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Experience of how to build an MRI machine from scratch 如何从头开始构建核磁共振成像机的经验
IF 7.3 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-06-02 DOI: 10.1016/j.pnmrs.2025.101574
Shaoying Huang , José Miguel Algarín , Joseba Alonso , R Anieyrudh , Jose Borreguero , Fabian Bschorr , Paul Cassidy , Wei Ming Choo , David Corcos , Teresa Guallart-Naval , Heng Jing Han , Kay Chioma Igwe , Jacob Kang , Joe Li , Sebastian Littin , Jie Liu , Gonzalo Gabriel Rodriguez , Eddy Solomon , Li-Kuo Tan , Rui Tian , Bernhard Blümich
Nuclear magnetic resonance instruments are becoming available to the do-it-yourself community, and there is increasing interest in the practical aspects of building a magnetic resonance imaging instrument from scratch. This review is focused on the different steps involved in such an endeavour, the challenges encountered and their solutions; it is based on experience gained at a four-day “hackathon” (named “ezyMRI”) at Singapore University of Technology and Design in spring 2024. One day of this event was devoted to educational lectures and three days to system construction and testing; seventy young researchers from all parts of the world formed six teams focusing respectively on magnet, gradient coil, RF coil, console, system integration, and design, which together produced a working MRI instrument in three days.
核磁共振仪器正逐渐被自己动手的社区所使用,并且人们对从零开始建造核磁共振成像仪器的实际方面越来越感兴趣。这次审查的重点是这一努力所涉及的不同步骤、所遇到的挑战及其解决办法;它是基于2024年春天在新加坡科技与设计大学举行的为期四天的“黑客马拉松”(名为“ezyMRI”)中获得的经验。该活动有一天用于教育讲座,三天用于系统构建和测试;来自世界各地的70名年轻研究人员组成了6个小组,分别专注于磁体、梯度线圈、射频线圈、控制台、系统集成和设计,在3天内共同制作了一台可以工作的MRI仪器。
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引用次数: 0
Advances in solid-state NMR for the studies of mesoporous solids: fast magic spinning and dynamic nuclear polarization 固体核磁共振在介孔固体研究中的进展:快速幻旋和动态核极化
IF 7.3 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-06-02 DOI: 10.1016/j.pnmrs.2025.101573
Frédéric A. Perras , Marek Pruski
This review provides an up-to-date account of the development of two solid-state (SS)NMR methods for enhancing resolution and sensitivity, fast magic angle spinning (MAS) and dynamic nuclear polarization (DNP), and the resulting progress in surface science. We demonstrate the high resolution and efficiency that can be achieved by using two-dimensional homo- and heteronuclear correlation experiments with small rotors capable of MAS at rates exceeding 100 kHz. DNP has offered significant enhancements in signal sensitivity and allowed access to nuclei and experiments that are beyond the limits of conventional SSNMR. The continuing progress in fast MAS and DNP methodologies in recent years generated an unprecedented shift in SSNMR’s capabilities in the studies of surface and interface regions of solids, especially mesoporous supports and catalysts. We give numerous examples of recent applications and discuss the prospects for further improvements of both methods.
本文综述了两种提高分辨率和灵敏度的固态核磁共振方法——快速魔角旋转(MAS)和动态核极化(DNP)的最新发展,以及由此产生的表面科学进展。我们展示了高分辨率和效率,可以实现使用二维同质核和异核相关实验与小转子能够在超过100 kHz的速率MAS。DNP大大提高了信号灵敏度,并允许访问超出常规SSNMR限制的核和实验。近年来,快速MAS和DNP方法的不断发展,使SSNMR在固体表面和界面区域,特别是介孔载体和催化剂研究方面的能力发生了前所未有的变化。我们给出了许多最近应用的例子,并讨论了两种方法进一步改进的前景。
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引用次数: 0
NMR-based metabolomics: Where are we now and where are we going? 基于核磁共振的代谢组学:我们现在在哪里,我们要去哪里?
IF 7.3 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-04-29 DOI: 10.1016/j.pnmrs.2025.101564
G.A. Nagana Gowda , Wentao Zhu , Daniel Raftery
The fast-growing field of metabolomics focuses on the analyses of complicated mixtures of small molecules present in biological samples. To date, metabolomics has provided a wealth of information on biological systems and impacted numerous areas of basic and life sciences. A major focus of metabolomics has been on biomedicine with the goal of biomarker discovery, drug discovery and improved mechanistic understanding of the pathogenesis of many human diseases. Analytical methods play a pivotal role in metabolomics, with the two most widely used platforms being nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS). Among their many complementary capabilities, NMR is generally more reproducible and quantitative, whereas MS is more sensitive. Recent technological advances in NMR have resulted in multifaceted developments, including improvements in sensitivity, resolution and speed, along with expanded metabolite identification and quantitation, which together provide exciting potential for future studies. In addition to NMR developments, the combination of NMR with MS provides numerous benefits that are becoming more evident over time. Hence, the metabolomics field has witnessed an increased number of studies and applications that combine NMR with MS in numerous areas, including new methods development for unknown identification, metabolite quantitation, disease biomarker discovery, mechanistic understanding of disease pathogenesis, and dietary risk factors of diseases among others. This report describes the current status of state-of-the-art methods in NMR-based metabolomics, along with recent advances and future prospects, with an emphasis on the benefits of combining NMR with MS.
快速发展的代谢组学领域侧重于分析生物样品中存在的小分子的复杂混合物。迄今为止,代谢组学已经提供了丰富的生物系统信息,并影响了基础科学和生命科学的许多领域。代谢组学的一个主要焦点是生物医学,其目标是发现生物标志物,发现药物和提高对许多人类疾病发病机制的理解。分析方法在代谢组学中起着举足轻重的作用,其中最广泛使用的两种平台是核磁共振(NMR)光谱和质谱(MS)。在它们的许多互补能力中,核磁共振通常更具可重复性和定量,而质谱更敏感。核磁共振的最新技术进步带来了多方面的发展,包括灵敏度、分辨率和速度的提高,以及代谢物鉴定和定量的扩大,这些都为未来的研究提供了令人兴奋的潜力。除了NMR的发展之外,NMR与MS的结合还提供了许多好处,这些好处随着时间的推移变得越来越明显。因此,代谢组学领域见证了越来越多的研究和应用,将核磁共振与质谱结合在许多领域,包括未知鉴定的新方法开发,代谢物定量,疾病生物标志物的发现,疾病发病机制的理解,以及疾病的饮食危险因素等。本报告描述了基于核磁共振代谢组学的最先进方法的现状,以及最近的进展和未来的前景,重点是核磁共振与质谱结合的好处。
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引用次数: 0
Additive fabrication for NMR probe builders 用于核磁共振探针构建器的添加剂制造
IF 7.3 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-04-27 DOI: 10.1016/j.pnmrs.2025.101563
Jose L. Uribe , Annie V. McAllister , Rachel W. Martin
Three-dimensional (3D) printing has emerged as a transformative technology for nuclear magnetic resonance (NMR) instrumentation, offering flexibility in the design and fabrication of custom tools that enhance experimental capabilities. Additive manufacturing has made it possible for many NMR labs to build their own magic angle spinning assemblies, sample handling devices, and other critical components. We summarize common 3D printing techniques, such as fused deposition modeling (FDM) and stereolithography (SLA) for polymers, along with metal printing methods like selective laser melting. By facilitating rapid prototyping, 3D printing accelerates the development and optimization of NMR systems, as well as bypassing traditional manufacturing constraints. This review also discusses perspectives on the future of 3D printing in NMR and related methods, providing cost-effective, in-house solutions that increase participation, allow for sharing and remixing of innovations, and broaden applications across chemical, biological, and materials research.
三维(3D)打印已经成为核磁共振(NMR)仪器的变革性技术,为定制工具的设计和制造提供了灵活性,增强了实验能力。增材制造使许多核磁共振实验室能够建立自己的魔角旋转组件,样品处理设备和其他关键组件。我们总结了常见的3D打印技术,如聚合物的熔融沉积建模(FDM)和立体光刻(SLA),以及金属打印方法,如选择性激光熔化。通过促进快速原型设计,3D打印加速了核磁共振系统的开发和优化,并绕过了传统的制造限制。本文还讨论了未来3D打印在核磁共振和相关方法中的前景,提供具有成本效益的内部解决方案,增加参与,允许共享和重新混合创新,并扩大在化学,生物和材料研究中的应用。
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引用次数: 0
Advances in food metabolomics: Validating NMR-based non-targeted methods and fostering collaborative NMR applications 食品代谢组学的进展:验证基于核磁共振的非靶向方法和促进核磁共振协同应用
IF 7.3 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-04-17 DOI: 10.1016/j.pnmrs.2025.101562
Biagia Musio , Antonino Rizzuti , Piero Mastrorilli , Vito Gallo
Food metabolomics has emerged as a powerful tool for characterizing complex food systems, offering a non-targeted highly discriminative approach for detecting authenticity, assessing quality, and ensuring safety across an array of food matrices. By capturing the complete spectral signature of a sample and reducing it to manageable variables, this technique provides an extensive metabolite snapshot that encompasses everything from minor compounds to major constituents.
A key advantage lies in the reproducibility and robustness of NMR spectroscopy, allowing the comparison of spectra even across different instruments and laboratories. Such comparability fosters collaborative efforts and facilitates the establishment of large, community-built datasets, which are critical for advancing reliable classification models and enabling wide-scale deployment of non-targeted protocols. Rigor in each step, ranging from selecting representative authentic samples to optimizing acquisition parameters, data processing, and classification algorithms, proves essential for achieving consistent, high-quality metabolomics data.
As validation and standardization practices become more widely accepted, NMR-based non-targeted approaches will accelerate innovations in food product monitoring and labeling, reduce analytical uncertainties, and address emerging challenges in food fraud detection. Ultimately, by combining best-in-class protocols, collaborative networks, and open-access data repositories, non-targeted NMR metabolomics has the potential to revolutionize traceability and foster global consumer confidence in the authenticity and quality of the food supply chain.
食品代谢组学已经成为表征复杂食品系统的有力工具,为检测真实性、评估质量和确保一系列食品基质的安全性提供了一种非靶向的高度判别方法。通过捕获样品的完整光谱特征并将其减少到可管理的变量,该技术提供了广泛的代谢物快照,包括从次要化合物到主要成分的所有内容。一个关键的优势在于核磁共振光谱的可重复性和稳健性,允许在不同的仪器和实验室之间进行光谱比较。这种可比性促进了协作努力,并促进了大型社区构建数据集的建立,这对于推进可靠的分类模型和实现非目标协议的大规模部署至关重要。从选择具有代表性的真实样本到优化采集参数、数据处理和分类算法,每一步都要严谨,这对于获得一致、高质量的代谢组学数据至关重要。随着验证和标准化实践越来越被广泛接受,基于核磁共振的非靶向方法将加速食品监测和标签的创新,减少分析的不确定性,并解决食品欺诈检测中的新挑战。最终,通过结合一流的协议、协作网络和开放访问数据存储库,非靶向NMR代谢组学有可能彻底改变可追溯性,并培养全球消费者对食品供应链真实性和质量的信心。
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引用次数: 0
In-cell NMR spectroscopy of nucleic acids: Basic concepts, practical aspects, and applications 核酸的细胞内核磁共振波谱:基本概念,实际方面和应用
IF 7.3 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-02-24 DOI: 10.1016/j.pnmrs.2025.101560
Silvie Foldynova-Trantirkova , Jakub Harnos , Jan Rynes , Vladimira Zlinska , Lukas Trantirek
In-cell NMR spectroscopy has recently emerged as a unique source of atomically resolved information on the structure, dynamics, and interactions of nucleic acids (NAs) within the intracellular space of living cells. Its recent applications have helped reveal fundamental differences in the behaviour of NAs in cells compared to the in vitro conditions commonly used for their study, as well as in physiologically distinct cellular states. This review covers the fundamental principles and practical aspects of acquiring in-cell NMR data in currently established eukaryotic cellular models, Xenopus laevis oocytes, and human cells. The primary purpose of this review is to present and discuss the technical and conceptual aspects of in-cell NMR sample preparations and their manipulations during in-cell NMR data acquisition, as understanding these aspects is vital for comprehending the physiological significance of in-cell NMR data and the information they provide. Considerations on the planning of in-cell NMR experiments and the presentation of in-cell NMR data on nucleic acids are discussed. We hope this will enable readers to navigate through the ever-growing pool of in-cell NMR literature and gain the knowledge needed to assess and comprehend published data independently. Additionally, we hope it will inspire some readers to actively participate in this rapidly expanding and fascinating field of cellular structural biology.
最近,细胞内核磁共振波谱作为一种独特的原子分辨信息来源,研究了活细胞内核酸(NAs)的结构、动力学和相互作用。它最近的应用有助于揭示NAs在细胞中的行为与通常用于其研究的体外条件以及生理上不同的细胞状态之间的根本差异。本文综述了目前建立的真核细胞模型、非洲爪蟾卵母细胞和人类细胞中获取细胞内核磁共振数据的基本原理和实践方面。本综述的主要目的是介绍和讨论细胞内核磁共振样品制备及其在细胞内核磁共振数据采集过程中的操作的技术和概念方面,因为理解这些方面对于理解细胞内核磁共振数据及其提供的信息的生理意义至关重要。讨论了细胞内核磁共振实验的规划和核酸细胞内核磁共振数据的呈现。我们希望这将使读者能够浏览不断增长的细胞内核磁共振文献池,并获得独立评估和理解已发表数据所需的知识。此外,我们希望它能激励一些读者积极参与这个迅速发展和迷人的细胞结构生物学领域。
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引用次数: 0
Cardiovascular magnetic resonance imaging: Principles and advanced techniques 心血管磁共振成像:原理和先进技术
IF 7.3 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-02-24 DOI: 10.1016/j.pnmrs.2025.101561
Dongyue Si , Simon J. Littlewood , Michael G. Crabb , Andrew Phair , Claudia Prieto , René M. Botnar
Cardiovascular magnetic resonance (CMR) imaging is an established non-invasive tool for the assessment of cardiovascular diseases, which are the leading cause of death globally. CMR provides dynamic and static multi-contrast and multi-parametric images, including cine for functional evaluation, contrast-enhanced imaging and parametric mapping for tissue characterization, and MR angiography for the assessment of the aortic, coronary and pulmonary circulation. However, clinical CMR imaging sequences still have some limitations such as the requirement for multiple breath-holds, incomplete spatial coverage, complex planning and acquisition, low scan efficiency and long scan times. To address these challenges, novel techniques have been developed during the last two decades, focusing on automated planning and acquisition timing, improved respiratory and cardiac motion handling strategies, image acceleration algorithms employing undersampled reconstruction, all-in-one imaging techniques that can acquire multiple contrast/parameters in a single scan, deep learning based methods applied along the entire CMR imaging pipeline, as well as imaging at high- and low-field strengths. In this article, we aim to provide a comprehensive review of CMR imaging, covering both established and emerging techniques, to give an overview of the present and future applications of CMR.
心血管磁共振(CMR)成像是评估心血管疾病的一种公认的非侵入性工具,心血管疾病是全球主要的死亡原因。CMR提供动态和静态多对比度和多参数图像,包括用于功能评估的电影,用于组织表征的对比度增强成像和参数映射,以及用于评估主动脉、冠状动脉和肺循环的MR血管造影。然而,临床CMR成像序列仍存在需要多次屏气、空间覆盖不完整、规划采集复杂、扫描效率低、扫描时间长等局限性。为了应对这些挑战,在过去的二十年里,人们开发了新的技术,重点是自动规划和采集定时、改进的呼吸和心脏运动处理策略、采用欠采样重建的图像加速算法、可以在一次扫描中获取多个对比度/参数的一体化成像技术、应用于整个CMR成像管道的基于深度学习的方法。以及在高场强和低场强下成像。在这篇文章中,我们的目标是提供CMR成像的全面回顾,涵盖了成熟的和新兴的技术,给出了CMR目前和未来应用的概述。
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引用次数: 0
Zero- to ultralow-field nuclear magnetic resonance 零至超低场核磁共振
IF 7.3 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-02-15 DOI: 10.1016/j.pnmrs.2025.101558
Danila A. Barskiy , John W. Blanchard , Dmitry Budker , James Eills , Szymon Pustelny , Kirill F. Sheberstov , Michael C.D. Tayler , Andreas H. Trabesinger
Zero and ultralow-field nuclear magnetic resonance (ZULF NMR) is an NMR modality where experiments are performed in fields at which spin–spin interactions within molecules and materials are stronger than Zeeman interactions. This typically occurs at external fields of microtesla strength or below, considerably smaller than Earth’s field. In ZULF NMR, the measurement of spin–spin couplings and spin relaxation rates provides a nondestructive means for identifying chemicals and chemical fragments, and for conducting sample or process analyses. The absence of the symmetry imposed by a strong external magnetic field enables experiments that exploit terms in the nuclear spin Hamiltonian that are suppressed in high-field NMR, which in turn opens up new capabilities in a broad range of fields, from the search for dark matter to the preparation of hyperpolarized contrast agents for clinical imaging. Furthermore, as in ZULF NMR the Larmor frequencies are typically in the audio band, the nuclear spins can be manipulated with d.c. magnetic field pulses, and highly sensitive magnetometers are used for detection. In contrast to high-field NMR, the low-frequency signals readily pass through conductive materials such as metals, and heterogeneous samples do not lead to resonance line broadening, meaning that high-resolution spectroscopy is possible. Notable practical advantages of ZULF NMR spectroscopy are the low cost and relative simplicity and portability of the spectrometer system. In recent years ZULF NMR has become more accessible, thanks to improvements in magnetometer sensitivity and commercial availability, and the development of hyperpolarization methods that provide a simple means to boost signal strengths by several orders of magnitude. These topics are reviewed and a perspective on potential future avenues of ZULF-NMR research is presented.
零场和超低场核磁共振(ZULF NMR)是一种核磁共振模式,在分子和材料内部的自旋-自旋相互作用比塞曼相互作用强的场中进行实验。这通常发生在微特斯拉强度或更低的外场,比地球场小得多。在ZULF NMR中,自旋-自旋耦合和自旋弛豫速率的测量提供了一种非破坏性的方法来识别化学品和化学碎片,并进行样品或过程分析。由于缺乏由强外部磁场施加的对称性,使得实验能够利用高场核磁共振抑制的核自旋哈密顿量中的术语,这反过来又在广泛的领域开辟了新的能力,从寻找暗物质到制备用于临床成像的超极化造影剂。此外,在ZULF核磁共振中,拉莫尔频率通常在音频波段,核自旋可以用直流磁场脉冲操纵,并且使用高灵敏度的磁力计进行检测。与高场核磁共振相比,低频信号很容易通过导电材料,如金属,非均质样品不会导致共振线展宽,这意味着高分辨率光谱是可能的。ZULF核磁共振光谱的显著实用优势是低成本和相对简单和便携的光谱仪系统。近年来,由于磁力计灵敏度和商业可用性的提高,以及超极化方法的发展,ZULF NMR变得更容易获得,超极化方法提供了一种简单的方法,可以将信号强度提高几个数量级。对这些主题进行了回顾,并对ZULF-NMR研究的潜在未来途径进行了展望。
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引用次数: 0
Principles and Progress in ultrafast 2D spatiotemporally encoded MRI 超快二维时空编码MRI的原理与进展
IF 7.3 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-02-13 DOI: 10.1016/j.pnmrs.2025.101559
Mārtiņš Otikovs , Zhiyong Zhang , Lucio Frydman
Magnetic resonance imaging (MRI) is an indispensable tool used in both the lab and the clinic. Part of the strength of MRI comes from its ability to deliver anatomical information highlighted with different types of contrasts, including functional and diffusion-oriented acquisitions that are often incompatible with normal, multi-shot scans. For these problems, Nobel-award-winning techniques such as Echo Planar Imaging (EPI) have been essential in opening a manifold of new applications. EPI, however, has challenges when dealing with sharp changes in magnetic susceptibility, including those arising in the presence of air/tissue or air/fat interfaces, from non-ferromagnetic metal implants, as well when the main magnetic field cannot be shimmed to achieve the desired degree of homogeneity, as often is the case in systems built using permanent magnets. Among the techniques being proposed to deal with this kind of problem is spatiotemporally-encoded (SPEN) MRI. The present review focuses on the principles of this technique, with an emphasis on: i) explaining SPEN's resilience to field inhomogeneities, on the basis of expanded bandwidth considerations vis-à-vis EPI; ii) “the good, the bad and the ugly” associated with the undersampling that SPEN usually has to carry out when employing expanded bandwidths; iii) recent developments in data processing algorithms seeking to alleviate the “bad and the ugly” part of these experiments by formulating SPEN image reconstruction as an optimization problem, and then relying on compressed sensing and parallel imaging concepts to achieve improved image quality; and iv) the incorporation of experimental improvements including scan interleaving, simultaneous multi-banding and multi-echo elements, to keep in line with advancements in other areas of fast MRI. The strengths and weaknesses of these data sampling and processing strategies are assessed, and examples of their leverage in functional, but foremost diffusion-weighted, imaging applications, are presented.
磁共振成像(MRI)是实验室和临床不可缺少的工具。MRI的部分优势来自于其提供不同类型对比突出的解剖信息的能力,包括功能和扩散导向的获取,这通常与正常的多次扫描不兼容。对于这些问题,诸如回声平面成像(EPI)等获得诺贝尔奖的技术在开辟多种新应用方面至关重要。然而,EPI在处理磁化率的急剧变化时面临挑战,包括在非铁磁性金属植入物中存在空气/组织或空气/脂肪界面时产生的变化,以及当主磁场无法达到所需的均匀度时,如使用永磁体构建的系统中经常出现的情况。目前提出的处理这类问题的技术之一是时空编码(SPEN) MRI。目前的审查侧重于该技术的原则,重点是:i)解释SPEN的弹性场非均匀性,在扩大带宽的基础上考虑-à-vis EPI;ii)当使用扩展带宽时,SPEN通常必须进行与欠采样相关的“好、坏和丑”;iii)数据处理算法的最新发展,旨在通过将SPEN图像重建制定为优化问题,然后依靠压缩感知和并行成像概念来改善图像质量,从而减轻这些实验的“坏和丑”部分;iv)结合实验改进,包括扫描交错,同时多带和多回波元素,以保持与其他快速MRI领域的进展一致。评估了这些数据采样和处理策略的优点和缺点,并介绍了它们在功能上的杠杆作用,但最重要的是扩散加权成像应用的例子。
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引用次数: 0
Deep learning and its applications in nuclear magnetic resonance spectroscopy 深度学习及其在核磁共振波谱学中的应用
IF 7.3 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-01-17 DOI: 10.1016/j.pnmrs.2024.101556
Yao Luo, Xiaoxu Zheng, Mengjie Qiu, Yaoping Gou, Zhengxian Yang, Xiaobo Qu, Zhong Chen, Yanqin Lin
Nuclear Magnetic Resonance (NMR), as an advanced technology, has widespread applications in various fields like chemistry, biology, and medicine. However, issues such as long acquisition times for multidimensional spectra and low sensitivity limit the broader application of NMR. Traditional algorithms aim to address these issues but have limitations in speed and accuracy. Deep Learning (DL), a branch of Artificial Intelligence (AI) technology, has shown remarkable success in many fields including NMR. This paper presents an overview of the basics of DL and current applications of DL in NMR, highlights existing challenges, and suggests potential directions for improvement.
核磁共振作为一项先进的技术,在化学、生物、医学等各个领域有着广泛的应用。然而,多维光谱采集时间长、灵敏度低等问题限制了核磁共振的广泛应用。传统算法旨在解决这些问题,但在速度和准确性方面存在局限性。深度学习(DL)是人工智能(AI)技术的一个分支,在包括核磁共振在内的许多领域都取得了显著的成功。本文概述了深度学习的基础知识和目前深度学习在核磁共振中的应用,强调了存在的挑战,并提出了潜在的改进方向。
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引用次数: 0
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Progress in Nuclear Magnetic Resonance Spectroscopy
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