Comprehensive understanding of new particle formation in China through advanced modeling
Explore the source record for details and available documents.
Shen, Jiewen↗
Engineering topics
Zhao, Bin
Publications and source records attributed to Zhao, Bin.
Roles of precursor availability and secondary organic aerosol in new particle formation at Bankhead National Forest in spring and summer 2025
Explore the source record for details and available documents.
June, Nicole A.↗
Discovery of Macrocyclic Myeloid Cell Leukemia 1 (Mcl-1)Inhibitors that Demonstrate Potent Cellular Efficacy and In Vivo Activity in a Mouse Solid Tumor Xenograft Model
Abstract The B cell lymphoma 2 (Bcl-2) family of proteins are key regulators of intrinsic apoptosis. The antiapoptotic protein myeloid cell leukemia 1 (Mcl-1), which is associated with high tumor grade, poor survival, and resistance to treatment, has emerged as a promising candidate for treating hematological and solid cancers. Herein, we report the structure-guided design of small molecule macrocyclic Mcl-1 inhibitors based on the (R)-methyl-dihydropyrazinoindolone scaffold our group has previously disclosed. The macrocyclic inhibitors bind Mcl-1 with subnanomolar affinity and offer improved potency in cell culture growth inhibition assays. Inhibitor 13 achieved tumor regression in a lung cancer-derived tumor xenograft model in mice as a monotherapy. The improved potency of the macrocyclic series allowed replacement of heretofore conserved indole carboxylic acid moiety, resulting in neutral inhibitors. Amide inhibitor 25 displayed a >10-fold increase in oral bioavailability as compared to acid-containing macrocyclic or acyclic inhibitors.
Pharmacology & Pharmacy↗
Kinetic Modeling of Secondary Organic Aerosol in a Weather-Chemistry Model: Parameterizations, Processes, and Predictions for GOAmazon
Secondary organic aerosol (SOA) forms and evolves in the atmosphere through many pathways and processes, over diverse spatial and time scales. Hence, there is a need to represent these widely-varying kinetic processes in large-scale atmospheric models to allow for accurate predictions of the abundance, properties, and impacts of SOA. In this work, we integrated a kinetic, process-level model (simpleSOM-MOSAIC) into a weather-chemistry model (WRF-Chem) to simulate the oxidation chemistry and microphysics of atmospheric SOA. simpleSOM-MOSAIC simulates multigenerational gas-phase chemistry, autoxidation reactions, heterogeneous oxidation, oligomerization, and phase-state-influenced gas/particle partitioning of SOA. As a case study, the integrated WRF-Chem-simpleSOM-MOSAIC (WC-SSM) model was used to simulate the photochemical evolution downwind of a large city (Manaus, Brazil) in the Amazon and, in turn, study the anthropogenic and biogenic interactions in an otherwise pristine environment. Consistent with previous work, we found that OA was enhanced by up to a factor of four in the urban plume due to elevated hydroxyl radical (OH) concentrations, relative to the background, and that this OA was dominated by SOA from biogenic precursors (80%). Further, in addition to accurately simulating the OA enhancement in the urban plume, the model reproduced the magnitude of the OA oxygen-to-carbon (O:C) ratio and broadly tracked the evolution of the aerosol size distribution. Our work highlights the importance of including an integrated, kinetic representation of SOA processes in an atmospheric model
54 ENVIRONMENTAL SCIENCES↗
Thermodynamically constrained retrieval algorithm to estimate subpixel fire properties
Explore the source record for details and available documents.
Zhang, Chenchong↗
Anthropogenic extremely low volatility organics (ELVOCs) Govern the Growth of Molecular Clusters over the Southern Great Plains during the Springtime
New particle formation (NPF) and growth govern cloud condensation nuclei (CCN) concentrations in many regions. The mechanisms governing the nucleation of molecular clusters vary substantially in different regions of the atmosphere. Additionally, the growth of these clusters from ~2 to 20 nm sizes is often governed by the availability of extremely low volatility organic vapours (ELVOCs). While the pathways to ELVOC formation from the oxidation of biogenic monoterpenes with ozone is better understood, the chemical and mechanistic pathways for ELVOC formation from oxidation of anthropogenic organics are not well understood. We integrate measurements and three-dimensional regional model simulations with the Weather Research and Forecasting Model coupled to chemistry (WRF-Chem) to understand the processes governing new particle formation and growth and secondary organic aerosol (SOA) formation during the Holistic Interactions of Shallow Clouds, Aerosols and Land Ecosystems (HI-SCALE) field campaign at the Southern Great Plains (SGP) observatory in Oklahoma, and contrast it with a site within the Bankhead National Forest (BNF), Alabama in Southeast USA, where 5-year long measurements will begin in 2024. Simulations show that nucleation rates are at least an order of magnitude higher at SGP compared to BNF during the springtime days (April 28 and May 14, 2016), largely due to lower H2SO4 concentrations at BNF, which are needed for nucleation. In addition, the larger CS at BNF (compared to SGP) increase the loss of molecular clusters by coagulation to pre-existing particles. Among the 8 different nucleation mechanisms in WRF-Chem, we find that the amine+H2SO4 nucleation mechanism dominates at the SGP site, while the pure organic ion induced nucleation mechanism dominates over BNF. Through various WRF-Chem sensitivity simulations, we find that anthropogenic ELVOCs are critical for explaining the growth of newly formed particles and the resulting number size distribution observed near the surface at the SGP site during the daytime. In addition, we show that treating organic particles as semisolid, with strong diffusion-limited uptake of organic vapours, brings model predictions into closer agreement with the observed evolution of particle size distribution. Simulations also predict that anthropogenic SOA, formed by the oxidation of aromatic volatile organic compounds (VOCs), is the dominant organic aerosol component at SGP, while biogenic SOA dominates particle composition at the BNF site in Southeast USA on these days.
Shrivastava, ManishKumar B.↗
An Introduction to the NASA GMAO Coupled Atmosphere-Ocean System - GEOS-S2S Version 3
Recently NASA's Global Modeling and Assimilation Office (GMAO) has developed a new Subseasonal to Seasonal Prediction system Version 3 (GEOS-S2S-3). This upgrade replaces the GEOS-S2S-2 which is NASA's current contribution to the North American Multi-Model Experiment seasonal prediction project (Kirtman et al., 2014). The main improvements for our S2S-3 system include 1) a higher resolution MOM5 (Griffies et al., 2005) ocean model (now 0.25o x 0.25o x 50 layers), 2) an improved atmospheric/ocean interface layer (Akella and Suarez, 2018), and 3) assimilation of a long-track satellite salinity into the ocean model (Hackert et al, 2019). Atmospheric forcing is provided by the NASA MERRA-2 reanalysis (Gelaro et al., 2017). Initialization for the ocean relies on the GMAO ocean reanalysis system which assimilates all available in situ temperature and salinity, satellite sea surface salinity, and sea level using the Local Ensemble Transform Kalman Filter (LETKF) implementation of (Penny et al., 2013) on a 5 day assimilation cycle with 20 fixed ensemble members.In this presentation, we will authenticate our new S2S-3 ocean reanalysis using standard GODAE validation metrics. For example, we will compare gridded fields of mean and standard deviation of the ocean reanalysis versus observed fields. We will show correlation/RMS of model versus observations and temperature and salinity mean profiles for the various basins and latitude bands. Basin-scale volume transports, such as the Atlantic Meridional Overturning Circulation and the Indonesian Throughflow will be validated. Equatorial ocean waves will be compared by decomposing sea level into Kelvin and Rossby components. For each of these metrics, we plan to validate the results and then compare our new S2S-3 against the current production version, S2S-2. Finally, we will compare 9-month seasonal forecasts initialized from these two systems for the tropical Pacific NINO3.4 region over the period 1981-present.
Molod, Andrea↗
GEOS S2S Version 3: The New NASA/GMAO High Resolution Seasonal Prediction System
The NASA/Goddard Global Modeling and Assimilation Office (GMAO) released Version 2 of the Subseasonal to Seasonal (GEOS-S2S) forecast system in the fall of 2017, and it has been producing near-real time subseasonal to seasonal forecasts and a weakly coupled atmosphere-ocean data assimilation record since then. A new version of the coupled modeling and analysis system (Version 3) was released by the GMAO at the end of 2019. The new version runs at higher oceanic resolution than the previous (approximately 1/2 degree for the atmosphere, 1/4 degree for the ocean), and includes interactive earth system model components not typically present in seasonal prediction systems (two moment cloud microphysics for aerosol indirect effect and an interactive aerosol model). The weakly coupled atmosphere-ocean data assimilation system now includes assimilation of sea surface salinity, that has been shown to result in improved ocean mixed layer simulation and ENSO prediction skill.
Molod, Andrea↗
Recent Antarctic Sea Ice Extent Variability and Its Relation to Atmospheric Circulation in Reanalyses and Seasonal Forecasts
Sea ice is considered an important indicator of climate change. Interest has focused on the trend towards reduced sea ice cover in the Arctic Ocean, particularly during summer months. In the Southern Hemisphere, sea ice has also received attention due to a trend towards increasing cover, in opposition to the Northern Hemisphere and to climate model projections. This all changed in the austral spring 2016, when the Southern Ocean sea ice cover dropped dramatically, and has remained consistently at below average values up to the present. Here I review some of the issues and perceived causes of the 2016 sea ice reduction. Several studies have suggested a change in surface winds, which would allow warmer waters to move upwards in the water column and towards the surface. Results from the GMAO (Global Modeling and Assimilation Office) ocean data assimilation system are consistent with this hypothesis, and indicate a significant warming of subsurface waters occurred in the winter of 2016, and has remained in place.
Polar↗
GEOS S2S-2_1: The GMAO High Resolution Seasonal Prediction System
A new version of the coupled modeling and analysis system used to produce near real time subseasonal to seasonal forecasts was recently released by the NASA/Goddard Global Modeling and Assimilation Office. The new version runs at higher atmospheric resolution than the previous, (approximately 1/2 degree globally), contains a substantially improved model description of the cryosphere, and includes additional interactive earth system model components (aerosol model). In addition, the Ocean data assimilation system has been replaced with a Local Ensemble Transform Kalman Filter, and now includes the assimilation of along-track sea surface height. Here will describe the new system, along with the plans for the future (GEOS S2S-3_0) which will include a higher resolution ocean model and more interactive earth system model components (interactive vegetation, biomass burning from fires). We will also present results from a series of retrospective seasonal forecasts. Results show significant improvements in surface temperatures over much of the northern hemisphere and a much improved prediction of sea ice extent in both hemispheres. Analysis of the ensemble spread shows improvements relative to the previous system, including generally better reliability. The precipitation forecast skill is comparable to previous S2S systems, and the only tradeoff is an increased "double ITCZ", which is expected as we go to higher atmospheric resolution.
Molod, Andrea↗
NASA GMAO GEOS S2S Prediction System: Metrics, Post-Processing and Products
In this presentation we present an overview of the GMAO Sub-Seasonal and Seasonal Prediction System, current users and products, and methods for validation and evaluation of the system. Methods for evaluation include baseline evaluations metrics, the ability to simulate key modes of variability, and evaluation of new development areas.
Molod, Andrea M.↗
NASA GMAO S2S Prediction System Hindcast and Near-Real Time Operations Strategy
In this presentation we present an overview of the GMAO Sub-Seasonal and Seasonal Prediction System with a focus on the computing time and resources and actual time it takes to complete a full set of hindcasts. The goal is to come up with some solutions to allow us to run more ensemble members for the next version of the system which will be higher resolution and take many more resources.
Kovach, Robin↗
Understanding Arctic Surface Temperature Differences in Reanalyses
Reanalyses in the Arctic are widely used for model evaluation and for understanding contemporary climate change. Nevertheless, differences among reanalyses in fundamental meteorological variables including surface air temperature are large. For example, the 1980-2009 mean surface air temperature for the north polar cap (70ÂdegN-90ÂdegN) among global reanalyses span a range of 2.4 K, which approximates the average warming trend from these reanalyses over the 30-year period of 2.1 K. Understanding these differences requires evaluation over the three principal surface domains of the Arctic: glaciated land, the unglaciated terrestrial surface, and sea ice/ocean. An examination is conducted of contemporary global reanalyses of the ECMWF Interim project, NASA MERRA, MERRA-2, JRA-55, and NOAA CFSR using available in situ data and assessments of the surface energy budget. Overly-simplistic representations of the Greenland Ice Sheet surface are found to be associated with local warm air temperature biases in winter. A review of progress made in the development of the MERRA-2 land-ice representation is presented. Large uncertainty is also found in temperatures over the Arctic tundra and boreal forest zone. But a key focus of temperature differences for northern high latitudes is the Arctic Ocean. Near-surface air temperature differences over the Arctic Ocean are found to be related to discrepancies in sea ice and sea surface temperature boundary data, which are severely compromised in current reanalyses. Issues with the modeled representation of sea ice cover are an additional factor in reanalysis temperature trends. Differences in the representation of the surface energy budget among the various reanalyses are also reviewed.
Surface Temperatur↗
GEOS S2S-2_1: GMAO's New High Resolution Seasonal Prediction System
A new version of the modeling and analysis system used to produce sub-seasonal to seasonal forecasts has just been released by the NASA Goddard Global Modeling and Assimilation Office. The new version runs at higher atmospheric resolution (approximately 12 degree globally), contains a substantially improved model description of the cryosphere, and includes additional interactive earth system model components (aerosol model). In addition, the Ocean data assimilation system has been replaced with a Local Ensemble Transform Kalman Filter. Here will describe the new system, along with the plans for the future (GEOS S2S-3_0) which will include a higher resolution ocean model and more interactive earth system model components (interactive vegetation, biomass burning from fires). We will also present results from a free-running coupled simulation with the new system and results from a series of retrospective seasonal forecasts. Results from retrospective forecasts show significant improvements in surface temperatures over much of the northern hemisphere and a much improved prediction of sea ice extent in both hemispheres. The precipitation forecast skill is comparable to previous S2S systems, and the only trade off is an increased double ITCZ, which is expected as we go to higher atmospheric resolution.
Molod, Andrea↗
Understanding Arctic Surface Temperature Differences in Reanalyses
Reanalyses in the Arctic are widely used for model evaluation and for understanding contemporary climate change. Nevertheless, differences among reanalyses in fundamental meteorological variables including surface air temperature are large. A review of surface temperature differences is presented with a particular focus on differences in contemporary reanalyses. An important consideration is the significant differences in Arctic surfaces, including the central Arctic Ocean, the Greenland Ice Sheet, and non-glaciated land. While there is significant correlation among reanalyses in annual time series, there is substantial disagreement in mean values. For the period 1980-2013, the trend in annual temperature ranges from 0.3 to 0.7K per decade. Over the central Arctic Ocean, differences in mean values and trends are larger. Most of the uncertainty is associated with winter months. This is likely associated with the constraint imposed by melting processes (i.e. 0 deg. Celsius), rather than seasonal changes to the observing system.
Sea Ic↗
Sea Ice Outlook for September 2017 July Report - NASA Global Modeling and Assimilation Office
The GMAO seasonal forecast is produced from coupled model integrations that are initialized every five days, with seven additional ensemble members generated by coupled model breeding and initialized on the date closest to the beginning of the month. The main components of the AOGCM are the GEOS-5 atmospheric model, the MOM4 ocean model, and CICE sea ice model. Forecast fields were re-gridded to the passive microwave grid for averaging.
Arctic↗
Sea Ice Outlook for September 2017: June Report - NASA Global Modeling and Assimilation Office
The GMAO seasonal forecast is produced from coupled model integrations that are initialized every five days, with seven additional ensemble members generated by coupled model breeding and initialized on the date closest to the beginning of the month. The main components of the AOGCM are the GEOS-5 atmospheric model, the MOM4 ocean model, and CICE sea ice model. Forecast fields were re-gridded to the passive microwave grid for averaging.
Sea Ice↗
Land Boundary Conditions for the Goddard Earth Observing System Model Version 5 (GEOS-5) Climate Modeling System: Recent Updates and Data File Descriptions
The Earths land surface boundary conditions in the Goddard Earth Observing System version 5 (GEOS-5) modeling system were updated using recent high spatial and temporal resolution global data products. The updates include: (i) construction of a global 10-arcsec land-ocean lakes-ice mask; (ii) incorporation of a 10-arcsec Globcover 2009 land cover dataset; (iii) implementation of Level 12 Pfafstetter hydrologic catchments; (iv) use of hybridized SRTM global topography data; (v) construction of the HWSDv1.21-STATSGO2 merged global 30 arc second soil mineral and carbon data in conjunction with a highly-refined soil classification system; (vi) production of diffuse visible and near-infrared 8-day MODIS albedo climatologies at 30-arcsec from the period 2001-2011; and (vii) production of the GEOLAND2 and MODIS merged 8-day LAI climatology at 30-arcsec for GEOS-5. The global data sets were preprocessed and used to construct global raster data files for the software (mkCatchParam) that computes parameters on catchment-tiles for various atmospheric grids. The updates also include a few bug fixes in mkCatchParam, as well as changes (improvements in algorithms, etc.) to mkCatchParam that allow it to produce tile-space parameters efficiently for high resolution AGCM grids. The update process also includes the construction of data files describing the vegetation type fractions, soil background albedo, nitrogen deposition and mean annual 2m air temperature to be used with the future Catchment CN model and the global stream channel network to be used with the future global runoff routing model. This report provides detailed descriptions of the data production process and data file format of each updated data set.
GEOS-5↗