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Cryogenic W-band Electron Spin Resonance Probehead with an Integral Cryogenic Low Noise Amplifier 带集成低温低噪声放大器的低温w波段电子自旋共振探头
IF 1.1 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2024-12-05 DOI: 10.1007/s00723-024-01732-1
Moamen Jbara, Oleg Zgadzai, Wolfgang Harneit, Aharon Blank

The quest to enhance the sensitivity of electron spin resonance (ESR) is an ongoing challenge. One potential strategy involves increasing the frequency, for instance, moving from Q-band (approximately 35 GHz) to W-band (approximately 94 GHz). However, this shift typically results in higher transmission and switching losses, as well as increased noise in signal amplifiers. In this work, we address these shortcomings by employing a W-band probehead integrated with a cryogenic low-noise amplifier (LNA) and a microresonator. This configuration allows us to position the LNA close to the resonator, thereby amplifying the acquired ESR signal with minimal losses. Furthermore, when operated at cryogenic temperatures, the LNA exhibits unparalleled noise levels that are significantly lower than those of conventional room temperature LNAs. We detail the novel probehead design and provide some experimental results at room temperature as well as cryogenic temperatures for representative paramagnetic samples. We find, for example, that spin sensitivity of ~ 3 × 105 spins/√Hz is achieved for a sample of phosphorus doped 28Si, even for sub-optimal sample geometry with potential improvement to < 103 spins/√Hz in more optimal scenarios.

提高电子自旋共振(ESR)的灵敏度是一个持续的挑战。一个潜在的策略包括增加频率,例如,从q波段(大约35 GHz)移动到w波段(大约94 GHz)。然而,这种转变通常会导致更高的传输和开关损耗,以及信号放大器中的噪声增加。在这项工作中,我们通过使用一个w波段探头集成了一个低温低噪声放大器(LNA)和一个微谐振器来解决这些缺点。这种配置允许我们将LNA放置在靠近谐振器的位置,从而以最小的损失放大获得的ESR信号。此外,当在低温下工作时,LNA表现出无与伦比的噪音水平,显著低于传统的室温LNA。我们详细介绍了新型探针头的设计,并提供了一些在室温和低温下对具有代表性的顺磁样品的实验结果。例如,我们发现磷掺杂的28Si样品的自旋灵敏度达到了~ 3 × 105自旋/√Hz,即使对于次优的样品几何形状,在更优的情况下也有可能提高到<; 103自旋/√Hz。
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引用次数: 0
Influence of Second-Order Effects due to Hyperfine Interaction on the Magnitude of the Larmor Frequency 14N 超精细相互作用二阶效应对拉莫尔频率14N量级的影响
IF 1.1 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2024-12-05 DOI: 10.1007/s00723-024-01733-0
G. V. Mamin, F. F. Murzakhanov, I. N. Gracheva, M. R. Gafurov, V. A. Soltamov

The negatively charged boron vacancy (({text{V}}_{text{B}}^{-})) in hexagonal boron nitride (hBN) is currently considered an intriguing quantum object for testing and developing quantum technologies on two-dimensional van der Waals materials. This article presents results from photoinduced electron spin echo (ESE)-detected electron spin resonance (ESR) and electron–nuclear double-resonance (ENDOR) spectroscopy at the W-band (ν = 94 GHz), focusing on the interactions of the ({text{V}}_{text{B}}^{-}) electron spin with the three nearest nitrogen nuclei (14N, I = 1). The lines in the ENDOR spectrum are due to both hyperfine and quadrupole interactions for MS = ± 1 levels and only quadrupole interactions for MS = 0 levels. We show that significant hyperfine interaction with the three nearest nitrogen atoms, despite the high magnetic field, results in a mixing of the hyperfine sublevels for MS = 0. We show that significant hyperfine interaction with the three nearest nitrogen atoms, despite the high magnetic field, results in mixing of the hyperfine sublevels. This mixing shifts the 14N Larmor frequency from its nominal value defined as ({{varvec{nu}}}_{{varvec{L}}}=boldsymbol{ }{{varvec{g}}}_{{varvec{N}}}{{varvec{mu}}}_{{varvec{N}}}{varvec{B}}/{varvec{h}}). This shift observed through ENDOR experiments can be understood using spin-Hamiltonian formalism within the second-order perturbation theory. These findings enhance an understanding of electron–nuclear interactions in hBN.

六方氮化硼(hBN)中带负电的硼空位(({text{V}}_{text{B}}^{-}))目前被认为是在二维范德华材料上测试和开发量子技术的一个有趣的量子对象。本文介绍了w波段(ν = 94 GHz)光诱导电子自旋回波(ESE)探测电子自旋共振(ESR)和电子-核双共振(ENDOR)光谱的结果,重点研究了({text{V}}_{text{B}}^{-})电子自旋与最近的三个氮核(14N, I = 1)的相互作用。ENDOR光谱中的谱线是由于MS =±1水平的超精细和四极相互作用,而MS = 0水平只有四极相互作用。我们表明,尽管有高磁场,但与最近的三个氮原子的显著超精细相互作用导致了MS = 0时超精细亚能级的混合。我们发现,尽管有高磁场,但与最近的三个氮原子的显著超精细相互作用导致了超精细亚能级的混合。这种混合使14N拉莫尔频率偏离其标称值({{varvec{nu}}}_{{varvec{L}}}=boldsymbol{ }{{varvec{g}}}_{{varvec{N}}}{{varvec{mu}}}_{{varvec{N}}}{varvec{B}}/{varvec{h}})。通过ENDOR实验观察到的这种位移可以用二阶微扰理论中的自旋哈密顿形式来理解。这些发现增强了对hBN中电子-核相互作用的理解。
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引用次数: 0
Automatic Skull Stripping Using Multidimensional Multi-input Multi-output U-Net Model for Alzheimer’s Disease 基于多维多输入多输出U-Net模型的老年痴呆症自动颅骨剥离
IF 1.1 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2024-12-04 DOI: 10.1007/s00723-024-01737-w
Priyanka Gautam, Manjeet Singh

Skull stripping is a fundamental step in analyzing magnetic resonance imaging (MRI) scans, which play a crucial role in disease diagnosis such as Alzheimer’s disease (AD). Alzheimer’s is a progressive neurological disorder with no known cure. Early and precise diagnosis of AD is essential for timely intervention to help slow its progression. Although manual brain segmentation from MRI is accurate, it requires expert knowledge, experience, and time investment. Therefore, many automated brain segmentation algorithms have been introduced so far. The U-Net model has recently gained significant attention due to its exceptional volumetric medical image segmentation performance. This study presents a novel multidimensional multi-input multi-output U-Net (MIMO-U-Net) model for more efficient brain extraction. The model is multidimensional because it works with both 2D and 3D datasets. This architecture uses a dropout regularization technique with varying dropout rates across different layers. The concatenation connections are also used to combine high-level features with up-sampled output. The dropout regularization and concatenation help in enhancing the model performance. A refined loss function is also proposed by combining Dice loss and categorical focal loss. The MIMO-U-Net is trained and tested using a T1-weighted ADNI brain MRI dataset. The results indicate that MIMO-U-Net surpasses most existing techniques by offering better accuracy and notable quantitative and qualitative outcomes. In addition, the MIMO-U-Net showcases substantial computational efficiency during execution. Evaluation metrics, comprising the Dice coefficient, specificity, and sensitivity, corroborate the model’s performance with precise scores of 0.992, 0.999, and 0.995, respectively.

颅骨剥离是分析磁共振成像(MRI)扫描的基本步骤,在阿尔茨海默病(AD)等疾病的诊断中起着至关重要的作用。阿尔茨海默氏症是一种进行性神经系统疾病,目前尚无治愈方法。阿尔茨海默病的早期和精确诊断对于及时干预以帮助减缓其进展至关重要。虽然从MRI中手动分割大脑是准确的,但需要专业知识、经验和时间投入。因此,到目前为止,已经引入了许多自动脑分割算法。U-Net模型最近因其卓越的体积医学图像分割性能而获得了极大的关注。本研究提出了一种新的多维多输入多输出U-Net (MIMO-U-Net)模型,以提高脑提取的效率。该模型是多维的,因为它同时适用于2D和3D数据集。该体系结构使用了一种drop - out正则化技术,在不同的层之间具有不同的drop - out率。串联连接也用于将高级特征与上采样输出相结合。dropout正则化和串接有助于提高模型性能。结合Dice loss和categorical focal loss,提出了一种改进的loss函数。MIMO-U-Net使用t1加权ADNI脑MRI数据集进行训练和测试。结果表明,MIMO-U-Net通过提供更好的准确性和显著的定量和定性结果,超越了大多数现有技术。此外,MIMO-U-Net在执行过程中展示了大量的计算效率。评估指标,包括Dice系数,特异性和敏感性,分别以0.992,0.999和0.995的精确分数证实了模型的性能。
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引用次数: 0
Preface to Special Issue Celebration of 80 Years of EPR Part 2 纪念环保工作80周年特刊前言第二部分
IF 1.1 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2024-12-03 DOI: 10.1007/s00723-024-01738-9
Kev M. Salikhov, Christiane R. Timmel, Eric J. L. McInnes, Gareth R. Eaton
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引用次数: 0
Weighted Majority Voting Ensemble for MRI-Based Brain Tumor Classification Using Capsule Networks and XGBoost 基于胶囊网络和XGBoost的mri脑肿瘤分类加权多数投票集合
IF 1.1 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2024-11-29 DOI: 10.1007/s00723-024-01731-2
D. Saravanan, G. Arunkumar, T. Ragupathi, P. B. V. Raja Rao

Brain Tumor (BT) is the most serious illness affecting humans, and its diagnosis is a complex process. Tumor location and type significantly affect treatment decisions, and survival rates improve with accurate identification and classification in the early stages. Magnetic Resonance Imaging (MRI) is mainly used for brain tumor analysis, but manual detection and classification by clinicians is challenging, often leading to high error rates, inaccurate diagnoses, and prolonged time requirements. To overcome these challenges, this paper introduces a novel hybrid classification approach that combines Capsule Networks (CapsNet) and XGBoost (XGB) to classify brain tumors from MRI images. The preprocessing step includes normalization, image blurring, resizing, contrast enhancement, and noise elimination, which are used to improve image quality. The classification process employs CapsNet to capture hierarchical features and spatial relationships in the images, while XGB utilizes extracted features, such as texture, intensity, and shape, to classify tumors effectively. To improve diagnostic accuracy, a Meta Ensemble Model combines the predictions of both algorithms using a Weighted Majority Voting approach, adjusting contributions based on each model’s confidence. Additionally, the Mantis Search Algorithm (MSA) is utilized for hyperparameter tuning, optimizing model performance by exploring the hyperparameter space effectively. The experiment assessed using the Brain Tumor MRI Dataset and Figshare Brain Tumor Dataset demonstrates the effectiveness of the proposed method, achieving an accuracy of 99.34% and a precision of 98.82%. These results indicate that the hybrid method is highly effective in accurately classifying various brain tumor types, which provides the best solution for clinical diagnostics.

脑肿瘤是影响人类最严重的疾病,其诊断是一个复杂的过程。肿瘤的位置和类型显著影响治疗决策,早期准确的识别和分类可以提高生存率。磁共振成像(MRI)主要用于脑肿瘤分析,但临床医生手工检测和分类是具有挑战性的,往往导致高错误率,不准确的诊断,并延长时间要求。为了克服这些挑战,本文介绍了一种结合胶囊网络(CapsNet)和XGBoost (XGB)的新型混合分类方法,用于从MRI图像中对脑肿瘤进行分类。预处理步骤包括归一化、图像模糊、调整大小、对比度增强和噪声消除,这些步骤用于提高图像质量。分类过程采用CapsNet捕获图像中的层次特征和空间关系,XGB利用提取的纹理、强度、形状等特征对肿瘤进行有效分类。为了提高诊断的准确性,Meta Ensemble模型使用加权多数投票方法将两种算法的预测结合起来,根据每个模型的置信度调整贡献。此外,利用螳螂搜索算法(MSA)进行超参数调优,通过有效地探索超参数空间来优化模型性能。使用脑肿瘤MRI数据集和Figshare脑肿瘤数据集进行的实验验证了该方法的有效性,准确率为99.34%,精密度为98.82%。结果表明,该混合方法对各种脑肿瘤类型的准确分类是非常有效的,为临床诊断提供了最佳解决方案。
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引用次数: 0
Structure and Mobility of the Lipid System in Mixtures of Ethylammonium Nitrate and Water: Magnetic Resonance Measurements and Molecular Dynamics Simulations 硝酸乙铵和水混合物中脂质系统的结构和迁移率:磁共振测量和分子动力学模拟
IF 1.1 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2024-11-29 DOI: 10.1007/s00723-024-01739-8
A. N. Sashina, A. R. Khakimzyanova, A. M. Khakimov, A. V. Filippov, A. V. Khaliullina

Ionic liquids (ILs) are salts which persist in liquid state near room temperature. They are characterized by high thermal and chemical resistance, good solubility, and high ionic conductivity. ILs can be used as permeability enhancers for transdermal delivery of drugs. The study of the interaction of ILs with lipids is important for understanding their potential toxicity to cells and the environment. In this work, we discuss features of the molecular structure and mobility of the aqueous system consisting of 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) and ethylammonium nitrate ionic liquid (EAN) mixtures studied by NMR and computer simulation MD methods. The 31P NMR line shape analysis revealed two lipid states in the systems: in D2O it is a lamellar liquid crystalline state associated with the formed vesicle-like structures of DMPC, while in EAN it is isotopic. The ratio of these states correlates with the ratio of solvents in the system. Based on the self-diffusion coefficients obtained by NMR, sizes of the diffusing particles were estimated. The method of MD showed that DMPC molecules assemble into micelles in the presence of water. In the mixtures of EAN and water the configuration of DMPC molecules changed. When DMPC interacts only with EAN, the micelle disintegrates. It is thus inferred that the presence of IL in the environment significantly affects the structure of the lipid system. The comparative analysis of the SDCs revealed a correlation between values obtained by MD and NMR methods.

离子液体是在室温下保持液态的盐。它们具有高的耐热性和耐化学性,良好的溶解度和高离子导电性。il可作为药物经皮给药的渗透性增强剂。研究白介素与脂质的相互作用对于了解其对细胞和环境的潜在毒性具有重要意义。本文采用核磁共振和计算机模拟MD方法研究了由1,2-二肉豆醇-锡-甘油-3-磷酸胆碱(DMPC)和硝酸乙胺离子液体(EAN)混合物组成的水体系的分子结构和迁移率特征。31P核磁共振谱线形状分析揭示了体系中的两种脂质状态:D2O为层状液晶状态,与DMPC形成的囊泡状结构有关;EAN为同位素。这些状态的比例与系统中溶剂的比例有关。根据核磁共振获得的自扩散系数,估计了扩散颗粒的大小。MD方法表明,DMPC分子在水的存在下聚集成胶束。在EAN和水的混合物中,DMPC分子的构型发生了变化。当DMPC仅与EAN相互作用时,胶束会分解。由此推断,环境中IL的存在会显著影响脂质系统的结构。对SDCs的比较分析揭示了MD和NMR方法得到的值之间的相关性。
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引用次数: 0
Evolution of Bruker EPR Spectrometers as well as Prospects for Present and Future EPR Applications 布鲁克EPR光谱仪的发展以及当前和未来EPR应用前景
IF 1.1 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2024-11-27 DOI: 10.1007/s00723-024-01734-z
Ralph T. Weber

EPR applications have evolved continuously with the development of the EPR technique. Since 1967, Bruker EPR is constantly developing its products to keep pace with these constantly changing demands. This article presents commercial EPR solutions in perspective of the past, present, and future.

随着EPR技术的发展,EPR的应用也在不断发展。自1967年以来,布鲁克EPR不断开发其产品,以跟上不断变化的需求。本文从过去、现在和未来的角度介绍了商业EPR解决方案。
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引用次数: 0
In Vivo Assessment of Cerebral Functional Changes in a Rat Model of Sepsis-Associated Encephalopathy Using Multi-Parametric MR Imaging 使用多参数磁共振成像在体内评估脓毒症相关脑病大鼠模型的脑功能变化
IF 1.1 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2024-11-22 DOI: 10.1007/s00723-024-01735-y
Donghoon Lee, Hwon Heo, Chul-Woong Woo, Yeon Ji Chae, Monica Young Choi, Joongkee Min, Dong-Cheol Woo, Do-Wan Lee

Sepsis-associated encephalopathy (SAE) results in widespread brain dysfunction due to systemic infection without direct central nervous system involvement. This study aimed to assess functional and metabolic alterations in a rat model of SAE using multi-parametric magnetic resonance imaging (mpMRI). Twenty-one rats were divided into control (CTRL, n = 7), SAE05 (5 mg/kg LPS, n = 7), and SAE10 (10 mg/kg LPS, n = 7) groups. MPI was performed 24 h post-LPS injection using a 7 T MR system to capture apparent diffusion coefficient (ADC), cerebral blood flow (CBF), T1, and T2 maps. In our study, the ADC and T1 values were significantly elevated in both the left and right hippocampi of the SAE05 and SAE10 groups compared to the CTRL group. However, the CBF and T2 values did not exhibit significant changes across the groups. This study utilized multi-parametric MRI to evaluate functional and metabolic changes in the brain associated with SAE. The results revealed significant increases in ADC and T1 values, indicating vasogenic edema and blood–brain barrier disruption in the hippocampus, which provide crucial insights for diagnosing and developing treatments for inflammatory brain diseases.

脓毒症相关脑病(SAE)由于全身性感染导致广泛的脑功能障碍,而不直接累及中枢神经系统。本研究旨在利用多参数磁共振成像(mpMRI)评估SAE大鼠模型的功能和代谢变化。将21只大鼠分为对照组(CTRL, n = 7)、SAE05组(5 mg/kg LPS, n = 7)和SAE10组(10 mg/kg LPS, n = 7)。lps注射24小时后,使用7 T MR系统进行MPI,以捕获表观扩散系数(ADC)、脑血流量(CBF)、T1和T2图。在我们的研究中,与CTRL组相比,SAE05和SAE10组左海马区和右海马区ADC和T1值均显著升高。然而,CBF和T2值在各组间没有明显变化。本研究利用多参数MRI评估与SAE相关的脑功能和代谢变化。结果显示ADC和T1值显著升高,表明海马血管源性水肿和血脑屏障破坏,这为炎症性脑疾病的诊断和治疗提供了重要见解。
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引用次数: 0
Autobiography 自传
IF 1.1 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2024-11-16 DOI: 10.1007/s00723-024-01705-4
Carlo Corvaja
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引用次数: 0
Performance Comparison of Different Rapid Freeze–Quench Strategies for Electron Paramagnetic Resonance 电子顺磁共振不同快速冻灭策略的性能比较
IF 1.1 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2024-11-15 DOI: 10.1007/s00723-024-01725-0
Maruan Bracci, Ilenia Serra, Inés García-Rubio, Sabine Van Doorslaer

This work addresses the development of a custom-made home-built rapid freeze–quench (RFQ) device and the comparison of its performance to the one of a commercial RFQ setup that was in-house custom adapted. Both systems consist of two syringes that push the reactants into a mixing chamber and the products to a subsequent freezing setup. Using the binding of azide to myoglobin as a calibration reaction, the quenching times of the different setups were compared, evaluating different instrumental parameters, such as software-controlled variation of the aging time, variations of the flow rate and variations of the distance travelled by the mixed sample before freezing. In addition to minimal sample consumption, the home-built RFQ device was found to lead to the shorter reaction times which could be controlled in a time range from 10 to 25 ms. The commercial RFQ system yielded optimal reaction control in a time range from 50 to 200 ms, although a larger volume of reactants needed to be used due to the significant dead volume of the system. Three different freezing methods were also evaluated, among which, in our hands, freezing the jet directly in a deep bath of cold isopentane yielded shorter and reproducible freezing times.

这项工作解决了定制的家用快速冻灭(RFQ)设备的开发,并将其性能与内部定制的商业RFQ设置之一进行了比较。两个系统都由两个注射器组成,将反应物推入混合室,将产物推入随后的冷冻装置。利用叠氮化物与肌红蛋白的结合作为校准反应,比较了不同装置的淬火时间,评估了不同的仪器参数,如软件控制的老化时间变化、流速变化和混合样品在冷冻前移动距离的变化。除了最小的样品消耗,自制RFQ装置被发现导致更短的反应时间,可以控制在10到25毫秒的时间范围内。商用RFQ系统在50到200毫秒的时间内产生了最佳的反应控制,尽管由于系统的大量死体积需要使用更大的反应物。我们还评估了三种不同的冷冻方法,其中,在我们手中,直接在冷异戊烷的深浴中冷冻射流可以获得更短且可重复的冷冻时间。
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引用次数: 0
期刊
Applied Magnetic Resonance
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