Kinetics and Retention of Polystyrenesulfonate for Proteoglycan Replacement in Cartilage
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Biochemistry & Molecular Biology↗
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Results for “Koopman”
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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Grand Challenges and Opportunities in Stimulated Dynamic and Resonant Catalysis
Traditional heterogeneous catalysis is constrained by kinetic and thermodynamic limits, such as the Sabatier principle and reaction equilibrium. Dynamic and resonant catalysts hold promise to overcome these limitations by actively oscillating a catalyst’s physical or electronic structure at the time scale of the catalytic cycle, allowing programmable control over reaction pathways, and leading to improved rate and selectivity. External stimuli such as temperature swing, mechanical strain, electric charge, and light can perturb catalyst surfaces in different ways, altering adsorbate coverage, binding energies, and transition states beyond what steady-state catalysis allows. This work surveys the current state of dynamic catalysis, introduces the concept of “ stimulando ” characterization for observing transient dynamics, and outlines key modeling, mechanistic, and benchmarking strategies to advance the field toward improved chemical transformation.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
A compendium of human gene functions derived from evolutionary modelling
A comprehensive, computable representation of the functional repertoire of all macromolecules encoded within the human genome is a foundational resource for biology and biomedical research. The Gene Ontology Consortium has been working towards this goal by generating a structured body of information about gene functions, which now includes experimental findings reported in more than 175,000 publications for human genes and genes in experimentally tractable model organisms 1,2 . Here, we describe the results of a large, international effort to integrate all of these findings to create a representation of human gene functions that is as complete and accurate as possible. Specifically, we apply an expert-curated, explicit evolutionary modelling approach to all human protein-coding genes. This approach integrates available experimental information across families of related genes into models that reconstruct the gain and loss of functional characteristics over evolutionary time. The models and the resulting set of 68,667 integrated gene functions cover approximately 82% of human protein-coding genes. The functional repertoire reveals a marked preponderance of molecular regulatory functions, and the models provide insights into the evolutionary origins of human gene functions. We show that our set of descriptions of functions can improve the widely used genomic technique of Gene Ontology enrichment analysis. The experimental evidence for each functional characteristic is recorded, thereby enabling the scientific community to help review and improve the resource, which we have made publicly available.
59 BASIC BIOLOGICAL SCIENCES↗
Exploring direct photodetachment and photodissociation–photodetachment dynamics of platinum iodide anions (PtI n - , n = 2–5) using cryogenic photoelectron spectroscopy
The direct photodetachment and two-photon photodissociation–photodetachment processes of a series of PtI n - (n = 2–5) anions were systematically studied using cryogenic anion photoelectron spectroscopy and first-principles electronic structure calculations. The adiabatic/vertical detachment energies (ADEs/VDEs) of these anions were determined from their 193 nm photoelectron (PE) spectra, i.e., 3.54/3.63, 4.04/4.09, 4.33/4.36, and 4.37/4.41 eV for n = 2–5, respectively, and well reproduced by B3LYP-D3(BJ)/aug-cc-pVTZ-pp calculations. As the coordination number increases, the electron affinity (EA) of PtI n • (n = 2–5) neutrals (equivalent to the corresponding anion’s ADE) gradually increases, exceeding the EA of Cl at n = 3 and exhibiting superhalogen characteristics for n ≥ 3. Meanwhile, the ground state transition contributed from detaching electrons in the highest occupied molecular orbital gradually evolves from the central metal Pt to the iodine ligands. For the PtI 3 - anion, besides one-photon direct detachment, four distinct two-photon photodissociation–photodetachment channels were identified, and the competition between them was discussed.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Repartitioning the Hamiltonian in many-body second-order Brillouin–Wigner perturbation theory: Uncovering new size-consistent models
Second-order Møller-Plesset perturbation theory is well-known as a computationally inexpensive approach to the electron correlation problem that is size-consistent with a size-consistent reference but fails to be regular. On the other hand, the less well-known many-body version of Brillouin-Wigner perturbation theory has the reverse properties: it is regular but fails to be size-consistent when used with the standard MP partitioning. Consequently, its widespread use remains limited. In this work, we analyze the ways in which it is possible to use alternative non-MP partitions of the Hamiltonian to yield variants of BW2 that are size-consistent as well as regular. We show that there is a vast space of such BW2 theories and also show that it is possible to define a repartitioned BW2 theory from the ground state density alone, which regenerates the exact correlation energy. We also provide a general recipe for deriving regular, size-consistent, and size-extensive partitions from physically meaningful components, and we apply the result to small model systems. The scope of these results appears to further set the stage for a revival of BW2 in quantum chemistry.
Ab initio perturbation↗
The Atacama Cosmology Telescope: DR6 maps
We present Atacama Cosmology Telescope (ACT) Data Release 6 (DR6) maps of the Cosmic Microwave Background temperature and polarization anisotropy at arcminute resolution over three frequency bands centered on 98, 150 and 220 GHz. The maps are based on data collected with the AdvancedACT camera over the period 2017–2022 and cover 19,000 square degrees with a median combined depth of 10 μK arcmin. We describe the instrument, mapmaking and map properties and illustrate them with a number of figures and tables.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
The Atacama Cosmology Telescope: DR6 power spectra, likelihoods and ΛCDM parameters
We present power spectra of the cosmic microwave background (CMB) anisotropy in temperature and polarization, measured from the Data Release 6 maps made from Atacama Cosmology Telescope (ACT) data. These cover 19,000 deg 2 of sky in bands centered at 98, 150 and 220 GHz, with white noise levels three times lower than Planck in polarization. We find that the ACT angular power spectra estimated over 10,000 deg 2 , and measured to arcminute scales in TT, TE and EE, are well fit by the sum of CMB and foregrounds, where the CMB spectra are described by the ΛCDM model. Combining ACT with larger-scale Planck data, the joint P-ACT dataset provides tight limits on the ingredients, expansion rate, and initial conditions of the universe. We find similar constraining power, and consistent results, from either the Planck power spectra or from ACT combined with WMAP data, as well as from either temperature or polarization in the joint P-ACT dataset. When combined with CMB lensing from ACT and Planck, and baryon acoustic oscillation data from the Dark Energy Spectroscopic Instrument (DESI DR1), we measure a baryon density of Ω b h 2 = 0.0226 ± 0.0001, a cold dark matter density of Ω c h 2 = 0.118 ± 0.001, a Hubble constant of H 0 = 68.22 ± 0.36 km/s/Mpc, a spectral index of n s = 0.974 ± 0.003, and an amplitude of density fluctuations of σ 8 = 0.813 ± 0.005. Including the DESI DR2 data tightens the Hubble constant to H 0 = 68.43 ± 0.27 km/s/Mpc; ΛCDM parameters agree between the P-ACT and DESI DR2 data at the 1.6σ level. We find no evidence for excess lensing in the power spectrum, and no departure from spatial flatness. The contribution from Sunyaev-Zel'dovich (SZ) anisotropy is detected at high significance; we find evidence for a tilt with suppressed small-scale power compared to our baseline SZ template spectrum, consistent with hydrodynamical simulations with feedback.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
The Atacama Cosmology Telescope: DR6 constraints on extended cosmological models
We use new cosmic microwave background (CMB) primary temperature and polarization anisotropy measurements from the Atacama Cosmology Telescope (ACT) Data Release 6 (DR6) to test foundational assumptions of the standard cosmological model, ΛCDM, and set constraints on extensions to it. We derive constraints from the ACT DR6 power spectra alone, as well as in combination with legacy data from the Planck mission. To break geometric degeneracies, we include ACT and Planck CMB lensing data and baryon acoustic oscillation data from DESI Year-1. To test the dependence of our results on non-ACT data, we also explore combinations replacing Planck with WMAP and DESI with BOSS, and further add supernovae measurements from Pantheon+ for models that affect the late-time expansion history. We verify the near-scale-invariance (running of the spectral index dn s /d ln k = 0.0062 ± 0.0052) and adiabaticity of the primordial perturbations. Neutrino properties are consistent with Standard Model predictions: we find no evidence for new light, relativistic species that are free-streaming (N eff = 2.86 ± 0.13, which combined with astrophysical measurements of primordial helium and deuterium abundances becomes N eff = 2.89 ± 0.11), for non-zero neutrino masses (∑m ν < 0.089 eV at 95% CL), or for neutrino self-interactions. We also find no evidence for self-interacting dark radiation (N idr < 0.134), or for early-universe variation of fundamental constants, including the fine-structure constant (α EM /α EM,0 = 1.0043 ± 0.0017) and the electron mass (m e /m e,0 = 1.0063 ± 0.0056). Our data are consistent with standard big bang nucleosynthesis (we find Y p = 0.2312 ± 0.0092), the COBE/FIRAS-inferred CMB temperature (we find T CMB = 2.698 ± 0.016 K), a dark matter component that is collisionless and with only a small fraction allowed as axion-like particles, a cosmological constant (w = -0.986 ± 0.025), and the late-time growth rate predicted by general relativity (γ = 0.663 ± 0.052). We find no statistically significant preference for a departure from the baseline ΛCDM model. In fits to models invoking early dark energy, primordial magnetic fields, or an arbitrary modified recombination history, we find H 0 = 69.9 +0.8 -1.5 , 69.1 ± 0.5, or 69.6 ± 1.0 km/s/Mpc, respectively; using BOSS instead of DESI BAO data reduces the central values of these constraints by 1–1.5 km/s/Mpc while only slightly increasing the error bars. In general, models introduced to increase the Hubble constant or to decrease the amplitude of density fluctuations inferred from the primary CMB are not favored over ΛCDM by our data.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
How Much Reserve Fuel: Quantifying the Maximal Energy Cost of System Disturbances
Motivated by the design question of additional fuel needed to complete a task in an uncertain environment, this paper introduces metrics to quantify the maximal additional energy used by a control system in the presence of bounded disturbances, compared to a nominal, disturbance-free system. In particular, we consider the task of finite-time stabilization for a linear, time-invariant system. We compare the nominal energy required to achieve this task in the disturbance-free system to the worst-case energy over all feasible disturbances. Solving for the worst-case energy over all disturbances first leads to an optimal control problem with a least-squares solution, and then an infinite-dimensional optimization problem where we derive an upper bound on the solution. The comparison of energies is accomplished using additive and multiplicative metrics, for which we derive bounds. Simulation examples on an ADMIRE fighter jet model demonstrate the practicability of these metrics, and their variation with the distance of the initial condition from the origin and the task completion time.
koopman operator, resilience↗
Efficient Streaming Dynamic Mode Decomposition
We propose a reformulation of the streaming dynamic mode decomposition method that requires maintaining a single orthonormal basis, thereby reducing computational redundancy. The proposed efficient streaming dynamic mode decomposition method results in a constant-factor reduction in computational complexity and memory storage requirements. Numerical experiments on representative canonical dynamical systems show that the enhanced computational efficiency does not compromise the accuracy of the proposed method.
97 MATHEMATICS AND COMPUTING↗
The Atacama Cosmology Telescope: DR6 Sunyaev-Zel'dovich Selected Galaxy Clusters Catalog
We present the results of a search for galaxy clusters in the Atacama Cosmology Telescope (ACT) Data Release 6 (DR6) microwave sky maps covering 16293 square degrees in three frequency bands, using data obtained over the lifetime of the project (2008-2022). We report redshifts and mass estimates for 10040 clusters detected via their Sunyaev-Zel'dovich (SZ) effect with signal-to-noise greater than 4 at a 2.4 arcminute filter scale. The catalog includes 1180 clusters at redshifts greater than 1, and 124 clusters at redshifts greater than 1.5. Using a relation between cluster SZ signal and mass that is consistent with recent weak-lensing measurements, we estimate that clusters detected with signal-to-noise greater than 5 form a sample which is 90% complete for clusters with masses greater than $5 \times 10^{14}$ MSun (measured within a spherical volume with mean density 500 times the critical density). El Gordo, a cluster found in an initial ACT survey of 755 square degrees, remains the most extreme cluster in mass and redshift; we find no cluster with a mass and redshift combination high enough to falsify the standard LCDM cosmology with Gaussian initial perturbations. We make public a variety of data products, including the full cluster candidate list, noise maps, and sky masks, along with our software for cluster detection and instructions for reproducing our cluster catalogs from the public ACT maps.
Aguena, M. [Trieste Observ.; LIneA, Rio de Janeiro↗
Joint Estimation of Properties of the Lunar Subsurface and Galactic Foregrounds with LuSEE-night
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73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
The Simons Observatory: Design, Integration, and Testing of the Small Aperture Telescopes
The Simons Observatory (SO) is a cosmic microwave background survey experiment that includes small-aperture telescopes (SATs) observing from an altitude of 5200 m in the Atacama Desert in Chile. The SO SATs will cover six spectral bands between 27 and 280 GHz to search for primordial B-modes to a sensitivity of σ(r) = 0.002, with quantified systematic errors well below this value. Each SAT is a self-contained cryogenic telescope with a 35° field of view, 42 cm diameter optical aperture, 40 K half-wave plate, 1 K refractive optics, and <0.1 K focal plane that holds >12,000 transition edge sensor detectors. We describe the nominal design of the SATs and present details about the integration and testing for one operating at 93 and 145 GHz.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Simons Observatory: Characterization of the Large Aperture Telescope Receiver
The Simons Observatory (SO) is a ground-based cosmic microwave background (CMB) survey experiment that currently consists of three 0.42 m small-aperture telescopes and one 6 m large-aperture telescope (LAT), located at an elevation of 5200 m in the Atacama Desert in Chile. At the LAT’s focal plane, SO will install >62,000 transition-edge sensor detectors across 13 optics tubes (OTs) within the Large Aperture Telescope Receiver (LATR), the largest cryogenic camera ever built to observe the CMB. Furthermore we report on the validation of the LATR in the laboratory and the subsequent dark testing and validation within the LAT. We show that the LATR meets cryogenic, optical, and detector specifications required for high-sensitivity measurements of the CMB. At the time of writing, the LATR is installed in the LAT with six OTs (corresponding to >31,000 detectors), and the LAT mirrors and remaining seven OTs are undergoing development.
Astronomical instrumentation↗