Applied Magnetic Resonance最新文献_第5页

EPR Spectroscopy of the Ground Electron State of the Fe2+ Impurity Ion in Amethyst 紫水晶中 Fe2+ 杂质离子地面电子态的 EPR 光谱分析

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-07-16 DOI: 10.1007/s00723-024-01683-7

V. F. Tarasov, R. B. Zaripov

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Vanadyl Porphyrin: Efficient Spin Probe to Study the Alumina Surface of Supported Catalysts 钒基卟啉：研究支撑催化剂氧化铝表面的高效自旋探针

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-07-16 DOI: 10.1007/s00723-024-01681-9

Anna G. Chetkova, Sergey N. Trukhan, Oleg N. Martyanov

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Elucidation of Organic Reaction Mechanisms Using Nuclear Magnetic Resonance: A review 利用核磁共振阐明有机反应机理：综述

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-07-13 DOI: 10.1007/s00723-024-01676-6

Carreras J., Caputo M., Colasurdo D., Pila M., Ruiz D., Laurella S.

{"title":"Elucidation of Organic Reaction Mechanisms Using Nuclear Magnetic Resonance: A review","authors":"Carreras J., Caputo M., Colasurdo D., Pila M., Ruiz D., Laurella S.","doi":"10.1007/s00723-024-01676-6","DOIUrl":"10.1007/s00723-024-01676-6","url":null,"abstract":"<div>Nuclear magnetic resonance (NMR), a technique mainly used for structure determination, has also been extensively used for mechanism elucidation. The study of the different steps involved in a chemical reaction is of utmost importance since it permits the optimization of reaction conditions to improve the yield of a synthesis or to obtain one possible product over another one, for example. This review is organized into two sections. Firstly, the experimental issues concerning the applications of NMR to the elucidation of reaction mechanisms are revised: advantages, limitations and challenges are discussed. The different techniques used for overcoming the difficulties concerning NMR (such as low sensitivity, peak resolution, and mixing time) are described (including stop-flow, rapid-injection, liquid chromatography-NMR, dynamic nuclear polarization, and parahydrogen-induced polarization, among others). In the second section, experiments specifically designed for obtaining mechanistic information by means of different NMR techniques are summarized: kinetic experiments, detection of reaction intermediates, isotope labeling, variable-temperature experiments, and variable-pH experiments. The main objective of this work is to give an overview on the relevance of NMR as a very useful tool for elucidating organic reaction mechanisms.</div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 11","pages":"1335 - 1376"},"PeriodicalIF":1.1,"publicationDate":"2024-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141609080","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Nuclear Overhauser Effect in Determining the Configuration of 2-Nitrofuran-3-Carboxylates Hydrazones 确定 2-硝基呋喃-3-羧酸肼构型的核过豪瑟效应

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-07-11 DOI: 10.1007/s00723-024-01677-5

Kirill A. Gomonov, Vasilii V. Pelipko, Igor A. Litvinov, Ruslan I. Baichurin, Sergey V. Makarenko

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1H HYSCORE Studies of Second Sphere Variants of the Type 1 Copper Site in Azurin: Influence of Mutations on the Hyperfine Couplings of Cys112 CβH2 Protons Azurin 中 1 型铜位点第二球变体的 1H HYSCORE 研究：突变对 Cys112 CβH2 质子超细耦合的影响

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-07-09 DOI: 10.1007/s00723-024-01665-9

Quan Lam, Casey Van Stappen, Yi Lu, Sergei A. Dikanov

{"title":"1H HYSCORE Studies of Second Sphere Variants of the Type 1 Copper Site in Azurin: Influence of Mutations on the Hyperfine Couplings of Cys112 CβH2 Protons","authors":"Quan Lam, Casey Van Stappen, Yi Lu, Sergei A. Dikanov","doi":"10.1007/s00723-024-01665-9","DOIUrl":"10.1007/s00723-024-01665-9","url":null,"abstract":"<div>In this work, we examined the influence of F114P, F114N, and N47S mutations on the electronic structure of the T1 copper center in azurin (Az) by studying the hyperfine couplings of CβH2 protons of Cys112 using the two-dimensional (2D) pulsed EPR technique HYSCORE (hyperfine sublevel correlation). Our results show that isotropic hyperfine couplings for the two Cys112 Cβ protons in WTAz, F114NAz, and N47SAz vary within 21 ± 2 MHz, with differences of only several tenths of MHz between the two protons in a given protein despite major variations previously observed in SC112 electron density. Furthermore, significantly smaller couplings of 0.7 MHz and 7.4 MHz are observed for the F114PAz mutation—which eliminates a backbone amide H-bonding interaction with SC112—despite previous observations of a significant increase in S character in the SOMO, demonstrating a more complex relationship between Cβ–1H hyperfine and the unpaired spin density of SC112 than previously proposed. In addition, the 2D HYSCORE spectra show resolvable differences in the anisotropic couplings between the two protons in all samples, indicating inconsistencies between previously reported ENDOR and computational data for the WTAz protein. Other findings visible in 2D spectra is the distortion of the cross-ridges from Cys112 CβH2 protons with the large isotropic couplings resulted from aiso strain produced by the fluctuations of the Cβ‒H2 group orientation within θ ~ ± 2° degrees around the most populated conformation.</div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 9","pages":"1159 - 1174"},"PeriodicalIF":1.1,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141571777","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Molecular Mobility Study of 1-Butyl-1-Methylpyrrolidinium Bis(trifluoromethylsulfonyl)imide Ionic Liquid by NMR Diffusometry 利用核磁共振扩散仪研究 1-丁基-1-甲基吡咯烷鎓双(三氟甲基磺酰基)亚胺离子液体的分子迁移率

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-07-08 DOI: 10.1007/s00723-024-01678-4

Konstantin V. Tyutyukin, Alexandr V. Ievlev, Vladimir V. Matveev, Luis M. Varela, Oscar Cabeza

{"title":"Molecular Mobility Study of 1-Butyl-1-Methylpyrrolidinium Bis(trifluoromethylsulfonyl)imide Ionic Liquid by NMR Diffusometry","authors":"Konstantin V. Tyutyukin, Alexandr V. Ievlev, Vladimir V. Matveev, Luis M. Varela, Oscar Cabeza","doi":"10.1007/s00723-024-01678-4","DOIUrl":"10.1007/s00723-024-01678-4","url":null,"abstract":"<div>Nuclear magnetic resonance (NMR) investigations of the ionic liquid (IL) 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide (BmpyrTFSI) are presented. BmpyrTFSI is one of the most commonly used electrolytes, either as a pure liquid or in combination with other solvents and salts. We have studied its physicochemical properties by NMR diffusion, which allows us to measure independently the self-diffusion coefficients of both anions and cations: 1H for the bmpyr+ cation, 19F for the TFSI anion and 13C for both ions. The purity of the test liquid was verified by NMR spectroscopy and it was shown that there were no impurity lines in the spectra on the 1H and 13C nuclei. Self-diffusion coefficients of the cation and anion were measured in the temperature range of 243 to 333 K, which were used to study the mobility of the ions for comparison with the ionic conductivity. All the diffusion attenuations are described by a single component; we can conclude that neither ion pairs nor more complex conglomerates are observed in our system. We believe that the conductivity is completely determined by the self-diffusion of the ions. In addition, the agreement of our data with literature data on the temperature dependence of self-diffusion coefficients on the values of viscosity and ionic conductivity is considered. It is shown that the Stokes–Einstein relation is a poor description of the molecular mobility of this IL.</div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 8","pages":"785 - 794"},"PeriodicalIF":1.1,"publicationDate":"2024-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141571611","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Impact of γ-Irradiation on Separation of Nuclear Spin-Relaxation Mechanisms Under Magnetic Saturation in a NaF Crystal γ-辐照对 NaF 晶体磁饱和状态下核磁自旋共振机制分离的影响

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-07-05 DOI: 10.1007/s00723-024-01675-7

A. M. Rochev, V. M. Mikushev, E. V. Charnaya

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DEER Study of Spatial Arrangement of Spin-Labeled Diclofenac in Lipid Bilayers of Different Composition 自旋标记双氯芬酸在不同成分脂质双分子层中的空间排列 DEER 研究

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-07-02 DOI: 10.1007/s00723-024-01674-8

Anna S. Kashnik, Anastasiya N. Atnyukova, Denis S. Baranov, Sergei A. Dzuba

{"title":"DEER Study of Spatial Arrangement of Spin-Labeled Diclofenac in Lipid Bilayers of Different Composition","authors":"Anna S. Kashnik, Anastasiya N. Atnyukova, Denis S. Baranov, Sergei A. Dzuba","doi":"10.1007/s00723-024-01674-8","DOIUrl":"10.1007/s00723-024-01674-8","url":null,"abstract":"<div>Diclofenac is a non-steroidal anti-inflammatory drug (NSAID). Here, we use double electron–electron resonance (DEER, also known as PELDOR) to study the interaction of spin-labeled diclofenac (diclofenac-SL) with three types of model membranes consisting of palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC), an equimolar mixture of 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) and 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC), and this mixture with the addition of 20 mol% cholesterol. The results suggest that lipid-mediated lateral clustering of diclofenac-SL molecules occurs in all cases. For the POPC bilayer, alternative clustering takes place in two opposite leaflets, with random distribution of the molecules within the clusters. For DOPC/DPPC and DOPC/DPPC/cholesterol bilayers, diclofenac-SL molecules are separated by a distance of at least 1.4 nm. DOPC/DPPC/cholesterol bilayers are known to form nanoscale liquid disordered and liquid ordered lateral structures, the latter called lipid rafts. For this case, diclofenac-SL molecules were found to be captured by lipid rafts, forming a quasi-regular two-dimensional substructure in them with a “superlattice” parameter of ~ 3.0 nm.</div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 9","pages":"1145 - 1157"},"PeriodicalIF":1.1,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141519424","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Electron Spin Resonance Spectroscopy on Magnetic van der Waals Compounds 磁性范德华化合物的电子自旋共振光谱学

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-07-01 DOI: 10.1007/s00723-024-01671-x

Vladislav Kataev, Bernd Büchner, Alexey Alfonsov

{"title":"Electron Spin Resonance Spectroscopy on Magnetic van der Waals Compounds","authors":"Vladislav Kataev, Bernd Büchner, Alexey Alfonsov","doi":"10.1007/s00723-024-01671-x","DOIUrl":"10.1007/s00723-024-01671-x","url":null,"abstract":"<div>The field of research on magnetic van der Waals compounds—a special subclass of quasi-two-dimensional materials—is currently rapidly expanding due to the relevance of these compounds to fundamental research where they serve as a playground for the investigation of different models of quantum magnetism and also in view of their unique magneto-electronic and magneto-optical properties pertinent to novel technological applications. The electron spin resonance (ESR) spectroscopy plays an important role in the exploration of the rich magnetic behavior of van der Waals compounds due to its high sensitivity to magnetic anisotropies and unprecedentedly high energy resolution that altogether enable one to obtain thorough insights into the details of the spin structure in the magnetically ordered state and the low-energy spin dynamics in the ordered and paramagnetic phases. This article provides an overview of the recent achievements in this field made by the ESR spectroscopic techniques encompassing representatives of antiferro- and ferromagnetic van der Waals compounds of different crystal structures and chemical composition as well as of a special category of these materials termed magnetic topological insulators.</div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 9","pages":"923 - 960"},"PeriodicalIF":1.1,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00723-024-01671-x.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141548478","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Hydration and Hydrolysis of Boron-Substituted Aluminophosphate BAPO-5 According to Solid-State NMR and DFT Calculations 根据固态核磁共振和 DFT 计算得出的硼代磷酸铝 BAPO-5 的水合和水解作用

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-06-27 DOI: 10.1007/s00723-024-01673-9

Ilya V. Yakovlev, Evgeniy S. Papulovskiy, Aleksandr A. Shubin, Aleksandr V. Toktarev, Olga B. Lapina

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