Applied Magnetic Resonance最新文献_第4页

EPR in Research of the Magnetic Properties of Spin-Crossover Fe(III) Complexes with Polydentate Schiff Bases EPR 在多价席夫碱自旋交叉铁(III)配合物磁性研究中的应用

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-07-26 DOI: 10.1007/s00723-024-01685-5

E. N. Frolova, O. A. Turanova, L. V. Bazan, I. V. Ovchinnikov, A. N. Turanov

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Insight into Details of Chemical Exchange Kinetics Studied by NMR CPMG Method 通过 NMR CPMG 方法研究化学交换动力学细节的启示

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-07-24 DOI: 10.1007/s00723-024-01679-3

Janez Stepišnik, Aleš Mohorič

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Celebration of 80 Years of EPR EPR 80 周年庆典

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-07-24 DOI: 10.1007/s00723-024-01688-2

Kev M. Salikhov, Sandra S. Eaton, Gareth R. Eaton

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The Challenges and Opportunities of High-Spin Mn(II) EPR and ENDOR 高旋锰(II) EPR 和ENDOR 的挑战与机遇

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-07-22 DOI: 10.1007/s00723-024-01680-w

Peter E. Doan, Alex Drena, Ajay Sharma, Brian M. Hoffman

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The Application of Hierarchical Cluster Analysis to Lignins Classification Based on Data of High-Resolution NMR and Solid-State NMR Spectra on 13C Nuclei 基于 13C 核的高分辨率 NMR 和固态 NMR 光谱数据的层次聚类分析在木质素分类中的应用

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-07-22 DOI: 10.1007/s00723-024-01686-4

Ilya A. Grishanovich, Yuliya A. Sypalova, Semyon L. Shestakov, Alexandr Yu. Kozhevnikov

{"title":"The Application of Hierarchical Cluster Analysis to Lignins Classification Based on Data of High-Resolution NMR and Solid-State NMR Spectra on 13C Nuclei","authors":"Ilya A. Grishanovich, Yuliya A. Sypalova, Semyon L. Shestakov, Alexandr Yu. Kozhevnikov","doi":"10.1007/s00723-024-01686-4","DOIUrl":"10.1007/s00723-024-01686-4","url":null,"abstract":"<div>Lignin is the second most abundant biological polymer on Earth with a complex chemical structure. A large amount of different technical lignins are produced as a waste product of the pulp and paper industry and are not used rationally. The study of the structure of such lignins is relevant due to their potential applications. It is important to obtain comprehensive knowledge about the structure of lignin macromolecule and to classify lignins based on it. High-resolution nuclear magnetic resonance (NMR) experiments for dissolved samples are widely used to study this biopolymer. However, this approach does not allow researching insoluble technical lignins. Solid-state NMR spectroscopy may become a solution to this problem. In this paper, we propose an approach to classify the degree of lignin alteration by clustering of solid-state spectra with hierarchical cluster analysis method. This approach is important because of the lack of direct correlations between the NMR spectra of lignins in the dissolved and solid states, which is based on experimental data.</div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 8","pages":"827 - 838"},"PeriodicalIF":1.1,"publicationDate":"2024-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141770231","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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Automated Image Registration and Perfusion Sorting Algorithms for PREFUL MRI 用于 PREFUL MRI 的自动图像注册和灌注排序算法

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-07-20 DOI: 10.1007/s00723-024-01684-6

Timofei V. Taran, Olga S. Pavlova, Mikhail V. Gulyaev, Dmitry S. Dmitriev, Aleksandr G. Pistrak, Kirill N. Ryabikov, Viktor P. Tarasov, Yury A. Pirogov

{"title":"Automated Image Registration and Perfusion Sorting Algorithms for PREFUL MRI","authors":"Timofei V. Taran, Olga S. Pavlova, Mikhail V. Gulyaev, Dmitry S. Dmitriev, Aleksandr G. Pistrak, Kirill N. Ryabikov, Viktor P. Tarasov, Yury A. Pirogov","doi":"10.1007/s00723-024-01684-6","DOIUrl":"10.1007/s00723-024-01684-6","url":null,"abstract":"<div>Respiratory diseases are the leading cause of death and disabilities worldwide. Current clinical approaches are based on computed tomography and positron emission tomography which use harmful ionizing radiation and cannot be used often. Because of that, proton MRI is a promising tool for functional lung assessment. PREFUL MRI method was shown to yield promising results for future clinical use, however, no standard imaging protocols or computer programs which do not require human supervision exist. Therefore, the purpose of this study was to make a step toward automating and improving robustness of the PREFUL method. Several algorithms were designed including phase sorting for respiratory and heart cycles, image registration and lung segmentation. Ten healthy volunteers underwent PREFUL MRI study and maps of fractional ventilation (FV) and perfusion (Qquant) were calculated. The maps showed no sign of any pathology and among all healthy volunteers the mean values of FV and Qquant were 0.21 ± 0.08 and 460 ± 140 ml/min/100 ml, respectively. The obtained results are well agreed with known research data. Thus, our designed automated algorithms for PREFUL MRI can be implemented for assessing ventilation and perfusion of the lung.</div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 8","pages":"741 - 752"},"PeriodicalIF":1.1,"publicationDate":"2024-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141740510","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

Differentiation of Cinchonine and Cinchonidine Derivatives Through 13C NMR Analysis of the Quinuclidine Ring 通过对奎宁环的 13C NMR 分析区分辛可宁和辛可尼丁衍生物

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-07-20 DOI: 10.1007/s00723-024-01687-3

Denilson F. Oliveira, Alan R. T. Machado, Mariana G. Aguilar, Abraão J. S. Viana

{"title":"Differentiation of Cinchonine and Cinchonidine Derivatives Through 13C NMR Analysis of the Quinuclidine Ring","authors":"Denilson F. Oliveira, Alan R. T. Machado, Mariana G. Aguilar, Abraão J. S. Viana","doi":"10.1007/s00723-024-01687-3","DOIUrl":"10.1007/s00723-024-01687-3","url":null,"abstract":"<div>With a view to developing a procedure for the differentiation of cinchonine derivatives from cinchonidine derivatives by NMR analysis, experimental data on cinchonine and cinchonidine, after their dissolution in different solvents (CDCl3, CD3OD and DMSO-d6), were compared with theoretical data, originating from different methodologies: DP4, DP4+ , J-DP4 and ANN. Taking into account the lower computational consumption, as well as the greater efficiency in differentiation, the method selected was the trained artificial neural networks (ANN), which considered only the 13C data from the quinuclidine ring. The method successfully differentiated derivatives originating from OH group protection in ester and ether forms; replacement of the OH group by F and NH2; insertions of N3, 1H-1,2,3-triazol-1-yl and CH3O groups, linked to the quinoline ring; conversion of the vinyl group to the 1-benzyl-1H-1,2,3-triazol-4-yl; and of hydrogenation, dehydrogenation, and bromination of the vinyl group. In all cases the application of the ANN method succeeded in differentiation of cinchonine from cinchonidine derivatives.</div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 11","pages":"1377 - 1388"},"PeriodicalIF":1.1,"publicationDate":"2024-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141740509","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

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

引用次数: 0

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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