A NIST facility for resonant soft x-ray scattering measuring nano-scale soft matter structure at NSLS-II
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99 GENERAL AND MISCELLANEOUS↗
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Results for “resonance structures”
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Coherent Magnon–Photon Coupling in the Magnetic Semiconductor CrSBr
Magnon-based hybrid quantum systems are promising candidates for quantum interconnects and quantum sensors, and they offer a rich platform for exploring nonlinear magnonics and cavity–photon interactions. Two-dimensional (2D) van der Waals magnets provide a compact, atomically flat geometry that can be easily integrated into existing quantum circuits, such as superconducting resonators and qubits. Among various 2D magnets, the magnetic semiconductor CrSBr is particularly unique due to its strong spin–exciton, spin–lattice, and magnon–exciton interactions. In this work, we demonstrate coherent coupling between antiferromagnetic (AFM) magnons in CrSBr and microwave photons in a niobium-(Nb)-based-on-chip resonator. We tuned the magnon–photon coupling strength by changing the number of CrSBr flakes integrated into the Nb microwave photon resonators. Furthermore, this work demonstrates the first step toward integrating layered van der Waals 2D magnets into superconducting microwave circuits, with full access for microwave and optical probing.
Electromagnetic radiation↗
Hybrid Plasmonic Coupled‐Mode Metasurface Design for Shot‐Noise Limited Ppb‐Level Hydrogen Detection
Plasmonic hydrogen sensors have enabled hydrogen detection below parts-per-million (ppm) range by boosting the sensitivity using localized surface plasmonic resonant (LSPR) structures. However, the intrinsic optical losses of Palladium (Pd), the primary plasmonic metal used for hydrogen detection, result in a low quality (Q) factor LSPR, which fundamentally hinders further improvement. In this work, a hybrid plasmonic metasurface is proposed that couples Pd-based LSPR structure with an Au film supporting surface plasmon polariton mode (Au-SPP). The coupled near-perfect absorber resonance yields a spectrally narrow, high Q response that retains strong sensitivity to hydrogen while improving resonance localization. Numerical analysis shows that, under shot-noise-limited conditions, the limit of detection (LoD) can be improved by over threefold compared to the state-of-the-art designs. Furthermore, this hybrid plasmonic coupled-mode metasurface thus presents a promising pathway to achieve parts-per-billion-level (ppb-level) hydrogen detection with enhanced spectral precision and robustness.
coupled modes↗
Altered cortical thickness-based structural covariance networks in type 2 diabetes mellitus
Cognitive impairment is a common complication of type 2 diabetes mellitus (T2DM), and early cognitive dysfunction may be associated with abnormal changes in the cerebral cortex. This retrospective study aimed to investigate the cortical thickness-based structural topological network changes in T2DM patients without mild cognitive impairment (MCI). Fifty-six T2DM patients and 59 healthy controls underwent neuropsychological assessments and sagittal 3-dimensional T1-weighted structural magnetic resonance imaging. Then, we combined cortical thickness-based assessments with graph theoretical analysis to explore the abnormalities in structural covariance networks in T2DM patients. Correlation analyses were performed to investigate the relationship between the altered topological parameters and cognitive/clinical variables. T2DM patients exhibited significantly lower clustering coefficient (C) and local efficiency (Elocal) values and showed nodal property disorders in the occipital cortical, inferior temporal, and inferior frontal regions, the precuneus, and the precentral and insular gyri. Moreover, the structural topological network changes in multiple nodes were correlated with the findings of neuropsychological tests in T2DM patients. Thus, while T2DM patients without MCI showed a relatively normal global network, the local topological organization of the structural network was disordered. Moreover, the impaired ventral visual pathway may be involved in the neural mechanism of visual cognitive impairment in T2DM patients. This study enriched the characteristics of gray matter structure changes in early cognitive dysfunction in T2DM patients.
Huang, Yang↗
Effect of 3d/4p Mixing on 1s2p Resonant Inelastic X-ray Scattering: Electronic Structure of Oxo-Bridged Iron Dimers
1s2p resonant inelastic X-ray scattering (1s2p RIXS) has proven successful in the determination of the differential orbital covalency (DOC, the amount of metal vs ligand character in each d molecular orbital) of highly covalent centrosymmetric iron environments including heme models and enzymes. However, many reactive intermediates have noncentrosymmetric environments, e.g., the presence of strong metal-oxo bonds, which results in the mixing of metal 4p character into the 3d orbitals. This leads to significant intensity enhancement in the metal K-pre-edge and as shown here, the associated 1s2p RIXS features, which impact their insight into electronic structure. Binuclear oxo bridged high spin Fe(III) complexes are used to determine the effects of 4p mixing on 1s2p RIXS spectra. In addition to developing the analysis of 4p mixing on K-edge XAS and 1s2p RIXS data, this study explains the selective nature of the 4p mixing that also enhances the analysis of L-edge XAS intensity in terms of DOC. These 1s2p RIXS biferric model studies enable new structural insight from related data on peroxo bridged biferric enzyme intermediates. The dimeric nature of the oxo bridged Fe(III) complexes further results in ligand-to-ligand interactions between the Fe(III) sites and angle dependent features just above the pre-edge that reflect the superexchange pathway of the oxo bridge. Lastly, we present a methodology that enables DOC to be obtained when L-edge XAS is inaccessible and only 1s2p RIXS experiments can be performed as in many metalloenzyme intermediates in solution.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Electronic Structures of Iron in Oxide Glasses via 1s3p Resonant Inelastic X-ray Scattering
Electronic structures of iron in glasses are essential for unraveling the effect of transition metals on amorphous networks and controlling the electro-optical and transport properties of advanced glasses and amorphous energy-storing materials. The electronic configurations around iron in glasses, however, remain not well understood due to the structural disorders arising from multiple iron species with distinct valence, coordination, and spin states. Here, the first 1s3p resonant inelastic X-ray scattering (RIXS) for oxide glasses identifies hidden electronic configurations for Fe 2+ and Fe 3+ in amorphous networks. The results allow us to quantify the composition-induced evolution of oxygen ligand–field interactions of high-spin Fe 3d states with varying valence and coordination environments in complex glasses. The distinct electronic structures account for the electronic origins of iron-induced changes in the glass properties. The results offer prospects for a simultaneous probing of valence, coordination, and spin states of transition metals in diverse multicomponent oxide glasses and functional amorphous solids via 1s3p RIXS.
Kim, Yong-Hyun [Seoul National Univ. (Korea, Repub↗
Measurement of R = σ L / σ T and the separated longitudinal and transverse structure functions in the nucleon-resonance region
Here we report on a detailed study of longitudinal strength in the nucleon resonance region, presenting new results from inclusive electron-proton cross sections measured at Jefferson Lab Hall C in the four-momentum transfer range 0.2 < Q 2 < 5.5 GeV 2 . The data have been used to accurately perform over 170 Rosenbluth-type longitudinal/transverse separations. The precision R = $\sigma_{L} /\sigma _{T}$ data are presented here, along with the first separate values of the inelastic structure functions F 1 and F L in this regime. The resonance longitudinal component is found to be significant. With the new data, quark-hadron duality is observed above Q 2 = 1 GeV 2 in the separated structure functions independently.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Magnetic dipole emission in resonant metal-dielectric-metal structures
We explore a possibility to control magnetic dipole emission with plasmonic cavities, placing Eu 3+ emitters inside profile-modulated metal-dielectric-metal structures. Significant variations in the branching ratio of the magnetic and electric dipole transitions are observed as the function of the thickness of the intermediate layer. The experimental results are confirmed with numerical simulations which account for cavity and gap plasmon resonances and predict modifications in the spontaneous emission spectrum as the function of the gap size and a strong directionality of the emission for small thicknesses of the intermediate layer. The implications of having a competition between electric and magnetic dipole relaxation channels in Eu 3+ are discussed.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Advancing Sodium-Ion Battery Cathodes: A Low-Cost, Eco-Friendly Mechanofusion Route from TiO 2 Coating to Ti 4+ Doping
Layered oxide battery cathodes often require extra stabilization strategies, such as surface coating or doping, to mitigate side reactions and enhance longevity. Conventional methods such as aqueous deposition and atomic layer deposition are costly and environmentally unfriendly and even damage the original structure, especially for air-sensitive sodium-ion battery (SIB) cathodes. Herein, we introduce an all-dry mechanofusion technique that modifies hydroxide precursors with TiO 2 coating before sintering with a sodium source. Using advanced characterizations including X-ray diffraction, neutron diffraction, and solid-state nuclear magnetic resonance for structural insights, X-ray absorption spectroscopy to study metal valence states, and transmission X-ray microscopy for nanoscale visualization of nickel oxidation states, we verified that postsintering transforms TiO 2 surface coating into Ti doping, leading to improved Ni-oxidation homogeneity, modified charge compensation, and enhanced thermal stability. Electrochemical tests reveal superior performance in capacity retention, rate capability, and air stability for these modified cathodes, with pouch cells maintaining over 85% capacity after 650 cycles. This method presents a sustainable, cost-effective route for advanced SIB cathode development.
36 MATERIALS SCIENCE↗
Spin-filter tunneling detection of antiferromagnetic resonance with electrically tunable damping
Antiferromagnetic spintronics offers the potential for higher-frequency operations and improved insensitivity to magnetic fields compared to ferromagnetic spintronics. However, previous electrical techniques to detect antiferromagnetic dynamics have utilized large, millimeter-scale bulk crystals. In this work, we demonstrate direct electrical detection of antiferromagnetic resonance in structures on the few-micrometer scale using spin-filter tunneling in platinum ditelluride (PtTe 2 )/bilayer chromium sulfide bromide (CrSBr)/graphite junctions in which the tunnel barrier is the van der Waals antiferromagnet CrSBr. This sample geometry allows not only efficient detection but also electrical control of the antiferromagnetic resonance through spin-orbit torque from the PtTe 2 electrode. The ability to efficiently detect and control antiferromagnetic resonance enables detailed studies of the physics governing these high-frequency dynamics.
Cham, Thow Min Jerald [Cornell University, Ithaca,↗
Beyond the Global Brain Differences: Intraindividual Variability Differences in 1q21.1 Distal and 15q11.2 BP1-BP2 Deletion Carriers
Carriers of the 1q21.1 distal and 15q11.2 BP1-BP2 copy number variants exhibit regional and global brain differences compared with noncarriers. However, interpreting regional differences is challenging if a global difference drives the regional brain differences. Intraindividual variability measures can be used to test for regional differences beyond global differences in brain structure. Magnetic resonance imaging data were used to obtain regional brain values for 1q21.1 distal deletion (n = 30) and duplication (n = 27) and 15q11.2 BP1-BP2 deletion (n = 170) and duplication (n = 243) carriers and matched noncarriers (n = 2350). Regional intra-deviation scores, i.e., the standardized difference between an individual’s regional difference and global difference, were used to test for regional differences that diverge from the global difference. For the 1q21.1 distal deletion carriers, cortical surface area for regions in the medial visual cortex, posterior cingulate, and temporal pole differed less and regions in the prefrontal and superior temporal cortex differed more than the global difference in cortical surface area. For the 15q11.2 BP1-BP2 deletion carriers, cortical thickness in regions in the medial visual cortex, auditory cortex, and temporal pole differed less and the prefrontal and somatosensory cortex differed more than the global difference in cortical thickness. We find evidence for regional effects beyond differences in global brain measures in 1q21.1 distal and 15q11.2 BP1-BP2 copy number variants. The results provide new insight into brain profiling of the 1q21.1 distal and 15q11.2 BP1-BP2 copy number variants, with the potential to increase understanding of the mechanisms involved in altered neurodevelopment.
15q11.2 BP1-BP2↗
Role of backbone strain in de novo design of complex α/β protein structures
Abstract We previously elucidated principles for designing ideal proteins with completely consistent local and non-local interactions which have enabled the design of a wide range of new αβ-proteins with four or fewer β-strands. The principles relate local backbone structures to supersecondary-structure packing arrangements of α-helices and β-strands. Here, we test the generality of the principles by employing them to design larger proteins with five- and six- stranded β-sheets flanked by α-helices. The initial designs were monomeric in solution with high thermal stability, and the nuclear magnetic resonance (NMR) structure of one was close to the design model, but for two others the order of strands in the β-sheet was swapped. Investigation into the origins of this strand swapping suggested that the global structures of the design models were more strained than the NMR structures. We incorporated explicit consideration of global backbone strain into the design methodology, and succeeded in designing proteins with the intended unswapped strand arrangements. These results illustrate the value of experimental structure determination in guiding improvement of de novo design, and the importance of consistency between local, supersecondary, and global tertiary interactions in determining protein topology. The augmented set of principles should inform the design of larger functional proteins.
59 BASIC BIOLOGICAL SCIENCES↗
Resonant contributions to polarized proton structure functions
Not Available
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Tau accumulation and atrophy predict amyloid independent cognitive decline in aging
INTRODUCTION: Amyloid beta (Aβ) and tau pathology are cross-sectionally associated with atrophy and cognitive decline in aging and Alzheimer's disease (AD). METHODS: We investigated relationships between concurrent longitudinal measures of Aβ (Pittsburgh compound B [PiB] positron emission tomography [PET]), tau (flortaucipir [FTP] PET), atrophy (structural magnetic resonance imaging), episodic memory (EM), and non-memory (NM) in 78 cognitively healthy older adults (OA). RESULTS: Entorhinal FTP change was correlated with EM decline regardless of Aβ, but meta-temporal FTP and global PiB change were only associated with EM and NM decline in Aβ+ OA. Voxel-wise analyses revealed significant associations between temporal lobe FTP change and EM decline in all groups. PiB and FTP change were not associated with structural change, suggesting a functional or microstructural mechanism linking these measures to cognitive decline. DISCUSSION: Our results show that longitudinal Aβ is linked to cognitive decline only in the presence of elevated Aβ, but longitudinal temporal lobe tau is associated with memory decline regardless of Aβ status.
60 APPLIED LIFE SCIENCES↗
Cognitive aging outcomes are related to both tau pathology and maintenance of cingulate cortex structure
Abstract INTRODUCTION Successful cognitive aging is related to both maintaining brain structure and avoiding Alzheimer's disease (AD) pathology, but how these factors interplay is unclear. METHODS A total of 109 cognitively normal older adults (70+ years old) underwent amyloid beta (Aβ) and tau positron emission tomography (PET) imaging, structural magnetic resonance imaging (MRI), and cognitive testing. Cognitive aging was quantified using the cognitive age gap (CAG), subtracting chronological age from predicted cognitive age. RESULTS Lower CAG (younger cognitive age) was related to slower decline in episodic memory, multi‐domain cognition, and atrophy of the midcingulate cortex (MCC). Lower entorhinal cortical tau was linked to slower decline in episodic memory, multi‐domain cognition, and hippocampal atrophy. DISCUSSION These results suggest that aging outcomes may be influenced by two independent pathways: one associated with tau accumulation, affecting primarily memory and hippocampal atrophy, and another involving tau‐independent structural preservation of the MCC, benefiting multi‐domain cognition over time. Highlights Younger cognitive age (lower cognitive age gap [CAG]) is related to slower cognitive decline. Lower CAG is linked to slower midcingulate cortex (MCC) atrophy. Reduced tau in the entorhinal cortex is related to less hippocampal atrophy and cognitive decline. Structural preservation of the MCC benefits multi‐domain cognition over time. Two independent pathways influence cognitive aging: tau accumulation and MCC preservation.
Neurosciences & Neurology↗
Accessing the Single-Particle Structure of the Pygmy Dipole Resonance in 208 Pb
New experimental data on the neutron single-particle character of the Pygmy Dipole Resonance (PDR) in Pb 208 are presented. They were obtained from ( d , p ) and resonant proton scattering experiments performed at the Q3D spectrograph of the Maier-Leibnitz Laboratory in Garching, Germany. The new data are compared to the large suite of complementary, experimental data available for Pb 208 and establish ( d , p ) as an additional, valuable, experimental probe to study the PDR and its collectivity. Furthermore, besides the single-particle character of the states, different features of the strength distributions are discussed and compared to large-scale shell model (LSSM) and energy-density functional plus quasiparticle-phonon model theoretical approaches to elucidate the microscopic structure of the PDR in Pb 208 .
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Metacognition, cortical thickness, and tauopathy in aging
We investigated self-rating of cognitive task performance (self-appraisal) and the difference between self-rating and actual task performance (appraisal discrepancy) in cognitively healthy older adults and their relationship with cortical thickness and Alzheimer's disease (AD) biomarkers, amyloid and tau. All participants (N = 151) underwent neuropsychological testing and 1.5T structural magnetic resonance imaging. A subset (N = 66) received amyloid-PET with [11C] PiB and tau-PET with [18F] Flortaucipir. We found that worse performers had lower self-appraisal ratings, but still overestimated their performance, consistent with the Dunning-Kruger effect. Self-appraisal rating and appraisal discrepancy revealed distinct relationships with cortical thickness and AD pathology. Greater appraisal discrepancy, indicating overestimation, was related to thinning of inferior-lateral temporal, fusiform, and rostral anterior cingulate cortices. Lower self-appraisal was associated with higher entorhinal and inferior temporal tau. These results suggest that overestimation could implicate structural atrophy beyond AD pathology, while lower self-appraisal could indicate early behavioral alteration due to AD pathology, supporting the notion of subjective cognitive decline prior to objective deficits.
59 BASIC BIOLOGICAL SCIENCES↗
Curing the Divergence in Time-Dependent Density Functional Quadratic Response Theory
While time-dependent density functional theory has emerged as a method of choice for computing electronic spectra and response of molecules and materials, its reliability is hindered by the adiabatic approximation that is commonly made. In this work, we address one problematic aspect that arises from this approximation: an incorrect pole structure in the quadratic response function, leading to unphysical divergences in excited state-to-state transition probabilities and hyperpolarizabilties. We find the form of the exact quadratic response kernel and derive a practical and accurate approximation that cures the divergence. Here, we demonstrate our results on excited state-to-state transition probabilities of a model system and of the LiH molecule.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗