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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Kinetic and structural evidence for specific DMSO interference with reversible binding of uncharged bis-oximes to hAChE and their reactivation kinetics of OP-hAChE

The structural basis of inhibitory effect of organic solvent dimethyl sulfoxide (DMSO) on human acetylcholinesterase (EC 3.1.1.7; hAChE) was inferred from the effect of DMSO on kinetics of reversible inhibition of uncharged, heterocyclic bis-oximes to hAChE, from DMSO effect on rates of reactivation of inactive organophosphate (OP)-hAChE conjugates by bis-oximes and by X-ray structures of bis-oxime and DMSO binding to hAChE. Here, the reversible inhibition constant of DMSO for hAChE in 0.1 M phosphate buffer pH 7.4 at 22 °C, was K i = (0.32 ± 0.04) % (or 45 ± 5 mM). The K i of the bis-oxime LG-703 for hAChE was 3.2-fold larger in 1 % DMSO, consistent with direct competition between LG-703 and DMSO. The X-ray structure of the LG-703∗hAChE complex (PDB ID: 6U3P) shows DMSO and LG-703 bound to individual hAChE monomers, LG-703 in the chain A and DMSO in the chain B. In the co-crystallization both small molecules were present at a similar excess over their corresponding K i values for hAChE (7.8-fold for DMSO and 6.5-fold for LG-703) and formation of two different complexes (DMSO∗hAChE and LG-703∗hAChE), in the same crystal, appears consistent with inhibition kinetics. Furthermore, rates of reactivation of paraoxon-inhibited hAChE (POX-hAChE) and of VX-hAChE by LG-703 and by a novel heterocyclic bis-oxime LG-1922 were reduced 2 – 3-fold in DMSO, consistent with observation of the active-center-bound DMSO molecules in the newly solved structure of the LG-1922∗POX-hAChE complex presented here and in our POX-hAChE structure (PDB ID: 8DT2) showing obstruction of the reactivator access to the conjugated P atom.

Acetylcholinesterase inhibition↗
DOE OSTI2026

Pu(IV) quantification via visible–near-infrared absorption spectroscopy: tackling interferences using D-optimal design and partial least squares

Here, this study presents a novel analytical approach for quantifying Pu(IV) in glove box environments using fiber-optic-based visible–near-infrared absorption spectroscopy in combination with partial least squares regression (PLSR) and design of experiments. The method addresses significant challenges posed by overlapping spectral features arising from Nd(III), which is a common fission product impurity, and the speciation variability of Pu(IV) nitrato complexes in HNO 3 concentrations ranging from 2.5 to 11 M. A curated training set consisting of data from 20 samples was developed via D-optimal design to enable robust PLSR model calibration for Pu(IV) using the near-infrared band near 1050 nm. The training set was acquired from samples in cuvettes with a 1-cm path length and was used to build the PLSR model. The robustness of the model was validated with data collected using a dip probe with a 1-cm path length and varying Pu(IV) concentrations. The strong performance of the model indicates good model transfer from cuvette to dip probe and highlights the potential for in situ measurements and online monitoring of reactions in a crystallization reactor vessel. The results demonstrate that this combined spectroscopic and chemometric approach can accurately and simultaneously quantify Pu(IV) and HNO 3 , thereby offering a promising tool for real-time monitoring in process environments.

Actinide↗
DOE OSTI2025

Mitigating humidity interference in chemiresistive hydrogen sensors through hydrophobic surface functionalization

Chemiresistive gas sensors based on semiconductor metal oxides, such as tin dioxide (SnO₂), are indispensable for detecting and monitoring toxic gases and pollutants, making them critical components in industrial and environmental applications. To enhance their performance, the metal oxides are loaded with noble metals such as palladium (Pd). However, ambient humidity poses a significant challenge to their performance. The presence of adsorbed water molecules on the oxide surface can considerably impair sensor sensitivity and overall performance. To address this issue, in this paper, we report on the application of an ultrathin, hydrophobic layer of hexamethyldisilazane to the surface of a Pd/SnO 2 sensor. This study investigates the influence of hydrophobic surface modifications on the metal oxide interface, focusing on their impact on sensor sensitivity and selectivity. The resulting sensor exhibits superior hydrogen sensing capabilities, operating effectively at low temperatures even in high humidity environments. Furthermore, the hydrophobic modification reduces the sensor’s susceptibility to interfering gases, thus enhancing its selectivity. The combined enhancements in moisture resistance and selectivity achieved through HMDS surface modification, along with the superior sensitivity of Pd/SnO₂ sensors, facilitate the development of gas sensors with enhanced humidity tolerance and broader applications.

Chemiresistive gas sensors↗
DOE OSTI2026

Optical interference for the guidance of cryogenic focused ion beam milling beyond the axial diffraction limit

Cryogenic focused ion beam (Cryo-FIB) milling has become a standard step in the cryogenic electron tomography (Cryo-ET) workflow and is required to thin cells to electron-semitransparency. However, this destructive process removes the vast majority of the cellular material and raises a critical question: what thin section should be preserved for Cryo-ET analysis? Using a tri-coincident cryogenic FIB-SEM-LM system, we identify an interferometric optical response that can be used for targeting lamella production to fluorescently labeled structures with accuracy beyond the diffraction limit. Here we demonstrate this approach using synthetic samples of fluorescent beads embedded in micron-scale droplets of amorphous ice. We then apply the approach to capture virions inside host cells. Successful targeting is confirmed by Cryo-ET revealing clusters of virions in intracellular vesicles. The method does not require any fluorescent fiducials or axial registration and can be performed on any fluorescently labeled structure that is visible in widefield fluorescence microscopy.

Cryoelectron microscopy↗
DOE OSTI2025

Many-body interference in kagome crystals

When electrons in metals act collectively, they enable emergent phenomena and electronic functionalities that transcend the behaviour of individual particles. Coherent collective charge motion has so far been observed primarily in superconductors, in which it arises with the formation of Cooper pairs. Here we report experimental evidence for coherent charge transport in the normal state of the kagome metal CsV 3 Sb 5 , indicative of a distinct collective electronic state. The signature is a set of magnetoresistance oscillations in mesoscopic crystalline pillars under in-plane magnetic fields, with a periodicity determined by the number of magnetic flux quanta h/e threading between adjacent kagome layers—effectively forming an interlayer Aharonov–Bohm interferometer. The cooperative nature of this phenomenon is evidenced by a non-analytic angular dependence characterized by abrupt transitions between discrete oscillation frequencies and its persistence over length scales that exceed the single-particle mean free path. Notably, the oscillation amplitude matches other anomalous electronic responses reported in CsV 3 Sb 5 , pointing to an underlying mechanism that establishes intrinsic coherence. These findings shed new light on the debated nature of correlated order in kagome metals and establish CsV 3 Sb 5 as a platform for realizing long-range coherent charge transport in the absence of superconductivity—opening new directions for coherence in correlated electron systems beyond conventional models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Carrier-envelope-phase characterization of ultrafast mid-infrared laser pulses through harmonic generation and interference in argon

The propagation of an intense, femtosecond, mid-infrared laser pulse in a gaseous medium results in the efficient generation of spectrally overlapping low-order harmonics, whose optical carrier phases are linked to the carrier-envelope phase (CEP) of the mid-infrared driver pulse. Random peak-power fluctuations of the driver pulses, converted to the fluctuations of the nonlinear phases, acquired by the pulses on propagation, cause this phase correlation to smear out. We show that this seemingly irreversible loss of phase can be recovered, and that the complete information needed for the phase correction is contained in the harmonic spectra itself. The optical phases of the intense driver pulse and its harmonics, as fragile as they appear to be against even weak disturbances, evolve deterministically during highly nonlinear propagation through the extended ionization region.

nonlinear optics↗
DOE OSTI2025

Optical Interference for the Guidance of Cryogenic Focused Ion Beam Milling Beyond the Axial Diffraction Limit

Using a tri-coincident cryogenic FIB-SEM-LM system, we identify an interferometric optical response that can be used for targeting lamella production to fluorescently labelled structures with accuracy beyond the diffraction limit. We demonstrate the approach using synthetic samples of fluorescent beads embedded in micron-scale droplets of water. Here, we then apply the approach to capture virions inside host cells. Successful targeting is confirmed by cryogenic electron tomography revealing clusters of virions in intracellular vesicles.

Sica, Anthony V. [SLAC National Accelerator Labora↗
DOE OSTI2024

Reevaluation of XPS Pt 4f peak fitting: Ti 3s plasmon peak interference and Pt metallic peak asymmetry in Pt@TiO2 system

The structural, electronic, and electrochemical properties of noble metals supported on transition metal oxides, such as Pt nanoparticles (NPs) supported on TiO2 (Pt@TiO2), have been extensively studied for their relevance to energy technologies, including photocatalysis, electrocatalysis, and electrochemical energy conversion. As the need to lower the amount of Pt and other noble metals used in energy conversion systems becomes urgent, it is essential to accurately quantify the loading of these metals and electronic density redistribution between them and their supports. X-ray photoelectron spectroscopy (XPS) is widely used for the identification and quantification of chemical species. In particular, fitting of the Pt 4f spectra for Pt@TiO2 is frequently performed to determine the chemical environment and oxidation state of Pt, which strongly affect the physical behavior and catalytic performance of this system. Here, we show that neglecting contributions due to the Pt surroundings and the asymmetry of the Pt metal peak in the line shape fitting can lead to severe mischaracterization of the oxidation state of Pt. We quantify the effects of background contributions that stem from the TiO2 support and discuss how factoring in the strong asymmetry of Pt 4f doublets, which stems from the shake-up type processes, affects the interpretation of Pt 4f XPS line shape.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Discovery of an unconventional quantum echo by interference of Higgs coherence

Detecting photon echoes from superconducting Higgs modes is challenging due to the necessity of preserving and retrieving phase coherence encoded in multiple Higgs and quasiparticle (QP) excitations. Here, we demonstrate the emergence of a Higgs echo in niobium superconductors. This approach disentangles unique quantum pathways involving the Higgs mode and QP excitations. Using Higgs echo spectroscopy, we also uncover unconventional echo formation caused by inhomogeneous broadening and “soft” QP bands, which dynamically evolve under terahertz (THz) driving. Specifically, THz pulse pairs modulate the superconducting gap, imprinting coherence and forming a temporal “Higgs grating.” This grating produces echoes with distinctive characteristics: (i) echo rephasing spectral peaks at superconducting gap frequencies, (ii) asymmetric echo formation delays unlike those observed in atoms or semiconductors, and (iii) negative-time echo signals stemming from Higgs-QP anharmonic interactions. Combined with advanced time-frequency analysis, these findings distinguish Higgs from QP responses and clarify their intricate interactions in THz-driven superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Pharmacologic or genetic interference with atrogene signaling protects against glucocorticoid-induced musculoskeletal and cardiac disease

Despite their beneficial actions as immunosuppressants, glucocorticoids (GC) have devastating effects on the musculoskeletal and cardiac systems, as long-term treated patients exhibit high incidence of falls, bone fractures, and cardiovascular events. Herein, we show that GC upregulate simultaneously in bone, skeletal muscle, and the heart the expression of E3 ubiquitin ligases (atrogenes), known to stimulate the proteasomal degradation of proteins. Activation of vitamin D receptor (VDR) signaling with the VDR ligands calcitriol or eldecalcitol prevented GC-induced atrogene upregulation in vivo and ex vivo in bone/muscle organ cultures and preserved tissue structure/mass and function of the 3 tissues in vivo. Direct pharmacologic inhibition of the proteasome with carfilzomib also conferred musculoskeletal protection. Genetic loss of the atrogene MuRF1-mediated protein ubiquitination in ΔRING mice afforded temporary or sustained protection from GC excess in bone or skeletal and heart muscle. We concluded that the atrogene pathway downstream of MuRF1 underlies GC action in bone, muscle, and the heart, and it can be pharmacologically or genetically targeted to confer protection against the damaging actions of GC simultaneously in the 3 tissues.

Research & Experimental Medicine↗
DOE OSTI2024

Modeling Competing Line-broadening Mechanisms in Neutron Star Atmospheres: Interference between Motional Stark and Ion Broadening

Neutron star surfaces have extremely high magnetic fields. In the atmosphere, the broadening of spectral lines will be substantial from the dense plasma as well as from the magnetic field. One broadening mechanism of note is due to the motional Stark effect (MSE)—an additional electric field that arises from the motion of the atom in the magnetic field. However, approximate formulae are often used to construct atmosphere models, and the MSE is assumed to be the dominant line-broadening mechanism even in ions. Detailed pressure-broadening models in these extreme magnetic fields are now currently being developed. In these more detailed models, it was suggested that the MSE may not be as large as previously predicted. If correct, this hypothesis implies that neutron star line widths might be dominated by pressure broadening rather than by motional Stark broadening. We find that, in the absence of plasma perturbations, for typical magnetic fields (B = 10 12 G), mid-Z elements, such as oxygen, have motional Stark widths of order 1 eV for transitions between dipole-allowed transitions from the ground state, though higher temperatures and transitions to higher-energy states are expected to have more broadening. The MSE also breaks down selection rules, giving rise to forbidden transitions, which have much larger widths. When plasma perturbations are included, we find that the plasma perturbation and motional Stark processes are not independent and, as a result, the spectral lines become narrow in a nontrivial way and display harmonics of the ion cyclotron frequency.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Accurate Dark Energy Constraints via the Precise Characterization of Galaxy Intrinsic Alignment Coupled with Shear and Redshift Interference

One of the most fundamental mysteries we face in physics is understanding what the nature of the dark energy component of our Universe is that causes the accelerated expansion of space. A powerful way to study dark energy is via weak gravitational lensing due to large-scale structure in the Universe, which we observe as tiny distortions in the shapes of very distant galaxies due to the bending of light by foreground mass. The Dark Energy Survey (DES) and Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST) were designed to enable unprecedented measurements of these distortions in the shapes of galaxies to study dark energy. The intrinsic shapes of galaxies before they are distorted by weak gravitational lensing can cancel out some of the effects of lensing to obscure or bias what we infer about the nature of dark energy. This research program has led to improved image-level simulations of the Rubin Observatory LSST data. These simulations have made it possible to characterize for the first time the cosmic impact of these intrinsic shapes on biasing weak gravitational lensing calibration. This work will inform crucial improvements in methodology for studying dark energy with weak gravitational lensing at the precision promised by the the Rubin Observatory LSST over the next decade to ensure we are able to infer unbiased information about the nature of dark energy.

79 ASTRONOMY AND ASTROPHYSICS↗