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Here, we developed a physiologically based pharmacokinetic (PBPK) model in rats and humans for the isobutyl metabolic series including isobutyl acetate, isobutanol, isobutyraldehyde, and isobutyric acid. Chemical manufactures routinely use these compounds as solvents, for chemical synthesis, as potential biofuels, de-icing fluids, and additives for food and/or fragrance in consumer products. Human exposure to isobutyl compounds can occur through inhalation or oral routes. We previously developed a PBPK model for the propyl metabolic series and utilized it as a framework to create the isobutyl PBPK model due to the chemical similarities between the two series. To support model development, we measured in vitro metabolism of isobutyl acetate in rat and human blood and liver S9 fractions. Compared to rats, humans demonstrated faster isobutyl acetate hydrolysis in liver S9 fractions, while the hydrolysis rates in blood were similar between the two species. We used concentrations of isobutyl compounds measured in air and blood from rats exposed to isobutyl acetate and isobutanol as well as other published data to further parameterize the model. Following exposure to either isobutyl acetate or isobutanol, we observed isobutanol concentrations highest among the isobutyl compounds in the blood of rats. Overall, the model accurately predicts measured time course concentrations of isobutyl acetate, isobutanol, and isobutyric acid in available data in rats and humans. Sensitivity analyses identified alveolar ventilation rates, isobutyl metabolism rates, and cardiac output as the most sensitive parameters affecting concentrations of isobutyl compounds in blood. The isobutyl PBPK model enables comparisons of internal dose metrics across various isobutyl compound exposures and species and allows for calculation of equivalent external exposures that result in the same dose metric. Regulators can employ this PBPK model to predict and align internal dose metrics of isobutyl compounds for risk assessment purposes.
A stochastic-geometric landsurface reflectance model is formulated and tested for the parameterization of spatially variable vegetation and soil at subpixel scales using satellite multispectral images without ground truth. Landscapes are conceptualized as 3-D Lambertian reflecting surfaces consisting of plant canopies, represented by solid geometric figures, superposed on a flat soil background. A computer simulation program is developed to investigate image characteristics at various spatial aggregations representative of satellite observational scales, or pixels. The evolution of the shape and structure of the red-infrared space, or scattergram, of typical semivegetated scenes is investigated by sequentially introducing model variables into the simulation. The analytical moments of the total pixel reflectance, including the mean, variance, spatial covariance, and cross-spectral covariance, are derived in terms of the moments of the individual fractional cover and reflectance components. The moments are applied to the solution of the inverse problem: The estimation of subpixel landscape properties on a pixel-by-pixel basis, given only one multispectral image and limited assumptions on the structure of the landscape. The landsurface reflectance model and inversion technique are tested using actual aerial radiometric data collected over regularly spaced pecan trees, and using both aerial and LANDSAT Thematic Mapper data obtained over discontinuous, randomly spaced conifer canopies in a natural forested watershed. Different amounts of solar backscattered diffuse radiation are assumed and the sensitivity of the estimated landsurface parameters to those amounts is examined.
The rapid increase in the volume and variety of terrestrial biosphere observations (i.e., remote sensing data and in situ measurements) offers a unique opportunity to derive ecological insights, refine process‐based models, and improve forecasting for decision support. However, despite their potential, ecological observations have primarily been used to benchmark process‐based models, as many past and current models lack the capability to directly integrate observations and their associated uncertainties for parameterization. In contrast, data assimilation frameworks such as the CARbon DAta MOdel fraMework (CARDAMOM) and its suite of process‐based models, known as the Data Assimilation Linked Ecosystem Carbon Model (DALEC), are specifically designed for model‐data fusion. This review, motivated by a recent CARDAMOM community workshop, examines the development and applications of CARDAMOM, with an emphasis on its role in advancing ecosystem process understanding. CARDAMOM employs a Bayesian approach, using a Markov Chain Monte Carlo algorithm to enable data‐driven calibration of DALEC parameters and initial states (i.e., carbon pool sizes) through observation operators. CARDAMOM's unique ability to retrieve localized model process parameters from diverse datasets—ranging from in situ measurements to global satellite observations—makes it a highly flexible tool for analyzing spatially variable ecosystem responses to environmental change. However, assimilating these data also presents challenges, including data quality issues that propagate into model skill, as well as trade‐offs between model complexity, parameter equifinality, and predictive performance. We discuss potential solutions to these challenges, such as reducing parameter equifinality by incorporating new observations. This review also offers community recommendations for incorporating emerging datasets, integrating machine learning techniques, strengthening collaboration with remote sensing, field, and modeling communities, and expanding CARDAMOM's relevance for localized ecosystem monitoring and decision‐making. CARDAMOM enables a deep, mechanistic understanding of terrestrial ecosystem dynamics that cannot be achieved through empirical analyses of observational datasets or weakly constrained models alone.
Ion composition data from the OGO-6 satellite are used to develop an empirical model of the H(+) signature in the equatorial anomaly. The empirical model is an attempt to represent the generally repeatable details of the satellite data by a parameterized numerical model accounting for such variables as the altitude, local time and longitude of the observations. Although the resulting model is in general agreement with past findings on the variability of the equatorial anomaly phenomenon, there appears to be a complexity of short-term or narrowly localized variations which cannot be adequately understood on the basis of data from a single satellite.
This paper describes the datasets that were used to implement an AgMIP Regional Integrated Assessment for the Nioro region of Senegal to assess the potential impacts of climate change on the principal agricultural system in the Senegal peanut basin and to assess adaptations of that system to climate change under current as well as future climate and socio-economic conditions. This dataset includes the Representative Agricultural Pathways developed for Nioro from 2000-2050; the climate data that were used to implement crop yield simulations; the data that were used to parameterize the DSSAT and APSIM crop models, including historical climate data and future climate scenarios; and the data that were used to parameterize the Tradeoff Analysis Model for Multi-dimensional Impact Assessment (TOAMD) economic simulation model, as well as simulated model outputs.
Arctic warming is altering vegetation and carbon dynamics with global implications, yet Earth System Model (ESM) predictions in the Arctic remain highly uncertain, in part due to historically limited data for model parameterization and validation. As such, ESMs typically represent Arctic ecosystems in an oversimplified manner. Recently, nine plant functional types (PFTs) designed to realistically represent tundra vegetation were integrated into the Energy Exascale Earth System Model (E3SM) Land Model (ELM) and parameterized using plot-scale observations from a single site. Additional evaluation was needed to determine their transferability across the Arctic. Here, in this study, we evaluated whether refined representation of tundra vegetation improved model accuracy by conducting spatially explicit 100 × 100 m resolution ELM simulations on Alaska's Seward Peninsula. Simulations with the default two-PFT configuration and with the nine Arctic-specific PFTs were benchmarked against observations of net ecosystem exchange, gross primary production, and aboveground biomass from multiple data streams including an eddy covariance flux tower, flux chambers, and aircraft and unoccupied aerial system hyperspectral remote sensing. Evaluation revealed that Arctic-specific PFT simulations produced more realistic landscape-level carbon exchanges, and better captured observed heterogeneity in biomass and productivity, explaining 60%–70% of spatial variance (R 2 = 0.6–0.7) compared to just 12%–18% (R 2 = 0.12–0.18) with the default configuration. However, the refined model failed to reproduce observed aboveground biomass for highly productive alder-willow communities, requiring further evaluation of carbon allocation parameterizations for tall shrubs that are increasingly expanding across tundra landscapes. Our results demonstrate that enhanced representation of vegetation heterogeneity boosts predictive understanding of tundra carbon dynamics, facilitating regional to pan-Arctic model and remote-sensing scaling.
Wind and temperature data collected on commercial airliners are used to investigate the effects of underlying terrain on mesoscale variability. These results expand upon those of Nastrom et al., by including all available data from the Global Atmospheric Sampling Program (GASP) and by more closely focusing on the coupling of variance with the roughness of the underlying terrain over mountainous regions. The earlier results, showing that variances are larger over mountains than over oceans or plains, with greatest increases at wavelengths below about 80 km, are confirmed. Statistical tests are used to confirm that these differences are highly significant. Over mountainous regions the roughness of the underlying terrain was parameterized from topographic data and it was found that variances are highly correlated with roughness and, in the troposphere, with background windspeed. Average variances over the roughest terrain areas range up to about ten times larger than those over the oceans. These results are found to follow the scaling with stability predicted in the framework of linenar gravity wave theory. The implications of these results for vertical transports of momentum and energy, assuming they are due to gravity waves and considering the effects of intermittency and anisotroy, are also discussed.
Accurate modeling of aerosol-cloud interactions is essential for reliable weather and air quality simulations, given their significant impact on precipitation patterns, cloud dynamics, and aerosol distributions. This study employed the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem) to examine the impact of enhanced meteorological simulations, achieved through advanced microphysics parameterization supported by data assimilation techniques, on air quality across Texas on August 19 and 20, 2022. We tested four distinct configurations: (1) the Morrison two-moment bulk microphysics scheme, (2) Morrison's with observation nudging, (3) the Spectral Bin Microphysics (SBM), and (4) SBM with observation nudging. While the SBM scheme is known for its detailed representation of aerosol-cloud interactions, our focus was on how improvements in meteorological accuracy translate to more precise air quality simulations. Our findings demonstrated a progressive improvement in simulation accuracy, starting with the Morrison's scheme and further enhanced by adopting the SBM scheme, complemented by incorporating observation nudging. Specifically, the combination of the SBM scheme and the nudging substantially enhanced the model's ability to capture convective precipitation events, as shown by better alignment with NEXRAD radar reflectivity, with R increasing from –0.21 to 0.82, IOA from 0.10 to 0.87, and NMB decreasing from 99% to 34% in Houston. The enhanced meteorology translated into more accurate PM 2.5 concentration simulations, particularly through the more accurate representation of aerosol washout during precipitation events. In Houston, the SBM scheme with nudging improved the model's PM 2.5 simulations significantly, with NMB decreasing from –20% to 5% and IOA improving from 0.43 to 0.61. In San Antonio, improvements were also notable, with NMB improved from –27% to –22%, R increased from 0.48 to 0.82, and IOA increased from 0.66 to 0.86. Furthermore, our results underscore the crucial role of accurate meteorological simulations in refining our understanding of aerosol behaviors in relation to precipitation patterns, directly enhancing the reliability and effectiveness of air quality modeling.
We report a study of the inelasticity distribution in the scattering of neutrinos of energy 80–560 GeV off nucleons. Using atmospheric muon neutrinos detected in IceCube’s sub-array DeepCore during 2012–2021, we fit the observed inelasticity in the data to a parameterized expectation and extract the values that describe it best. Finally, we compare the results to predictions from various combinations of perturbative QCD calculations and atmospheric neutrino flux models.
Coherent pion production, characterized by a neutrino interacting with an entire nucleus without breaking it apart, results in a forward-going muon, pion, and a low-momentum recoil nucleus. This process provides a sensitive probe of neutrino-nucleus interactions and offers a potential standard candle for neutrino-flux normalization in neutrino-oscillation experiments. We present the first measurement of the flux-averaged charged-current coherent pion production cross section on argon nucleus using the MicroBooNE liquid argon time projection chamber. The analysis employs particle identification together with a data-driven background parameterization to isolate the coherent signal. This measurement uses the full MicroBooNE dataset collected from the Fermilab Booster Neutrino Beam, corresponding to an exposure of 1.26E10^21 protons on target and an average neutrino energy of approximately 0.8 GeV. The result provides the first constraint on charged-current coherent pion production on argon nucleus at sub-GeV energies and supplies important input for improving neutrino interaction modeling in current and future experiments such as DUNE.
Since clouds are the largest variable in Earth's radiation budget, it is critical to determine both the spatial and temporal characteristics of their radiative properties. The relationships between cloud properties and cloud fraction are studied in order to supplement grid scale parameterizations. The satellite data used is from three hourly ISCCP (International Satellite Cloud Climatology Project) and monthly ERBE (Earth Radiation Budget Experiment) data on a 2.5 deg x 2.5 deg latitude-longitude grid. Mean cloud spherical albedo, the mean optical depth distribution, and cloud fraction are examined and compared off the coast of California and the mid-tropical Atlantic for July 1987 and 1988. Individual grid boxes and spatial averages over several grid boxes are correlated to Coakley's theory of reflection for uniform and broken layered cloud and to Kedem, et al.'s findings that rainfall volume and fractional area of rain in convective systems is linear. Kedem's hypothesis can be expressed in terms of cloud properties. That is, the total volume of liquid in a box is a linear function of cloud fraction. Results for the marine stratocumulus regime indicate that albedo is often invariant for cloud fractions of 20% to 80%. Coakley's satellite model of small and large clouds with cores (1 km) and edges (100 m) is consistent with this observation. The cores maintain high liquid water concentrations and large droplets while the edges contain low liquid water concentrations and small droplets. Large clouds are just a collection of cores. The mean optical depth (TAU) distributions support the above observation with TAU values of 3.55 to 9.38 favored across all cloud fractions. From these results, a method based upon Kedem, et al's theory is proposed to separate the cloud fraction and liquid water path (LWP) calculations in a general circulation model (GCM). In terms of spatial averaging, a linear relationship between albedo and cloud fraction is observed. For tropical locations outside the Intertropical Convergence Zone (ITCZ), results of cloud fraction and albedo spatial averaging followed that of the stratus boxes containing few overcast scenes. Both the ideas of Coakley and Kedem, et al. apply. Within the ITCZ, the grid boxes tended to have the same statistical properties as stratus boxes containing many overcast scenes. Because different dynamical forcing mechanisms are present, it is difficult to devise a method for determining subgrid scale variations. Neither of the theories proposed by Kedem, et al. or Coakley works well for the boxes with numerous overcast scenes.
Since clouds are the largest variable in Earth's radiation budget, it is critical to determine both the spatial and temporal characteristics of their radiative properties. This study examines the relationships between cloud properties and cloud fraction in order to supplement grid scale parameterizations. The satellite data used in this study is from three hourly ISCCP (International Satellite Cloud Climatology Project) and monthly ERBE (Earth Radiation Budget Experiment) data on a 2.50 x 2.50 latitude-longitude grid. Mean cloud spherical albedo, the mean optical depth distribution and cloud fraction are examined and compared off the coast of California and the mid-tropical Atlantic for July 1987 and 1988. Individual grid boxes and spatial averages over several grid boxes are correlated to Coakleys (1991) theory of reflection for uniform and broken layered cloud and to Kedem, et al.(1990) findings that rainfall volume and fractional area of rain in convective systems is linear. Kedem's hypothesis can be expressed in terms of cloud properties. That is, the total volume of liquid in a box is a linear function of cloud fraction. Results for the marine stratocumulus regime indicate that albedo is often invariant for cloud fractions of 20% to 80%. Coakley's satellite model of small and large clouds with cores (1 km) and edges (100 in) is consistent with this observation. The cores maintain high liquid water concentrations and large droplets while the edges contain low liquid water concentrations and small droplets. Large clouds are just a collection of cores. The mean optical depth (TAU) distributions support the above observation with TAU values of 3.55 to 9.38 favored across all cloud fractions. From these results, a method based upon Kedem, et al. theory is proposed to separate the cloud fraction and liquid water path (LWP) calculations in a general circulation model (GCM). In terms of spatial averaging, a linear relationship between albedo and cloud fraction is observed. For tropical locations outside the Intertropical Convergence Zone (ITCZ), results of cloud fraction and albedo spatial averaging followed that of the stratus boxes containing few overcast scenes. Both the ideas of Coakley and Kedem, et al. apply. Within the ITCZ, the grid boxes tended to have the same statistical properties as stratus boxes containing many overcast scenes. Because different dynamical forcing mechanisms are present, it is difficult to devise a method for determining subgrid scale variations. Neither of the theories proposed by Kedem, et al. or Coakley works well for the boxes with numerous overcast scenes.
Major emphasis of the investigation was the development of theoretical and numerical models of the aurora and of high latitude ionospheric processes. In particular: (1) the NCAR TIGCM (Thermosphere-Ionosphere Global Circulation Model) was updated to include mid and low latitude electrodynamics (this version is called TIE-GCM); (2) the NCAR TIE-GCM was modified to include a more realistic representation of the aurora; (3) the UAF auroral electron transport model was modified to include local acceleration processes; (4) a local ionospheric and auroral model (AURORA) was developed to allow detailed studies of the aurora; (5) a proton-hydrogen transport code has been developed to model proton aurora; and (6) a theory for the production of suprathermal atoms and ions in the upper atmosphere was developed and applied to studies of atomic nitrogen transport and helium escape on open field lines. These models enable us to devise schemes for tile interpretation and quantitative analysis of data obtained by the POLAR spacecraft. Parameterizations were formulated and are available to the GGS investigators. The UVI and VIS teams have adopted these parameterizations and include them in their data analysis. We have developed software for the quantitative interpretation of UVI and VIS images. After the launch of the POLAR satellite we used the image data from UVI and VIS in combination with ground based data from SuperDARN and incoherent scatter radars, magnetometers, and in situ observations from DMSP and NOAA satellites to characterize the state of the ionosphere. A number of event studies have been carried out in cooperation with other CGS theory teams.
Theoretical understanding of the dependence of sea state bias (SSB) on wind wave conditions has been achieved only for the case of a unidirectional wind-driven sea. Recent analysis of Geosat and TOPEX altimeter data showed that additional factors, such as swell, ocean currents, and complex directional properties of realistic wave fields, may influence SSB behavior. Here we investigate effects of two-dimensional multimodal wave spectra using a numerical model of radar reflection from a random, non-Gaussian surface. A recently proposed ocean wave spectrum is employed to describe sea surface statistics. The following findings appear to be of particular interest: (1) Sea swell has an appreciable effect in reducing the SSB coefficient compared with the pure wind sea case but has less effect on the actual SSB owing to the corresponding increase in significant wave height. (2) Hidden multimodal structure (the two-dimensional wavenumber spectrum contains separate peaks, for swell and wind seas, while the frequency spectrum looks unimodal) results in an appreciable change of SSB. (3) For unimodal, purely wind-driven seas, the influence of the angular spectral width is relatively unimportant; that is, a unidirectional sea provides a good qualitative model for SSB if the swell is absent. (4) The pseudo wave age is generally much better fo parametrization the SSB coefficient than the actual wave age (which is ill-defined for a multimodal sea) or wind speed. (5) SSB can be as high as 5% of the significant wave height, which is significantly greater than predicted by present empirical model functions tuned on global data sets. (6) Parameterization of SSB in terms of wind speed is likely to lead to errors due to the dependence on the (in practice, unknown) fetch.
The rate of carbon accumulation by terrestrial plant communities in a process-level, mechanistic modeling is the difference of the rate of gross photosynthesis by a canopy (A(sub g)) and autotrophic respiration (R) of the stand. Observations for different biomes often show that R to be a large and variable fraction of A(sub g), ca. 35% to 75%, although other studies suggest the ratio of R and A(sub g) to be less variable. Here, R has been calculated according to the two compartment model as being the sum of maintenance and growth components. The maintenance respiration of foliage and living fine roots for different biomes has been determined objectively from observed nitrogen content of these organs. The sapwood maintenance respiration is based on pipe theory, and checked against an independently derived equation considering sapwood biomass and its maintenance coefficient. The growth respiration has been calculated from the difference of A(sub g) and maintenance respiration. The A(sub g) is obtained as the product of biome-specific radiation use efficiency for gross photosynthesis under unstressed conditions and intercepted photosynthetically active radiation, and adjusted for stress. Calculations have been done using satellite and ground observations for 36 consecutive months (1987-1989) over large contiguous areas (ca. 10(exp 5) sq km) of boreal forests, crop land, temperate deciduous forest, temperate grassland, tropical deciduous forest, tropical evergreen forest, tropical savanna, and tundra. The ratio of annual respiration and gross photosynthesis, (R/A(sub g)), is found to be 0.5-0.6 for temperate and cold adopted biome areas, but somewhat higher for tropical biome areas (0.6-0.7). Interannual variation of the fluxes is found to be generally less than 15%. Calculated fluxes are compared with observations and several previous estimates. Results of sensitivity analysis are presented for uncertainties in parameterization and input data. It is found that uncertainty in determining maintenance respiration for tropical biomes is such that R/A(sub g) for these biomes could be similar to that for temperate biomes.
Accurate knowledge of pion production cross section in PA-collisions is of interest for astrophysics, CR physics, and space radiation studies. Meanwhile, pion production in pA-reactions is often accounted for by simple scaling of that for pp-collisions, which is not enough for many real applications. We evaluate the quality of existing parameterizations using the data and simulations with the Los Alamos version of the Quark-Gluon String Model code LAQGSM and the improved Cascade-Exciton Model code CEM2k. The LAQGSM and CEM2k models have been shown to reproduce well nuclear reactions and hadronic data in the range 0.01-800 GeV/nucleon.
The density of Earth's outer core requires that about 5-10% of the outer core be composed of elements lighter than Fe-Ni; proposed choices for the "light element" component of Earth's core include H, C, O, Si, S, and combinations of these elements [e.g. 1]. Though samples of Earth's core are not available, mantle samples contain elemental signatures left behind from the formation of Earth's core. The abundances of siderophile (metal-loving) elements in Earth's mantle have been used to gain insight into the early accretion and differentiation history of Earth, the process by which the core and mantle formed, and the composition of the core [e.g. 2-4]. Similarly, the abundance of potential light elements in Earth's mantle could also provide constraints on Earth's evolution and core composition. The S abundance in Earth's mantle is 250 ( 50) ppm [5]. It has been suggested that 250 ppm S is too high to be due to equilibrium core formation in a high pressure, high temperature magma ocean on early Earth and that the addition of S to the mantle from the subsequent accretion of a late veneer is consequently required [6]. However, this earlier work of Li and Agee [6] did not parameterize the metalsilicate partitioning behavior of S as a function of thermodynamic variables, limiting the different pressure and temperature conditions during core formation that could be explored. Here, the question of explaining the mantle abundance of S is revisited, through parameterizing existing metal-silicate partitioning data for S and applying the parameterization to core formation in Earth.