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DOE OSTI2025

An Antibody Cocktail-Based Immunoaffinity-LC-MS Method Enabled Ultra-Sensitive and Robust Quantification of Circulating Proinsulin Proteoforms and C-Peptide

Accurately measuring circulating proinsulin proteoforms is crucial for clinical investigation of diabetes, but was previously not feasible owing to limited assay specificity/sensitivity. Here, in this study, we devised a highly sensitive LC-MS-based strategy to quantify intact proinsulin, des-31,32 and des-64,65 proinsulin, and C-peptide in circulation. The method involves: (i) quantitative, robust affinity capture using an optimized antibody cocktail, eliminating the severe quantitative bias across multiple proteoforms typically introduced when using a single antibody; (ii) Lys-C digestion producing unique signature peptides for each proteoform, and (iii) trapping-nano-LC coupled with FAIMS/dCV-MS for an ultrasensitive analysis. The selective trapping/delivery ensured sensitive/selective analysis of the targets while achieving excellent analytical robustness that is critical for clinical assays, and the FAIMS/dCV substantially reduces baseline noise/interferences, further enhancing S/N. The assay achieved exceptional sensitivity, with serum LOQs of 1.7, 2.3, and 3.6 pg/mL respectively for intact-proinsulin, des-31,32 and des-64,65, representing the first assay capable of sensitively quantifying these major circulating proinsulin proteoforms. We applied this assay to 78 subjects, including autoantibody positive (n = 20) and new-onset type 1 diabetes (T1D, n = 19) with respective age/sex/BMI-matched controls, enabling the first accurate profiling of proinsulin proteoforms in clinical groups. The assay results demonstrated a clear separation of control and new-onset T1D groups that a parallel total-proinsulin ELISA assay fails to capture. Furthermore, distinct expression patterns in relative abundance ratios among proteoforms were observed across clinical groups. This assay may provide valuable insights into the β-cell functions and the onset/progression of diabetes and other associated conditions. Moreover, the strategy is broadly applicable to targeted measurement of other biomarker proteoforms.

Shen, Qingqing [University at Buffalo, NY (United ↗

DOE OSTI2026

Delving into the depths of NGC 3783 with XRISM

Using XRISM/Resolve 439 ks time-averaged spectra of the well-known Seyfert-1.5 active galactic nucleus (AGN) in NGC 3783, we investigated the nature of the Fe Kα emission line at 6.4 keV, the strongest and most common X-ray line observed in AGNs. Even the narrow component of the line is resolved with evident Fe Kα 1 (6.404 keV) and Kα 2 (6.391 keV) contributions with a 2:1 flux ratio, fully consistent with a neutral gas with negligible bulk velocity. The narrow and intermediate-width components have a full width at half maximum of 350 ± 50 km/s and 3510 ± 470 km/s, respectively, suggesting that they arise in the outer disk/torus and/or broad line region. We detect a 10% excess flux around 4–7 keV that is not described well by a symmetric Gaussian line but is consistent with a relativistically broadened emission line. In this study we took the simplest approach, modelling the asymmetric line as a single emission line (assuming neutral, He-like, or H-like iron) convolved with a relativistic disk line model. As expected, the inferred inclination angle (i) is highly sensitive to the assumed ionisation state and ranges between 17 and 44°. This model also constrains the black hole spin via the extent of the red wing: the required gravitational redshift in the fitted disk-line profile disfavours a non-spinning (Schwarzschild) black hole. The derived inner radius is close to the radius of the innermost stable circular orbit (rISCO) and is strongly correlated with the black hole spin. To better constrain the spin, we fixed the inner radius to r ISCO and derived a lower limit on the spin of a ≥ 0.29 at the 3σ confidence level. A Compton shoulder is detected in our data as well as a 2–3σ detection of the Cr Kα and Ni Kα lines.

Astronomy and AstroPhysics↗

DOE OSTI2021

Linear simulation of kinetic electromagnetic instabilities in a tokamak plasma with weak magnetic shear

Gyrokinetic simulation and eigenvalue calculation of electromagnetic instabilities are carried out for an experimentally observed low-n mode in weak magnetic shear discharge. With different magnetic shear values, the Gyrokinetic Toroidal Code simulation of the ion temperature gradient mode is consistent with the eigenvalue code (HD7) calculation. Due to the sensitivity of the kinetic ballooning mode (KBM) to global equilibrium, the simulation of the KBM deviates from the eigenvalue results, for the ballooning representation used in HD7 satisfies its spatial scale separations. Under a flat safety factor profile, the KBM is more unstable and its mode structure tends to move with the peak of the ion temperature drive. Further simulation of the KBM in an HL-2A-like equilibrium shows that the β excitation threshold of the mode is lower than 0.2% and the dominant toroidal mode number is n = 4, which is consistent with the measured experimental spectrum.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Dust semi-direct effects: low-level cloud response to free-tropospheric dust-induced longwave radiation over the North Atlantic Ocean

Aerosol semi-direct effect is the adjustment of the radiative budget due to the cloud response to radiation absorption. Although dust accounts for about a third of aerosols' shortwave absorption, our understanding of its semi-direct effect often relies on traditional shortwave-focused mechanisms previously established for biomass-burning aerosols, and implications of dust longwave absorption on clouds have yet to be explored. Here, we assess the low-level cloud cover (LLCC) response to changes in properties and characteristics of the free-tropospheric dust layer over the North Atlantic Ocean (May–August, 2007–2017). We find that, consistent with previous studies, LLCC typically responds positively (increases in clouds) to an overlying dust layer. However, this response weakens with increasing dust optical depth (DOD), dust geometric thickness (DGT), and dust-layer base height (DBH). Specifically, we find that the LLCC response weakens by 4.3 ± 1.04 % and 1.6 ± 0.65 %, respectively, for a one-standard-deviation increase in DOD and DGT, and a smaller response to DBH (0.19 ± 0.45 %). We also find that the weakened LLCC response is primarily due to enhanced dust-induced longwave-dominated cloud-top warming, which counteracts the mean cloud-top cooling by as much as 19 % (mean of 9 %). Sensitivity analysis further indicates that the variability in dust properties, influenced by dust size distribution and refractive index, dominates the changes in dust-induced cloud-top warming, rather than variabilities in cloud properties or thermodynamic profiles. Our result adds to the traditional understanding of LLCC enhancement through shortwave-driven atmospheric stability, often associated with aerosol semi-direct effects, and highlights the role of dust-induced cloud-top longwave warming in dust semi-direct effects.

Pandey, Satyendra K. [Univ. of California, Merced,↗

DOE OSTI2021

Theoretical analysis of key factors achieving reversed magnetic shear q-profiles sustained with lower hybrid waves on EAST

The phase space analysis technique is applied to provide new insights into the fully non-inductive lower hybrid current driven (LHCD) discharges on EAST (Garofalo et al 2017 Nucl. Fusion 57 076037). The analysis shows that there are bounded and unbounded topologies of lower hybrid (LH) waves in phase space. For typical parameters on EAST, the propagation domain for 4.6 GHz LH waves is bounded, while unbounded for 2.45 GHz LH waves and one of the conditions is recognized to be good for achieving an off-axis current profile driven by 4.6 GHz LH waves on EAST. The parametric analysis on the potential power deposition (PPD) region for those experiments demonstrates that the reversed magnetic shear dominates the wave behavior, and confines the LH power absorption to the far off-axis region as long as it occurs in the 4.6 GHz dominated LHCD discharge. GENRAY/CQL3D simulations also confirm this effect of reversed shear on the power absorption of 4.6 GHz waves. A bounded propagation domain and a positive feedback loop between magnetic shear reversal and off-axis LHCD profile could explain the LH-only-sustained strong reversed magnetic shear observed in experiments on multiple machines. In contrast, there is no such effect for 2.45 GHz waves on EAST since the PPD region is less sensitive to the change of reversed shear due to the unbounded propagation domain.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1976

CO observations of the expanding envelope of IRC + 10216

The paper reports high-sensitivity observations of (C-12)O and (C-13)O in the infrared source IRC + 10216, which were made with the NRAO 11-m telescope at frequencies of 115.2712 and 110.2014 GHz, respectively. The emission-line profiles are found to be in good qualitative agreement with model profiles predicted for a spherically symmetric and uniformly expanding envelope. Analysis of the profile shapes indicates that the (C-12)O line is optically thick, while the (C-13)O line is both optically thin and double-peaked. It is shown that the shape of the (C-12)O line is determined largely by the motion of the gas and that the expansion velocity at the edges of the CO cloud is 15 km/s, in contrast to 12 km/s for more centrally confined molecules. Based on the estimated (C-13)O content, the envelope mass is estimated to be 0.5 solar mass.

Kuiper, T. B. H.↗

NASA NTRS1978

Turbulent transport model of wind shear in thunderstorm gust fronts and warm fronts

A model of turbulent flow in the atmospheric boundary layer was used to simulate the low-level wind and turbulence profiles associated with both local thunderstorm gust fronts and synoptic-scale warm fronts. Dimensional analyses of both type fronts provided the physical scaling necessary to permit normalized simulations to represent fronts for any temperature jump. The sensitivity of the thunderstorm gust front to five different dimensionless parameters as well as a change from axisymmetric to planar geometry was examined. The sensitivity of the warm front to variations in the Rossby number was examined. Results of the simulations are discussed in terms of the conditions which lead to wind shears which are likely to be most hazardous for aircraft operations.

Lewellen, W. S.↗

NASA NTRS1989

Far ultraviolet observations of hot DA white dwarfs

Far ultraviolet (FUV) fluxes have been used for determining the effective temperatures of a number of DA white dwarfs hotter than 20,000 K. The analysis consisted of comparing the observed FUV fluxes with model fluxes scaled to the V-band flux. After suitable corrections were performed for the time-dependent sensitivity degradation of the IUE, it was found that the available flux calibrations for the IUE were insufficiently accurate for precise temperature determinations. Accordingly, seven white dwarfs for which accurate, independent temperature determinations were made from line profile analyses were used to improve the accuracy of the IUE flux calibration. The correction to the original calibration was as great as 20 percent in individual 5-A wavelength bins, while the average over the IUE wavelength range was 5 percent. Both the IUE flux correction and the temperatures obtained for the hot white dwarfs are presented.

Finley, David↗

NASA NTRS1992

Propagation of planetary waves between the troposphere and stratosphere

The propagation of planetary waves between the troposphere and stratosphere is investigated using a linear, time-dependent, primitive equation model. It is found that the tropopause acts like a valve for the propagation of planetary waves. The key parameters controlling the valve are the vertical gradient of buoyancy frequency and the vertical shear of the zonal winds at the tropopause. For a given wind profile smaller gradient of buoyancy frequency enhances the propagation of planetary waves. For a given profile of buoyancy frequency the larger the shear, the more the wave activity is trapped in the troposphere, and therefore, there is less left to propagate into the stratosphere. The transmission across the tropopause is, however, not sensitive to zonal winds in the upper stratosphere. The propagation of planetary waves is very sensitive to transience. More transient waves propagate more vertically within the troposphere, and for more transient waves, more wave activity is transferred into the stratosphere from the troposphere.

Chen, Ping↗

NASA NTRS2003

N2O and NOy

The principal loss processes for ozone in the stratosphere are either directly or indirectly closely coupled to the abundance and distribution of reactive oxides of nitrogen (NOy). The main source of NOy in the stratosphere is N2O, a trace gas that is changing significantly as a result of anthropogenic forcing. Thus diagnosis of the distributions of N2O, NOy, and their coupling is required to evaluate any chemistry-climate model aspiring to accurately simulate ozone change. In the NASA Assessment of the Effects of High-speed Aircraft in the Stratosphere: 1998 we found that the sensitivity of various models ozone to perturbation did correspond consistently with their background NOy distribution. Coordinated NOy and N2O mixing ratio distributions are available from observations: ER-2 aircraft in the lower stratosphere and ATMOS and balloon profiles to higher altitudes at a subset of latitudes and seasons. Although close comparison to these diagnostics is crucial, unfortunately the distributions are due to a combination of transport and chemical processes, and isolating the source of differences is not always simple. However, in combination with other transport and photochemical diagnostics, comparison with N2O and NOy can be very instructive in evaluation of model processes and performance.

Kawa, S. R.↗

NASA NTRS2012

Global Assimilation of EOS-Aura Data as a Means of Mapping Ozone Distribution in the Lower Stratosphere and Troposphere

Ozone in the lower stratosphere and the troposphere plays an important role in forcing the climate. However, the global ozone distribution in this region is not well known because of the sparse distribution of in-situ data and the poor sensitivity of satellite based observations to the lowermost of the atmosphere. The Ozone Monitoring Instrument (OMI) and Microwave Limb Sounder (MLS) instruments on EOS-Aura provide information on the total ozone column and the stratospheric ozone profile. This data has been assimilated into NASA s Global Earth Observing System, Version 5 (GEOS-5) data assimilation system (DAS). We will discuss the results of assimilating three years of OMI and MLS data into GEOS-5. This data was assimilated alongside meteorological observations from both conventional sources and satellite instruments. Previous studies have shown that combining observations from these instruments through the Trajectory Tropospheric Ozone Residual methodology (TTOR) or using data assimilation can yield useful, yet low biased, estimates of the tropospheric ozone budget. We show that the assimilated ozone fields in this updated version of GEOS-5 exhibit an excellent agreement with ozone sonde and High Resolution Dynamics Limb Sounder (HIRDLS) data in the lower stratosphere in terms of spatial and temporal variability as well as integrated ozone abundances. Good representation of small-scale vertical features follows from combining the MLS data with the assimilated meteorological fields. We then demonstrate how this information can be used to calculate the Stratosphere - Troposphere Exchange of ozone and its contribution to the tropospheric ozone column in GEOS-5. Evaluations of tropospheric ozone distributions from the assimilation will be made by comparisons with sonde and other in-situ observations.

Wargan, Krzysztof↗

NASA NTRS2016

Airborne In-Situ Measurements of Formaldehyde Over California: One Year of Results from the Compact Formaldehyde Fluorescence Experiment (COFFEE) Instrument

Formaldehyde (HCHO) is one of the most abundant oxygenated volatile organiccompounds (VOCs) in the atmosphere, playing a role in multiple atmosphericprocesses, such as ozone (O3) production in polluted environments. Due toits short lifetime of only a few hours in daytime, HCHO also serves astracer of recent photochemical activity. While photochemical oxidation ofnon-methane hydrocarbons is the dominant source, HCHO can also be emitteddirectly from fuel combustion, vegetation, and biomass burning. The CompactFormaldehyde FluorescencE Experiment (COFFEE) instrument was built forintegration onto the Alpha Jet Atmospheric eXperiment (AJAX) payload, basedout of NASAs Ames Research Center (Moffett Field, CA). Using Non-ResonantLaser Induced Fluorescence (NR-LIF), trace concentrations of HCHO can bedetected with a sensitivity of 200 parts per trillion.Since its first research flight in December 2015, COFFEE has successfullyflown on more than 20 science missions throughout California and Nevada.Presented here are results from these flights, including boundary layermeasurements and vertical profiles throughout the tropospheric column.Californias San Joaquin Valley is a primary focus, as this region is knownfor its elevated levels of HCHO as well as O3. Measurements collected inwildfire plumes, urban centers, agricultural lands, and on and off shorecomparisons will be presented. In addition, the correlation of HCHO to othertrace gases also measured by AJAX, including O3, methane, carbon dioxide,and water vapor will also be shown. Lastly, the implications of these HCHOmeasurements on calibration and validation of remote sensing data collectedby NASAs OMI (Aura) and OMPS (SuomiNPP) satellites will be addressed.

wildfire↗

NASA NTRSDate not supplied

Modeling and Analysis of Stirling Power Convertors

Modeling and Analysis of Stirling Power Convertors Luis A. Rodriguez1 Steven M. Geng, Terry V. Reid, Scott D. Wilson NASA Glenn Research Center, Cleveland, OH, 44135, USA NASA Glenn’s Thermal Energy Conversion Branch is supporting the development of the next generation free-piston Stirling power convertors. American Superconductor (AMSC) and Sunpower Inc. are the two firms under contract to develop the Flexure Isotope Stirling Convertor (FISC) and the Sunpower Robust Stirling Convertor (SRSC), respectively. To comprehend and forecast convertor performance, Sage, ANSYS® Maxwell, and ANSYS® Fluent were used to model the Stirling thermodynamic cycle, alternator electromagnetics, and piston and displacer dynamics. I. Introduction Stirling convertors are being developed by NASA as a potential steady source of electrical power for NASA’s future scientific space missions. Currently, NASA Glenn Research Center has two corporations under contract, American Superconductor (AMSC) and Sunpower Inc., for the development of the next generation of free-piston Stirling convertors for dynamic radioisotope power systems. AMSC is developing the Flexure Isotope Stirling Convertor (FISC), which uses flexures to prevent side motion and rubbing of the piston. Similarly, Sunpower Inc, is developing the Sunpower Robust Stirling Convertor (SRSC). The SRSC uses gas bearings to prevent radial contact of the moving piston. As convertor development continues, it is increasingly important to understand and predict the interactions of components in the system, how they respond to one another, and how they perform as a response to changes in operating conditions. A suitable and enlightening way to demonstrate and foresee these interactions is with the use of accurate modeling software. Sage, ANSYS® Maxwell, and ANSYS® Fluent are the current modeling tools used by NASA to analytically determine convertor performance. Sage is a one-dimensional object-oriented commercial software package used for modeling and optimizing Stirling convertors for Dynamic Radioisotope Power Systems (DRPS) and it is one of the most accurate Stirling convertor codes in use by NASA. This code is the successor to GLIMPS (Globally-Implicit Stirling Cycle Simulation) and GLOP (GLIMPS Optimization) software created by Gedeon Associates [1]. Model input parameters are typically material/gas type, component physical dimensions, temperatures, frequency, charge pressure, and number of time/space nodes. Sage is used to model both the FISC’s and SRSC’s Stirling cycle thermodynamics and piston/displacer dynamics. Performance maps were created and analyzed for both power systems to better understand the relationship between the following conditions: cold-end temperature, hot-end temperature, piston/displacer amplitudes, pressure drop, and thermal input power. The synergy between these conditions will help determine parameter sensitivity. ANSYS® Maxwell was used to create a three-dimensional (3-D) axisymmetric model for both FISC and SRSC alternators. The significant physical components included in each model are the magnets, magnet carrier, outer/inner laminations, and the coil. Inputs to the model are piston amplitude, piston frequency, alternator load, coil resistance, tuning capacitance, and specific material properties. The alternator models calculate terminal voltage, current, piston/current phase, voltage/current phase, coil inductance, terminal power and efficiency. The RI2 losses, core (hysteresis and eddy) losses, and magnet/can eddy losses are also a part of the final results. ANSYS® Fluent is used to build 3-D computational fluid dynamic (CFD) models to examine the Stirling cycle thermodynamics for both the FISC and SRSC systems. Three-dimensional Computer Aided Design (CAD) models were used to create the physical components of each convertor. Steady-state simulations were conducted for hardware testing, prediction of environmental losses during testing, and generation of radiation look-up tables. The model inputs to the aforementioned analysis are the material properties and boundary thermal conditions. The steady-state model calculates temperature and heat flow distributions. Transient 3-D calculations were also part of the CFD analysis. In this study a physically reduced version of the FISC is used to obtain a prediction of available engine power. For the gas bearing SRSC, the transient effort is used to obtain a prediction of bearing pad performance and its sensitivity to micro-channel geometric variation. The model inputs to the transient simulations are the piston amplitude, displacer amplitude, frequency, displacer/piston phase angle, dynamic deforming CFD grid, temperature boundary conditions, and user defined files describing motion profile of piston/displacer. The results of the model are temperature distributions, heat distributions, and PV power produced at pre-determined conditions.

Luis A Rodriguez↗

DOE OSTI2022

Global Dust Cycle and Direct Radiative Effect in E3SM Version 1: Impact of Increasing Model Resolution

Quantification of dust aerosols in Earth System Models (ESMs) has important implications for water cycle and biogeochemistry studies. This study examines the global life cycle and direct radiative effects (DREs) of dust in the U.S. Department of Energy's Energy Exascale Earth System Model version 1 (E3SMv1), and the impact of increasing model resolution both horizontally and vertically. The default 1° E3SMv1 captures the spatial and temporal variability in the observed dust aerosol optical depth (DAOD) reasonably well, but overpredicts dust absorption in the shortwave (SW). Simulations underestimate the dust vertical and long-range transport, compared with the satellite dust extinction profiles. After updating dust refractive indices and correcting for a bias in partitioning size-segregated emissions, both SW cooling and longwave (LW) warming of dust simulated by E3SMv1 are increased and agree better with other recent studies. The estimated net dust DRE of –0.42 Wm –2 represents a stronger cooling effect than the observationally based estimate –0.2 Wm –2 (–0.48 to +0.2), due to a smaller LW warming. Constrained by a global mean DAOD, model sensitivity studies of increasing horizontal and vertical resolution show strong influences on the simulated global dust burden and lifetime primarily through the change of dust dry deposition rate; there are also remarkable differences in simulated spatial distributions of DAOD, DRE, and deposition fluxes. Thus, constraining the global DAOD is insufficient for accurate representation of dust climate effects, especially in transitioning to higher- or variable-resolution ESMs. Better observational constraints of dust vertical profiles, dry deposition, size, and LW properties are needed.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2022

Global Dust Cycle and Direct Radiative Effect in E3SM Version 1: Impact of Increasing Model Resolution

Quantification of dust aerosols in Earth System Models (ESMs) has important implications for water cycle and biogeochemistry studies. This study examines the global life cycle and direct radiative effects (DREs) of dust in the U.S. Department of Energy's Energy Exascale Earth System Model version 1 (E3SMv1), and the impact of increasing model resolution both horizontally and vertically. The default 1° E3SMv1 captures the spatial and temporal variability in the observed dust aerosol optical depth (DAOD) reasonably well, but overpredicts dust absorption in the shortwave (SW). Simulations underestimate the dust vertical and long-range transport, compared with the satellite dust extinction profiles. After updating dust refractive indices and correcting for a bias in partitioning size-segregated emissions, both SW cooling and longwave (LW) warming of dust simulated by E3SMv1 are increased and agree better with other recent studies. The estimated net dust DRE of −0.42 Wm−2 represents a stronger cooling effect than the observationally based estimate −0.2 Wm−2 (−0.48 to +0.2), due to a smaller LW warming. Constrained by a global mean DAOD, model sensitivity studies of increasing horizontal and vertical resolution show strong influences on the simulated global dust burden and lifetime primarily through the change of dust dry deposition rate; there are also remarkable differences in simulated spatial distributions of DAOD, DRE, and deposition fluxes. Thus, constraining the global DAOD is insufficient for accurate representation of dust climate effects, especially in transitioning to higher- or variable-resolution ESMs. Better observational constraints of dust vertical profiles, dry deposition, size, and LW properties are needed.

dust aerosol↗

NASA NTRS2017

New-Generation NASA Aura Ozone Monitoring Instrument (OMI) Volcanic SO2 Dataset: Algorithm Description, Initial Results, and Continuation with the Suomi-NPP Ozone Mapping and Profiler Suite (OMPS)

Since the fall of 2004, the Ozone Monitoring Instrument (OMI) has been providing global monitoring of volcanic SO2 emissions, helping to understand their climate impacts and to mitigate aviation hazards. Here we introduce a new-generation OMI volcanic SO2 dataset based on a principal component analysis (PCA) retrieval technique. To reduce retrieval noise and artifacts as seen in the current operational linear fit (LF) algorithm, the new algorithm, OMSO2VOLCANO, uses characteristic features extracted directly from OMI radiances in the spectral fitting, thereby helping to minimize interferences from various geophysical processes (e.g., O3 absorption) and measurement details (e.g., wavelength shift). To solve the problem of low bias for large SO2 total columns in the LF product, the OMSO2VOLCANO algorithm employs a table lookup approach to estimate SO2 Jacobians (i.e., the instrument sensitivity to a perturbation in the SO2 column amount) and iteratively adjusts the spectral fitting window to exclude shorter wavelengths where the SO2 absorption signals are saturated. To first order, the effects of clouds and aerosols are accounted for using a simple Lambertian equivalent reflectivity approach. As with the LF algorithm, OMSO2VOLCANO provides total column retrievals based on a set of predefined SO2 profiles from the lower troposphere to the lower stratosphere, including a new profile peaked at 13 km for plumes in the upper troposphere. Examples given in this study indicate that the new dataset shows significant improvement over the LF product, with at least 50% reduction in retrieval noise over the remote Pacific. For large eruptions such as Kasatochi in 2008 (approximately 1700 kt total SO2/ and Sierra Negra in 2005 (greater than 1100DU maximum SO2), OMSO2VOLCANO generally agrees well with other algorithms that also utilize the full spectral content of satellite measurements, while the LF algorithm tends to underestimate SO2. We also demonstrate that, despite the coarser spatial and spectral resolution of the Suomi National Polar-orbiting Partnership (Suomi-NPP) Ozone Mapping and Profiler Suite (OMPS) instrument, application of the new PCA algorithm to OMPS data produces highly consistent retrievals between OMI and OMPS. The new PCA algorithm is therefore capable of continuing the volcanic SO2 data record well into the future using current and future hyperspectral UV satellite instruments.

OMI↗

DOE OSTI2023

Integration of Biorelevant Pediatric Dissolution Methodology into PBPK Modeling to Predict In Vivo Performance and Bioequivalence of Generic Drugs in Pediatric Populations: a Carbamazepine Case Study

This study investigated the impact of gastro-intestinal fluid volume and bile salt (BS) concentration on the dissolution of carbamazepine (CBZ) immediate release (IR) 100 mg tablets and to integrate these in vitro biorelevant dissolution profiles into physiologically based pharmacokinetic modelling (PBPK) in pediatric and adult populations to determine the biopredictive dissolution profile. Dissolution profiles of CBZ IR tablets (100 mg) were generated in 50–900 mL biorelevant adult fasted state simulated gastric and intestinal fluid (Ad-FaSSGF and Ad-FaSSIF), also in three alternative compositions of biorelevant pediatric FaSSGF and FaSSIF medias at 200 mL. This study found that CBZ dissolution was poorly sensitive to changes in the composition of the biorelevant media, where dissimilar dissolution (F2 = 46.2) was only observed when the BS concentration was changed from 3000 to 89 μM (Ad-FaSSIF vs Ped-FaSSIF 50% 14 BS). PBPK modeling demonstrated the most predictive dissolution volume and media composition to forecast the PK was 500 mL of Ad-FaSSGF/Ad-FaSSIF media for adults and 200 mL Ped-FaSSGF/FaSSIF media for pediatrics. A virtual bioequivalence simulation was conducted by using Ad-FaSSGF and/or Ad-FaSSIF 500 mL or Ped-FaSSGF and/or Ped-FaSSIF 200 mL dissolution data for CBZ 100 mg (reference and generic test) IR product. The CBZ PBPK models showed bioequivalence of the product. This study demonstrates that the integration of biorelevant dissolution data can predict the PK profile of a poorly soluble drug in both populations. Further work using more pediatric drug products is needed to verify biorelevant dissolution data to predict the in vivo performance in pediatrics.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1995

Ozone vertical distribution retrieval from ground-based high resolution infrared solar spectra

A practical procedure for the retrieval of ozone vertical profiles from ground-based high resolution Fourier transform infrared solar spectra has been developed. The analysis is based on a multilayer line-by-line forward model and a semi-empirical version of the optimal estimation inversion method of Rodgers. The 1002.6-1003.2 cm(exp -1) spectral interval has been selected for the analysis on the basis of synthetic spectrum calculations. This interval contains numerous ozone lines covering a range of intensities and providing retrieval sensitivity from ground level to about 35 km. Characterization of the method and an error analysis have been performed. For a spectral resolution of 0.05-0.01 cm(exp -1) and a signal-to-noise ratio greater than or equal to 100 the retrieval is stable with a vertical resolution of approximately 5 km attainable near the surface degrading to approximately 10 km in the stratosphere. Synthetic spectra studies show that the a priori profile and weak constraints selected for the retrievals introduce no significant biases for a wide range of ozone profiles.

Pougatchev, N. S.↗