashi , Frédéric A. Perras , Yunhua Chen , Frank Engelke , Christian Reiter , Armin Purea , Aaron J. Rossini , Marek Pruski

{"title":"Combining fast magic angle spinning dynamic nuclear polarization with indirect detection to further enhance the sensitivity of solid-state NMR spectroscopy","authors":"Zhuoran Wang , Michael P. Hanrahan , Takeshi Kobayashi , Frédéric A. Perras , Yunhua Chen , Frank Engelke , Christian Reiter , Armin Purea , Aaron J. Rossini , Marek Pruski","doi":"10.1016/j.ssnmr.2020.101685","DOIUrl":"10.1016/j.ssnmr.2020.101685","url":null,"abstract":"<div>Dynamic nuclear polarization (DNP) and indirect detection are two commonly applied approaches for enhancing the sensitivity of solid-state NMR spectroscopy. However, their use in tandem has not yet been investigated. With the advent of low-temperature fast magic angle spinning (MAS) probes with 1.3-mm diameter rotors capable of MAS at 40 kHz it becomes feasible to combine these two techniques. In this study, we performed DNP-enhanced 2D indirectly detected heteronuclear correlation (idHETCOR) experiments on 13C, 15N, 113Cd and 89Y nuclei in functionalized mesoporous silica, CdS nanoparticles, and Y2O3 nanoparticles. The sensitivity of the 2D idHETCOR experiments was compared with those of DNP-enhanced directly-detected 1D cross polarization (CP) and 2D HETCOR experiments performed with a standard 3.2-mm rotor. Due to low CP polarization transfer efficiencies and large proton linewidth, the sensitivity gains achieved by indirect detection alone were lower than in conventional (non-DNP) experiments. Nevertheless, despite the smaller sample volume the 2D idHETCOR experiments showed better absolute sensitivities than 2D HETCOR experiments for nuclei with the lowest gyromagnetic ratios. For 89Y, 2D idHETCOR provided 8.2 times better sensitivity than the 1 D89Y-detected CP experiment performed with a 3.2-mm rotor.</div>","PeriodicalId":21937,"journal":{"name":"Solid state nuclear magnetic resonance","volume":"109 ","pages":"Article 101685"},"PeriodicalIF":3.2,"publicationDate":"2020-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.ssnmr.2020.101685","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"38381848","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: 17

Tailoring NMR experiments for structural characterization of amorphous biological solids: A practical guide 裁剪核磁共振实验的结构表征无定形生物固体:实用指南

IF 3.2 3区化学

Solid state nuclear magnetic resonance Pub Date : 2020-10-01 DOI: 10.1016/j.ssnmr.2020.101686

John E. Kelly , Christine Chrissian , Ruth E. Stark

{"title":"Tailoring NMR experiments for structural characterization of amorphous biological solids: A practical guide","authors":"John E. Kelly , Christine Chrissian , Ruth E. Stark","doi":"10.1016/j.ssnmr.2020.101686","DOIUrl":"10.1016/j.ssnmr.2020.101686","url":null,"abstract":"<div>Many interesting solid-state targets for biological research do not form crystalline structures; these materials include intrinsically disordered proteins, plant biopolymer composites, cell-wall polysaccharides, and soil organic matter. The absence of aligned repeating structural elements and atomic-level rigidity presents hurdles to achieving structural elucidation and obtaining functional insights. We describe strategies for adapting several solid-state NMR methods to determine the molecular structures and compositions of these amorphous biosolids.The main spectroscopic problems in studying amorphous structures by NMR are over/under-sampling of the spin signals and spectral complexity. These problems arise in part because amorphous biosolids typically contain a mix of rigid and mobile domains, making it difficult to select a single experiment or set of acquisition conditions that fairly represents all nuclear spins in a carbon-based organic sample. These issues can be addressed by running hybrid experiments, such as using direct excitation alongside cross polarization-based methods, to develop a more holistic picture of the macromolecular system. In situations of spectral crowding or overlap, the structural elucidation strategy can be further assisted by coupling 13C spins to nuclei such as 15N, filtering out portions of the spectrum, highlighting individual moieties of interest, and adding a second or third spectral dimension to an NMR experiment in order to spread out the resonances and link them pairwise through space or through bonds. We discuss practical aspects and illustrations from the recent literature for 1D experiments that use cross or direct polarization and both homo- and heteronuclear 2D and 3D solid-state NMR experiments.</div>","PeriodicalId":21937,"journal":{"name":"Solid state nuclear magnetic resonance","volume":"109 ","pages":"Article 101686"},"PeriodicalIF":3.2,"publicationDate":"2020-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.ssnmr.2020.101686","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"38353990","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: 17

Field-stepwise-swept QCPMG solid-state 115In NMR of indium oxide 场逐步扫描的QCPMG固态115In氧化铟核磁共振

IF 3.2 3区化学

Solid state nuclear magnetic resonance Pub Date : 2020-10-01 DOI: 10.1016/j.ssnmr.2020.101688

Kazuhiko Yamada , Takumi Yamaguchi , Ryutaro Ohashi , Shinobu Ohki , Kenzo Deguchi , Kenjiro Hashi , Atsushi Goto , Tadashi Shimizu

引用次数: 2