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1. 2-km resolution oversampled NH3 data

Author(s):
Wang, Rui; Guo, Xuehui; Pan, Da; Kelly, James; Bash, Jesse; Sun, Kang; Paulot, Fabien; Clarisse, Lieven; Van Damme, Martin; Whitburn, Simon; Coheur, Pierre-François; Clerbaux, Cathy; Zondlo, Mark
Abstract:
Monthly, high resolution (~2 km) ammonia (NH3) column maps from the Infrared Atmospheric Sounding Interferometer (IASI) were developed across the contiguous United States and adjacent areas. Ammonia hotspots (95th percentile of the column distribution) were highly localized with a characteristic length scale of 12 km and median area of 152 km2. Five seasonality classes were identified with k-means++ clustering. The Midwest and eastern United States had a broad, spring maximum of NH3 (67% of hotspots in this cluster). The western United States, in contrast, showed a narrower mid-summer peak (32% of hotspots). IASI spatiotemporal clustering was consistent with those from the Ammonia Monitoring Network. CMAQ and GFDL-AM3 modeled NH3 columns have some success replicating the seasonal patterns but did not capture the regional differences. The high spatial-resolution monthly NH3 maps serve as a constraint for model simulations and as a guide for the placement of future, ground-based network sites.
Type:
Dataset
Issue Date:
December 2020

2. 60 degree Inclined Pulsar

Abstract:
Current sheet and open field lines with footpoints near the edge of the polar cap. The magnetic axis is inclined relative to the rotation axis by 60 degrees. Red field lines originate on the north polar cap and green field lines in the right panel originate on the south polar cap. Purple and grey colors indicate positive and negative net local charge density in the current sheet, which is shown between 1.2-2 light cylinder radii.
Type:
moving image
Issue Date:
21 November 2013

3. 90 degree Inclined Pulsar

Abstract:
Current sheet and open field lines with footpoints near the edge of the polar cap. The magnetic axis is inclined relative to the rotation axis by 90 degrees. Red field lines originate on the north polar cap and green field lines in the right panel originate on the south polar cap. Purple and grey colors indicate positive and negative net local charge density in the current sheet, which is shown between 1.2-2 light cylinder radii.
Type:
moving image
Issue Date:
21 November 2013

4. A dual-mechanism antibiotic kills Gram-negative bacteria and avoids drug resistance

Author(s):
Martin, James K; Sheehan, Joseph P; Bratton, Benjamin P; Moore, Gabriel M; Mateus, André; Li, Sophia Hsin-Jung; Kim, Hahn; Rabinowitz, Joshua D; Typas, Athanasios; Savitski, Mikhail M; Wilson, Maxwell Z; Gitai, Zemer
Abstract:
The rise of antibiotic resistance and declining discovery of new antibiotics have created a global health crisis. Of particular concern, no new antibiotic classes have been approved for treating Gram-negative pathogens in decades. Here, we characterize a compound, SCH-79797, that kills both Gram-negative and Gram-positive bacteria through a unique dual-targeting mechanism of action (MoA) with undetectably-low resistance frequencies. To characterize its MoA, we combined quantitative imaging, proteomic, genetic, metabolomic, and cell-based assays. This pipeline demonstrates that SCH-79797 has two independent cellular targets, folate metabolism and bacterial membrane integrity, and outperforms combination treatments in killing MRSA persisters. Building on the molecular core of SCH-79797, we developed a derivative, Irresistin-16, with increased potency and showed its efficacy against Neisseria gonorrheae in a mouse vaginal infection model. This promising antibiotic lead suggests that combining multiple MoAs onto a single chemical scaffold may be an underappreciated approach to targeting challenging bacterial pathogens.
Type:
Dataset
Issue Date:
20 May 2020

5. Accessing Real-Life Episodic Information from Minutes versus Hours Earlier Modulates Hippocampal and High-Order Cortical Dynamics

Author(s):
Chen, Janice; Honey, Christopher; Simony, Erez; Arcaro, Michael; Norman, Kenneth; Hasson, Uri
Abstract:
It is well known that formation of new episodic memories depends on hippocampus, but in real-life settings (e.g., conversation), hippocampal amnesics can utilize information from several minutes earlier. What neural systems outside hippocampus might support this minutes-long retention? In this study, subjects viewed an audiovisual movie continuously for 25 min; another group viewed the movie in 2 parts separated by a 1-day delay. Understanding Part 2 depended on retrieving information from Part 1, and thus hippocampus was required in the day-delay condition. But is hippocampus equally recruited to access the same information from minutes earlier? We show that accessing memories from a few minutes prior elicited less interaction between hippocampus and default mode network (DMN) cortical regions than accessing day-old memories of identical events, suggesting that recent information was available with less reliance on hippocampal retrieval. Moreover, the 2 groups evinced reliable but distinct DMN activity timecourses, reflecting differences in information carried in these regions when Part 1 was recent versus distant. The timecourses converged after 4 min, suggesting a time frame over which the continuous-viewing group may have relied less on hippocampal retrieval. We propose that cortical default mode regions can intrinsically retain real-life episodic information for several minutes.
Type:
Dataset
Issue Date:
3 August 2015

6. Achromonodin-1 NMR spectra

Author(s):
Link, A. James; Carson, Drew V.; So, Larry; Cheung-Lee, Wai Ling
Abstract:
This entry encompasses the raw NMR spectra used to determine the structure of the lasso peptide achromonodin-1. Within one file are included the five following spectra: COSY, TOCSY, NOESY (150 ms mixing time), NOESY (700 ms mixing time), and C,H HSQC. The file requires Mestrenova software to read. These spectra were used to develop the 3D structure models of achromonodin-1 that are deposited at the protein data bank (PDB) as entry 8SVB.
Type:
Dataset
Issue Date:
June 2023

7. Aligned Nonspinning Dipoles

Abstract:
Magnetic field lines and current sheets for an orbiting neutron star binary with the magnetic moments of both stars aligned with the rotation axis. The stars are not spinning, i.e., R_{LC,∗} = ∞. Fields are by and large confined to the half of the magnetosphere closer to their source star. This movie shows the corotating field pattern as the orbit progresses.
Type:
moving image
Issue Date:
21 November 2013

8. Aligned Rapidly Spinning Dipoles

Abstract:
Magnetic field lines and current sheets for an orbiting neutron star binary with the magnetic moments of both stars aligned with the rotation axis. The stars are spinning rapidly at ∼ ms periods, with R_{LC,∗}/R_∗ = 2.7. Stellar spin winds fields backwards toroidally, and they can propagate to the far side of the magnetosphere closer to the opposing star. This movie shows the corotating field pattern as the orbit progresses.
Type:
moving image
Issue Date:
21 November 2013

9. Alternative energy vehicle deployment coupled with decarbonizing electricity generation amplifies climate, air quality and health co-benefits in China

Author(s):
Peng, Liqun; Liu, Feiqi; Zhou, Mi; Li, Mingwei; Zhang, Qiang; Mauzerall, Denise L.
Abstract:
China is the world's largest carbon emitter and suffers from severe air pollution. About one million deaths in China were attributable to air pollution in 2017. Alternative energy vehicles (AEVs), e.g. electric, hydrogen fuel cell, and natural gas vehicles, can help achieve both carbon emission mitigation and air quality improvement. However, climate, air quality and health co-benefit of AEVs powered by deeply decarbonized electricity generation remain poorly quantified. Here, we conduct a quantitative integrated assessment of the air quality, health, carbon emission mitigation and economic benefits of AEV deployment as the electricity grid decarbonizes in China. We find population-weighted annual PM2.5 and summer O3 concentration can decrease as large as 5.7μgm−3 and 4.9ppb. Annual avoided premature mortalities and years of life lost resulting from improved ambient air pollution can be as large as ~329,000 persons and ~1,611,000 years. We thus show that maximizing climate, air quality and health benefits of AEV deployment in China requires rapid decarbonization of the power system.
Type:
Dataset
Issue Date:
17 June 2021

10. Amplification of local changes along the timescale processing hierarchy

Author(s):
Yeshurun, Yaara; Nguyen, Mai; Hasson, Uri
Abstract:
Small changes in word choice can lead to dramatically different interpretations of narratives. How does the brain accumulate and integrate such local changes to construct unique neural representations for different stories? In this study we created two distinct narratives by changing only a few words in each sentence (e.g. “he” to “she” or “sobbing” to “laughing”) while preserving the grammatical structure across stories. We then measured changes in neural responses between the two stories. We found that the differences in neural responses between the two stories gradually increased along the hierarchy of processing timescales. For areas with short integration windows, such as early auditory cortex, the differences in neural responses between the two stories were relatively small. In contrast, in areas with the longest integration windows at the top of the hierarchy, such as the precuneus, temporal parietal junction, and medial frontal cortices, there were large differences in neural responses between stories. Furthermore, this gradual increase in neural difference between the stories was highly correlated with an area’s ability to integrate information over time. Amplification of neural differences did not occur when changes in words did not alter the interpretation of the story (e.g. “sobbing” to “crying”). Our results demonstrate how subtle differences in words are gradually accumulated and amplified along the cortical hierarchy as the brain constructs a narrative over time.
Type:
Dataset
Issue Date:
August 2017

11. An extended MHD study of the 16 October 2015 MMS diffusion region crossing

Abstract:
The Magnetospheric Multiscale (MMS) mission has given us unprecedented access to high cadence particle and field data of magnetic reconnection at Earth's magnetopause. MMS first passed very near an X-line on 16 October 2015, the Burch event, and has since observed multiple X-line crossings. Subsequent 3D particle-in-cell (PIC) modeling efforts of and comparison with the Burch event have revealed a host of novel physical insights concerning magnetic reconnection, turbulence induced particle mixing, and secondary instabilities. In this study, we employ the Gkeyll simulation framework to study the Burch event with different classes of extended, multi-fluid magnetohydrodynamics (MHD), including models that incorporate important kinetic effects, such as the electron pressure tensor, with physics-based closure relations designed to capture linear Landau damping. Such fluid modeling approaches are able to capture different levels of kinetic physics in global simulations and are generally less costly than fully kinetic PIC. We focus on the additional physics one can capture with increasing levels of fluid closure refinement via comparison with MMS data and existing PIC simulations. In particular, we find that the ten-moment model well captures the agyrotropic structure of the pressure tensor in the vicinity of the X-line and the magnitude of anisotropic electron heating observed in MMS and PIC simulations. However, the ten-moment model has difficulty resolving the lower hybrid drift instability, which has been observed to plays a fundamental role in heating and mixing electrons in the current layer.
Type:
Dataset

12. Antialigned Nonspinning Dipoles

Abstract:
Magnetic field lines and current sheets for an orbiting neutron star binary with the magnetic moment of one star aligned with the rotation axis, and the magnetic moment of the other star tilted and antialigned with the rotation axis. The stars are not spinning, i.e., R_{LC,∗} = ∞. Fields from each star encircle the other star and force fields coming off the second star backwards toroidally. This movie shows the corotating field pattern as the orbit progresses.
Type:
moving image
Issue Date:
21 November 2013

13. Antialigned Rapidly Spinning Dipoles

Abstract:
Magnetic field lines and current sheets for an orbiting neutron star binary with the magnetic moment of one star aligned with the rotation axis, and the magnetic moment of the other star tilted and antialigned with the rotation axis. The stars are spinning rapidly at ∼ ms periods, with R_{LC,∗} /R_∗ = 2.7. Stellar spin winds fields backwards toroidally. This movie shows the corotating field pattern as the orbit progresses.
Type:
moving image
Issue Date:
21 November 2013

14. Attentional Modulation of Brain Responses to Primary Appetitive and Aversive Stimuli

Author(s):
Cara L. Buck; Jonathan D. Cohen; Field, Brent; Daniel Kahneman; Samuel M. McClure; Leigh E. Nystrom
Abstract:
Studies of subjective well-being have conventionally relied upon self-report, which directs subjects’ attention to their emotional experiences. This method presumes that attention itself does not influence emotional processes, which could bias sampling. We tested whether attention influences experienced utility (the moment-by-moment experience of pleasure) by using functional magnetic resonance imaging (fMRI) to measure the activity of brain systems thought to represent hedonic value while manipulating attentional load. Subjects received appetitive or aversive solutions orally while alternatively executing a low or high attentional load task. Brain regions associated with hedonic processing, including the ventral striatum, showed a response to both juice and quinine. This response decreased during the high-load task relative to the low-load task. Thus, attentional allocation may influence experienced utility by modulating (either directly or indirectly) the activity of brain mechanisms thought to represent hedonic value.
Type:
Dataset, Software, and text
Issue Date:
11 February 2015

16. Basin-Scale Leakage Risks from Geologic Carbon Sequestration: Impact on Carbon Capture and Storage Energy Market Competitiveness

Abstract:
This three-year project, performed by Princeton University in partnership with the University of Minnesota and Brookhaven National Laboratory, examined geologic carbon sequestration in regard to CO2 leakage and potential subsurface liabilities. The research resulted in basin-scale analyses of CO2 and brine leakage in light of uncertainties in the characteristics of leakage processes, and generated frameworks to monetize the risks of leakage interference with competing subsurface resources. The geographic focus was the Michigan sedimentary basin, for which a 3D topographical model was constructed to represent the hydrostratigraphy. Specifically for Ottawa County, a statistical analysis of the hydraulic properties of underlying sedimentary formations was conducted. For plausible scenarios of injection into the Mt. Simon sandstone, leakage rates were estimated and fluxes into shallow drinking-water aquifers were found to be less than natural analogs of CO2 fluxes. We developed the Leakage Impact Valuation (LIV) model in which we identified stakeholders and estimated costs associated with leakage events. It was found that costs could be incurred even in the absence of legal action or other subsurface interference because there are substantial costs of finding and fixing the leak and from injection interruption. We developed a model framework called RISCS, which can be used to predict monetized risk of interference with subsurface resources by combining basin-scale leakage predictions with the LIV method. The project has also developed a cost calculator called the Economic and Policy Drivers Module (EPDM), which comprehensively calculates the costs of carbon sequestration and leakage, and can be used to examine major drivers for subsurface leakage liabilities in relation to specific injection scenarios and leakage events. Finally, we examined the competitiveness of CCS in the energy market. This analysis, though qualitative, shows that financial incentives, such as a carbon tax, are needed for coal combustion with CCS to gain market share. In another part of the project we studied the role of geochemical reactions in affecting the probability of CO2 leakage. A basin-scale simulation tool was modified to account for changes in leakage rates due to permeability alterations, based on simplified mathematical rules for the important geochemical reactions between acidified brines and caprock minerals. In studies of reactive flows in fractured caprocks, we examined the potential for permeability increases, and the extent to which existing reactive transport models would or would not be able to predict it. Using caprock specimens from the Eau Claire and Amherstburg, we found that substantial increases in permeability are possible for caprocks that have significant carbonate content, but minimal alteration is expected otherwise. We also found that while the permeability increase may be substantial, it is much less than what would be predicted from hydrodynamic models based on mechanical aperture alone because the roughness that is generated tends to inhibit flow.
Type:
text
Issue Date:
5 June 2014

17. Bubble pinch-off in turbulence

Abstract:
Experimental data, simulation code, and Python scripts to reproduce the data presented in "Bubble pinch-off in turbulence"
Type:
Dataset and Software

18. CLEVR-Matrices

Author(s):
Mondal, Shanka Subhra; Webb, Taylor; Cohen, Jonathan
Abstract:
A dataset of Raven’s Progressive Matrices (RPM)-like problems using realistically rendered 3D shapes, based on source code from CLEVR (a popular visual-question-answering dataset) (Johnson, J., Hariharan, B., Van Der Maaten, L., Fei-Fei, L., Lawrence Zitnick, C., & Girshick, R. (2017). Clevr: A diagnostic dataset for compositional language and elementary visual reasoning. In Proceedings of the IEEE conference on computer vision and pattern recognition (pp. 2901-2910)).
Type:
Dataset
Issue Date:
1 March 2023

19. CPCB continuous monitoring air quality data for India, from 2015-2019

Author(s):
Sharma, Disha; Mauzerall, Denise
Abstract:
The dataset is a compilation of real time ground observations of criteria pollutants monitored at the Central Pollution Control Board (CPCB) continuous stations in India, from 2015-2019. Pollutants included are PM2.5, PM10, SO2, NO2 and O3 and are archived at every hour for all stations across India.
Type:
Dataset
Issue Date:
15 October 2021

21. Calibrated VIC Model Parameters over CONUS

Author(s):
Yang, Yuan; Pan, Ming; Beck, Hylke; Fisher, Colby; Beighley, R. Edward; Kao, Shih-Chieh; Hong, Yang; Wood, Eric
Abstract:
Conventional basin-by-basin approaches to calibrate hydrologic models are limited to gauged basins and typically result in spatially discontinuous parameter fields. Moreover, the consequent low calibration density in space falls seriously behind the need from present-day applications like high resolution river hydrodynamic modeling. In this study we calibrated three key parameters of the Variable Infiltration Capacity (VIC) model at every 1/8° grid-cell using machine learning-based maps of four streamflow characteristics for the conterminous United States (CONUS), with a total of 52,663 grid-cells. This new calibration approach, as an alternative to parameter regionalization, applied to ungauged regions too. A key difference made here is that we tried to regionalize physical variables (streamflow characteristics) instead of model parameters whose behavior may often be less well understood. The resulting parameter fields no longer presented any spatial discontinuities and the patterns corresponded well with climate characteristics, such as aridity and runoff ratio. The calibrated parameters were evaluated against observed streamflow from 704/648 (calibration/validation period) small-to-medium-sized catchments used to derive the streamflow characteristics, 3941/3809 (calibration/validation period) small-to-medium-sized catchments not used to derive the streamflow characteristics) as well as five large basins. Comparisons indicated marked improvements in bias and Nash-Sutcliffe efficiency. Model performance was still poor in arid and semiarid regions, which is mostly due to both model structural and forcing deficiencies. Although the performance gain was limited by the relative small number of parameters to calibrate, the study and results here served as a proof-of-concept for a new promising approach for fine-scale hydrologic model calibrations.
Type:
Dataset
Issue Date:
4 September 2019

22. Chinese overseas development financing of electric power generation: A comparative analysis

Author(s):
Chen, Xu; Gallagher, Kevin P.; Mauzerall, Denise L.
Abstract:
Global power generation must rapidly decarbonize by mid-century to meet the goal of stabilizing global warming below 2 degree Celsius. To meet this objective, multilateral development banks (MDBs) have gradually reduced fossil fuel and increased renewable energy financing. Meanwhile, globally active national development finance institutions (DFIs) from Japan and South Korea have continued to finance overseas coal plants. Less is known about the increasingly active Chinese DFIs. Here we construct a new dataset of China’s policy banks’ overseas power generation financing and compare their technology choices and impact on generation capacity with MDBs and Japanese and South Korean DFIs. We find Chinese DFI power financing since 2000 has dramatically increased, surpassing other East Asian national DFIs and the major MDBs’ collective public sector power financing in 2013. As most Chinese DFI financing is currently in coal, decarbonization of their power investments will be critical in reducing future carbon emissions from recipient countries.
Type:
Dataset
Issue Date:
23 October 2020

23. Chiral Tetramer Molecular Model

Author(s):
Petsev, Nikolai D.; Stillinger, Frank H.; Debenedetti, Pablo G.
Abstract:
Source code for our energy-conserving reformulation of the 4-site molecular model for chiral phenomena originally introduced by Latinwo et al. [F. Latinwo, F. H. Stillinger, and P. G. Debenedetti, Molecular Model for Chirality Phenomena, J. Chem. Phys. 145, 154503 (2016)]. The reformulation includes an additional 8-body force that arises from an explicit configuration-dependent term in the potential energy function, resulting in a coarse-grained energy-conserving force field for molecular dynamics simulations of chirality phenomena. In this model, the coarse-grained interaction energy between two tetramers depends on their respective chiralities, and is controlled by a parameter λ, where favors local configurations involving tetramers of opposite chirality, and gives energetic preference to configurations involving tetramers of the same chirality. The source code is for use with the LAMMPS simulation package.
Type:
Software
Issue Date:
3 August 2021

24. Climate Impacts from Large Volcanic Eruptions in a High-resolution Climate Model: the Importance of Forcing Structure

Author(s):
Yang, Wenchang; Vecchi, Gabriel; Fueglistaler, Stephan; Horowitz, Larry; Luet, David; Muñoz, Ángel; Paynter, David; Underwood, Seth
Abstract:
Explosive volcanic eruptions have large climate impacts, and can serve as observable tests of the climatic response to radiative forcing. Using a high resolution climate model, we contrast the climate responses to Pinatubo, with symmetric forcing, and those to Santa Maria and Agung, which had meridionally asymmetric forcing. Although Pinatubo had larger global-mean forcing, asymmetric forcing strongly shifts the latitude of tropical rainfall features, leading to larger local precipitation/TC changes. For example, North Atlantic TC activity over is enhanced/reduced by SH-forcing (Agung)/NH-forcing (Santa Maria), but changes little in response to the Pinatubo forcing. Moreover, the transient climate sensitivity estimated from the response to Santa Maria is 20% larger than that from Pinatubo or Agung. This spread in climatic impacts of volcanoes needs to be considered when evaluating the role of volcanoes in global and regional climate, and serves to contextualize the well-observed response to Pinatubo.
Type:
Dataset
Issue Date:
2019

26. Code and data from "Comparative genomic analysis reveals varying levels of mammalian adaptation to coronavirus infections"

Author(s):
King, Sean
Abstract:
Severe acute respiratory coronavirus 2 (SARS-CoV-2), the causative agent of COVID-19, is of zoonotic origin. Evolutionary analyses assessing whether coronaviruses similar to SARS-CoV-2 infected ancestral species of modern-day animal hosts could be useful in identifying additional reservoirs of potentially dangerous coronaviruses. We reasoned that if a clade of species has been repeatedly exposed to a virus, then their proteins relevant for viral entry may exhibit adaptations that affect host susceptibility or response. We perform comparative analyses across the mammalian phylogeny of angiotensin-converting enzyme 2 (ACE2), the cellular receptor for SARS-CoV-2, in order to uncover evidence for selection acting at its binding interface with the SARS-CoV-2 spike protein. We uncover that in rodents there is evidence for adaptive amino acid substitutions at positions comprising the ACE2-spike interaction interface, whereas the variation within ACE2 proteins in primates and some other mammalian clades is not consistent with evolutionary adaptations. We also analyze aminopeptidase N (APN), the receptor for the human coronavirus 229E, a virus that causes the common cold, and find evidence for adaptation in primates. Altogether, our results suggest that the rodent and primate lineages may have had ancient exposures to viruses similar to SARS-CoV-2 and HCoV-229E, respectively. Included in this repository are the instructions and corresponding code required to build the dataset and run the analysis in the manuscript.
Type:
Dataset
Issue Date:
28 September 2021

27. Collapse of reacted fracture surface decreases permeability and frictional strength

Author(s):
Peters, Catherine A.; Spokas, Kasparas
Abstract:
Geochemical and geomechanical perturbations of the subsurface caused by the injection of fluids present the risk of leakage and seismicity. This study investigated how flow of acidic fluids affects hydraulic and frictional properties of fractures using experiments with 3.8 cm-long specimens of Eagle Ford shale, a laminated shale with carbonate-rich strata. In low-pressure flow cells, one set of samples was exposed to an acidic brine and another set was exposed to a neutral brine. X-ray computed tomography and x-ray fluorescence analysis revealed that samples exposed to the acidic brine were calcite-depleted and had developed a porous altered layer, while the other set showed little evidence of alteration. After reaction, samples were compacted and sheared in a triaxial cell that supplied normal stress and differential pore pressure at prescribed sliding velocities, independently measuring friction and permeability. During the initial compaction, the porous altered layer collapsed into fine particles that filled the fracture aperture. This effectively impeded flow and sealed the fracture, resulting in a decrease in fracture permeability by 1 to 2 orders of magnitude relative to the compressed unaltered fractures. During shear, the collapsed layer of fine-grained particles prevented the formation of interlocking micro-asperities resulting in lower frictional strength. With regard to subsurface risks, this study showcases how coupled geochemical and geomechanical processes could favorably seal fractures to inhibit leakage, but also could increase the likelihood of induced seismicity. These findings have important implications for geological carbon sequestration, pressurized fluid energy storage, geothermal energy, and other subsurface technologies.
Type:
Dataset
Issue Date:
2018

29. Complete Dataset for Williams Site Pore Water Chemistry, March 2011 - April 2012

Abstract:
Complete dataset of pore water chemical parameters measured at the Marsh Resource Meadowlands Mitigation Bank, a tidal marsh within the New Jersey Meadowlands, from March 2011 to April 2012. Analytes measured include dissolved methane, sulfate, dissolved organic carbon, temperature, salinity, and pH. Measurements were conducted using porewater dialysis samplers, and water was sampled from the surface to a depth of 60 cm.
Type:
Dataset
Issue Date:
7 March 2014

30. CrvA and CrvB form a curvature-inducing module sufficient to induce cell shape complexity in Gram-negative bacteria

Author(s):
Martin, Nicholas R; Blackman, Edith; Bratton, Benjamin P; Chase, Katelyn J; Bartlett, Thomas M; Gitai, Zemer
Abstract:
Bacterial species have diverse cell shapes that enable motility, colonization, and virulence. The cell wall defines bacterial shape and is primarily built by two cytoskeleton-guided synthesis machines, the elongasome and the divisome. However, the mechanisms producing complex shapes, like the curved-rod shape of Vibrio cholerae, are incompletely defined. Previous studies have reported that species-specific regulation of cytoskeleton-guided machines enables formation of complex bacterial shapes such as cell curvature and cellular appendages. In contrast, we report that CrvA and CrvB are sufficient to induce complex cell shape autonomously of the cytoskeleton in V. cholerae. The autonomy of the CrvAB module also enables it to induce curvature in the Gram-negative species Escherichia coli, Pseudomonas aeruginosa, Caulobacter crescentus, and Agrobacterium tumefaciens. Using inducible gene expression, quantitative microscopy, and biochemistry we show that CrvA and CrvB circumvent the need for patterning via cytoskeletal elements by regulating each other to form an asymmetrically-localized, periplasmic structure that directly binds to the cell wall. The assembly and disassembly of this periplasmic structure enables dynamic changes in cell shape. Bioinformatics indicate that CrvA and CrvB may have diverged from a single ancestral hybrid protein. Using fusion experiments in V. cholerae, we find that a synthetic CrvA/B hybrid protein is sufficient to induce curvature on its own, but that expression of two distinct proteins, CrvA and CrvB, promotes more rapid curvature induction. We conclude that morphological complexity can arise independently of cell shape specification by the core cytoskeleton-guided synthesis machines.
Type:
Dataset
Issue Date:
2021

31. Data Files for "Arranged Cohabitation among Chinese Muslims"

Author(s):
Yu, Xie; Qing, Lai; Zheng, Mu
Abstract:
Data from the 2007 Developmental Idealism survey conducted in Gansu province in China's northwestern borderlands reveal that Muslims of the Hui and Dongxiang ethnicities reported much higher rates of cohabitation experience than the secular majority Han. Based on follow-up qualitative interviews, we found the answer to lie in the interplay between the highly interventionist Chinese state and the robust cultural resilience of local Islamic communities. Using the 2000 census data and the 2010 China Family Panel Studies data, we further show that women in almost all ten Muslim ethnic groups have higher percentages of underage births and premarital births than Han women, both nationally and in the northwest where most Chinese Muslims live. As the once-outlawed behavior of cohabitation became more socially acceptable during the reform and opening-up era, young Muslim Chinese often found themselves in “arranged cohabitations” as de facto marriages formed at younger-than-legal ages.
Type:
Dataset
Issue Date:
January 2024

32. Data Files for "Declining Chinese Attitudes toward the United States amid COVID-19"

Author(s):
Xie, Yu; Huang, Junming; He, Yuchen; Yang, Feng; Zhou, Yi; Qian, Yue; Cai, Weicheng; Zhou, Jie
Abstract:
This dataset encompasses three distinct sets of data analyzed in the study, namely the survey data on favorability to the US, the survey data on trust in Americans, and the social media data.
Type:
Dataset
Issue Date:
December 2023

33. Data and code for 'Hydrological cycle amplification reshapes warming-driven oxygen loss in Atlantic Ocean'

Author(s):
Hogikyan, Allison
Abstract:
Physical and biogeochemical variables from the NOAA-GFDL Earth System Model 2M experiments (pre-processed), previously published observation-based datasets, and code to reproduce figures from these datasets, used for the study 'Hydrological cycle amplification reshapes warming-driven oxygen loss in Atlantic Ocean'.
Type:
Dataset and Software
Issue Date:
June 2023

34. Data and code for “Structured foraging of soil predators unveils functional responses to bacterial defenses”

Author(s):
Gregor, Thomas; Rossine, Fernando
Abstract:
Microscopy images are part of a paper entitled "Structured foraging of soil predators unveils functional responses to bacterial defenses" by Fernando Rossine, Gabriel Vercelli, Corina Tarnita, and Thomas Gregor. For detailed acquisition methods see the paper. Experiments were performed between 2019 and 2020 at Princeton University. Two types of images are provided, macroscopic and microscopic widefiled Images. Macroscopic images all show Petri dishes covered in fluorescent bacteria being consumed by amoebae. Images are shown for D. discoideum, P. violaceum, and A. castellanii. Images depicting drug treatments (Nystatin and Fluorouracil) were obtained using D. discoideum. Images used for the creation of a profile were all taken within 30 minutes of each other. Within each directory numbered images are independent replicates. The raw video directory contains time series for dishes under drug treatments. Each numbered folder is a sequence of photos (taken 30 minutes apart of each other) of a single dish. Microscopic images all show amoebae consuming bacteria on a petri dish. The 45 minute videos show either edge cells (located at the edge of amoebae colonies), or inner cells (located 2.5 millimeters towards the center of the colony, from the edge). Videos are confocal stacks, with bacteria showing in green and amoebae appearing as black holes within the bacterial lawn. As was for the macroscopic images, images are shown for D. discoideum, P. violaceum, and A. castellanii. Images depicting drug treatments (Nystatin and Fluorouracil) were obtained using D. discoideum.
Type:
Dataset and Software
Issue Date:
11 November 2022

35. Data corresponding to our paper on "Chemotactic smoothing of collective migration"

Author(s):
Bhattacharjee, Tapomoy; Amchin, Daniel; Alert, Ricard; Ott, Jenna; Datta, Sujit
Abstract:
Collective migration -- the directed, coordinated motion of many self-propelled agents -- is a fascinating emergent behavior exhibited by active matter that has key functional implications for biological systems. Extensive studies have elucidated the different ways in which this phenomenon may arise. Nevertheless, how collective migration can persist when a population is confronted with perturbations, which inevitably arise in complex settings, is poorly understood. Here, by combining experiments and simulations, we describe a mechanism by which collectively migrating populations smooth out large-scale perturbations in their overall morphology, enabling their constituents to continue to migrate together. We focus on the canonical example of chemotactic migration of Escherichia coli, in which fronts of cells move via directed motion, or chemotaxis, in response to a self-generated nutrient gradient. We identify two distinct modes in which chemotaxis influences the morphology of the population: cells in different locations along a front migrate at different velocities due to spatial variations in (i) the local nutrient gradient and in (ii) the ability of cells to sense and respond to the local nutrient gradient. While the first mode is destabilizing, the second mode is stabilizing and dominates, ultimately driving smoothing of the overall population and enabling continued collective migration. This process is autonomous, arising without any external intervention; instead, it is a population-scale consequence of the manner in which individual cells transduce external signals. Our findings thus provide insights to predict, and potentially control, the collective migration and morphology of cell populations and diverse other forms of active matter.
Type:
Dataset
Issue Date:
24 June 2021

36. Data for "A New Open-path Eddy Covariance Method for N2O and Other Trace Gases that Minimizes Temperature Corrections"

Author(s):
Pan, Da; Gelfand, Ilya; Tao, Lei; Abraha, Michael; Sun, Kang; Guo, Xuehui; Chen, Jiquan; Robertson, G. Philip; Zondlo, Mark A.
Abstract:
This dataset contains spectroscopic simulations, experimental results for the 2202 cm-1 N2O absorption line, and N2O flux measurements shown in "A New Open-path Eddy Covariance Method for N2O and Other Trace Gases that Minimizes Temperature Corrections" by Da Pan, Ilya Gelfand, Lei Tao, Michael Abraha, Kang Sun, Xuehui Guo, Jiquan Chen, G. Philip Robertson, and Mark A. Zondlo. The HITRAN Application Programming Interface (HAPI) with HITRAN 2016 was used for spectroscopic simulations. Experiments were conducted to quantify H2O-broadened half-width at half maximum and validate spectroscopic simulations. N2O flux was measured with both eddy covariance and static chamber methods.
Type:
Dataset
Issue Date:
26 October 2021

37. Data for "Ammonia Dry Deposition in an Alpine Ecosystem Traced to Agricultural Emission Hotpots"

Author(s):
Pan, Da; Benedict, Katherine; Golston, Levi; Wang, Rui; Collett, Jeffrey Jr; Tao, Lei; Sun, Kang; Guo, Xuehui; Ham, Jay; Prenni, Anthony; Schichtel, Bret; Mikoviny, Tomas; Müller, Markus; Wisthaler, Armin; Zondlo, Mark
Abstract:
Elevated reactive nitrogen (Nr) deposition is a concern for alpine ecosystems, and dry NH3 deposition is a key contributor. Understanding how emission hotspots impact downwind ecosystems through dry NH3 deposition provides opportunities for effective mitigation. However, direct NH3 flux measurements with sufficient temporal resolution to quantify such events are rare. Here, we measured NH3 fluxes at Rocky Mountain National Park (RMNP) during two summers and analyzed transport events from upwind agricultural and urban sources in northeastern Colorado. We deployed open-path NH3 sensors on a mobile laboratory and an eddy covariance tower to measure NH3 concentrations and fluxes. Our spatial sampling illustrated an upslope event that transported NH3 emissions from the hotspot to RMNP. Observed NH3 deposition was significantly higher when backtrajectories passed through only the agricultural region (7.9 ng m-2 s-1) versus only the urban area (1.0 ng m-2 s-1) and both urban and agricultural areas (2.7 ng m-2 s-1). Cumulative NH3 fluxes were calculated using observed, bidirectional modeled, and gap-filled fluxes. More than 40% of the total dry NH3 deposition occurred when air masses were traced back to agricultural source regions. More generally, we identified that 10 (25) more national parks in the U.S. are within 100 (200) km of an NH3 hotspot, and more observations are needed to quantify the impacts of these hotspots on dry NH3 depositions in these regions.
Type:
Dataset
Issue Date:
2021

38. Data for "Caught in the Crossfire: Fears of Chinese-American Scientists"

Author(s):
Xie, Yu; Lin, Xihong; Li, Ju; He, Qian; Huang, Junming
Abstract:
This dataset encompasses two distinct sets of data analyzed in the study, namely Asian American Scholar Forum survey data and Microsoft Academic Graph bibleometrics data: Yu Xie, Xihong Lin, Ju Li, Qian He, Junming Huang, Caught in the Crossfire: Fears of Chinese-American Scientists, Proceedings of the National Academy of Sciences, in press (2023).
Type:
Dataset
Issue Date:
May 2023

40. Data for "Declining Chinese Attitudes toward the United States amid COVID-19"

Author(s):
Yu, Xie; Feng, Yang; Junming, Huang; Yuchen, He; Yi, Zhou; Yue, Qian; Weicheng, Cai; Jie, Zhou
Abstract:
This dataset encompasses three distinct sets of data analyzed in the study, namely the survey data on favorability to the US, the survey data on trust in Americans, and the social media data. The first part of the dataset comprises the analysis in Study 1 and Study 3, which is collected from three surveys, including the Social Attitude Questionnaire of Urban and Rural Residents (SAQURR) in 2019 and 2020, the COVID-19 Multi-Wave Study (CMWS) between 2020 and 2022, and the Survey on Living Conditions (SLC) in 2023. The second part of the datasets provides information used in Study 4, involving the 2018 and 2020 waves of the CFPS, Baidu Index data, and the COVID-19 cases and deaths data. The third dataset is provided to depict trends in attitudes toward the US in Study 2.
Type:
Dataset
Issue Date:
March 2024

41. Data for "First-principles-based Machine Learning Models for Phase Behavior and Transport Properties of CO2"

Author(s):
Nicola Barbosa Muniz, Maria Carolina
Abstract:
This dataset contains example input files, training data sets and potential files related to the publication "First-principles-based Machine Learning Models for Phase Behavior and Transport Properties of CO2." by Mathur et al (2023). In this work, we developed machine learning models for CO2 based on different exchange-correlation DFT functionals. We assessed their performance on liquid densities, vapor-liquid equilibrium and transport properties.
Type:
Dataset
Issue Date:
10 April 2023

43. Data for "Spatial heterogeneity of ammonia fluxes in a deciduous forest and adjacent grassland"

Author(s):
Guo, Xuehui; Pan, Da; Daly, Ryan; Chen, Xi; Walker, John; Tao, Lei; McSpiritt, James; Zondlo, Mark
Abstract:
Gas-phase ammonia (NH3), emitted primarily from agriculture, contributes significantly to reactive nitrogen (Nr) deposition. Excess deposition of Nr to the environment causes acidification, eutrophication, and loss of biodiversity. The exchange of NH3 between land and atmosphere is bidirectional and can be highly heterogenous when underlying vegetation and soil characteristics differ. Direct measurements that assess the spatial heterogeneity of NH3 fluxes are lacking. To this end, we developed and deployed two fast-response, quantum cascade laser-based open-path NH3 sensors to quantify NH3 fluxes at a deciduous forest and an adjacent grassland separated by 700 m in North Carolina, United States from August to November, 2017. The sensors achieved 10 Hz precisions of 0.17 ppbv and 0.23 ppbv in the field, respectively. Eddy covariance calculations showed net deposition of NH3 (-7.3 ng NH3-N m−2 s−1) to the forest canopy and emission (3.2 ng NH3-N m−2 s−1) from the grassland. NH3 fluxes at both locations displayed diurnal patterns with absolute magnitudes largest midday and with smaller peaks in the afternoons. Concurrent biogeochemistry data showed over an order of magnitude higher NH3 emission potentials from green vegetation at the grassland compared to the forest, suggesting a possible explanation for the observed flux differences. Back trajectories originating from the site identified the upwind urban area as the main source region of NH3. Our work highlights the fact that adjacent natural ecosystems sharing the same airshed but different vegetation and biogeochemical conditions may differ remarkably in NH3 exchange. Such heterogeneities should be considered when upscaling point measurements, downscaling modeled fluxes, and evaluating Nr deposition for different natural land use types in the same landscape. Additional in-situ flux measurements accompanied by comprehensive biogeochemical and micrometeorological records over longer periods are needed to fully characterize the temporal variabilities and trends of NH3 fluxes and identify the underlying driving factors.
Type:
Dataset
Issue Date:
September 2022

44. Data for "Stability and Kinetics of Iron-Terephthalate MOFs with Diverse Structures in Aqueous Pollutant Degradation"

Author(s):
Sarazen, Michele; Moore, Samuel
Abstract:
Numerical data is tabulated for all plots (Figures 2, 3a-b, 4-89, S1, S4a-b,d, S5a-b,d, S6-S156) and included as separate spreadsheets categorized by figure in a .zip file in the Supplementary Material. Error bars in Figure 4 show the spread of data observed for 4 and 5 trials on independent samples for MIL-101 and MOF-235, respectively. Figure 6a shows the average of triplicate filtrate test conversions with error propagated based on this spread. Figures 6b and S165 error bars on rate constants are determined based on propagated conversion uncertainty for independent trials and extracted standard deviations of pseudo-first order rate constants from linearized plots. Error bars on other plots represent propagation of experimental uncertainty on single trials.
Type:
Dataset
Issue Date:
19 June 2023

46. Data for 'Co-benefits of Transport Demand Reductions from Compact Urban Development in Chinese Cities'

Author(s):
Fu, Xiangwen; Cheng, Jing; Peng, Liqun; Zhou, Mi; Tong, Dan; Mauzerall, Denise L.
Abstract:
This dataset is created for the paper titled 'Co-benefits of Transport Demand Reductions from Compact Urban Development in Chinese Cities' and published on Nature Sustainability. We construct 6 scenarios of compact urban development, alternative energy vehicle deployment, and power decarbonization to explore the co-benefits of transport demand reductions via compact urban development for carbon emissions, energy use, air quality, and human health in China in 2050. This dataset provides the following gridded information for the scenarios: (1) monthly mean surface PM2.5 concentrations from the WRF-Chem model; (2) annual PM2.5-related premature deaths calculated by the GEMM model; (3) 2015 population in China; (4) mask for provinces in China; (5) longitude and latitude of each grid center.
Type:
Dataset
Issue Date:
January 2024

47. Data for 'Environmental Benefits and Household Costs of Clean Heating Options in Northern China'

Author(s):
Zhou, Mi; Peng, Liqun; Zhang, Lin; Mauzerall, Denise L.
Abstract:
This dataset is created for the paper titled 'Environmental Benefits and Household Costs of Clean Heating Options in Northern China' and published on Nature Sustainability. Based on a 2015 regional anthropogenic emission inventory (base case), we propose seven counterfactual scenarios in which all 2015 residential solid fuel heating in northern China switches to one of the following non-district heating options: clean coal with improved stoves (CCIS), natural gas heaters (NGH), resistance heaters (RH), or air-to-air heat pumps (AAHP). This dataset provides the following gridded information for the base case and each clean heating scenario: (1) annual residential heating emissions for PM2.5/NOx/SO2; (2) monthly mean surface PM2.5 concentrations from the WRF-Chem model; (3) annual PM2.5-related premature deaths calculated by the GEMM model; (4) 2015 population in China; (5) mask for provinces in China; (6) longitude and latitude of each grid center.
Type:
Dataset
Issue Date:
22 December 2021

48. Data for Coarse-grained Intrinsically Disordered Proteins

Author(s):
Webb, Michael; Patel, Roshan; Borca, Carlos
Abstract:
This distribution compiles numerous physical properties for 2,585 intrinsically disordered proteins (IDPs) obtained by coarse-grained molecular dynamics simulation. This combination comprises "Dataset A" as reported in "Featurization strategies for polymer sequence or composition design by machine learning" by Roshan A. Patel, Carlos H. Borca, and Michael A. Webb (DOI: 10.1039/D1ME00160D). The specific IDP sequences are sourced from version 9.0 of the DisProt database. The simulations were performed using the LAMMPS molecular dynamics engine. The interactions used for simulation are obtained from R. M. Regy , J. Thompson , Y. C. Kim and J. Mittal , Improved coarse-grained model for studying sequence dependent phase separation of disordered proteins, Protein Sci., 2021, 1371 —1379.
Type:
Dataset
Issue Date:
6 May 2022

49. Data for Configurations and Characteristics of Simulated Single-Chain Nanoparticles

Author(s):
Webb, Michael; Patel, Roshan; Colmenares, Sophia
Abstract:
This item provides access to all configurations of single-chain nanoparticles analyzed in the manuscript "Sequence Patterning, Morphology, and Dispersity in Single-Chain Nanoparticles: Insights from Simulation and Machine Learning" by Roshan A. Patel, Sophia Colmenares, and Michael A. Webb (DOI: 10.1021/acspolymersau.3c00007). The single-chain nanoparticles derive from 320 unique precursor chains that are distinguished by the fraction of linker beads that decorate a fixed-length polymer backbone and the distribution or blockiness of those linker beads. The data is provided in the form of serialized object using the `pickle' python module. The data was compiled using Python version 3.8.8 and Clang 10.0.0. The Python object loaded from the .pkl file is a nested list, with the first dimension having 7,680 entries for the 7,680 unique single-chain nanoparticles produced in the aforementioned paper. Each of those 7,680 entries is itself a list with 20 entries, representing the 20 different simulation snapshots of the given single-chain nanoparticle. Each of the 20 entries is another list with two entries, with the first being a numpy.ndarray containing the x,y,z coordinates of all the beads comprising the single-chain nanoparticle and the second being a numpy.ndarray with a numerical encoding to indicate whether the beads are backbone (indicated as '0') or linker beads (indicated as '1'). Altogether, this provides 153,600 configurations of single-chain nanoparticles.
Type:
Dataset
Issue Date:
2 June 2023

50. Data for Nature Climate Change article 'Regional dry-season climate changes due to three decades of Amazonian deforestation'

Author(s):
Khanna, Jaya; Medvigy, David; Fueglistaler, Stephan; Walko, Robert
Abstract:
More than 20% Amazon rainforest has been cleared in the past three decades triggering important hydroclimatic changes. Small-scale (~few kilometers) deforestation in the 1980s has caused thermally-triggered atmospheric circulations that increase regional cloudiness and precipitation frequency. However, these circulations are predicted to diminish as deforestation increases. Here we use multi-decadal satellite records and numerical model simulations to show a regime shift in the regional hydroclimate accompanying increasing deforestation in Rondônia, Brazil. Compared to the 1980s, present-day deforested areas in downwind western Rondônia are found to be wetter than upwind eastern deforested areas during the local dry season. The resultant precipitation change in the two regions is approximately ±25% of the deforested area mean. Meso-resolution simulations robustly reproduce this transition when forced with increasing deforestation alone, showing a negligible role of large-scale climate variability. Furthermore, deforestation-induced surface roughness reduction is found to play an essential role in the present-day dry season hydroclimate. Our study illustrates the strong scale-sensitivity of the climatic response to Amazonian deforestation and suggests that deforestation is sufficiently advanced to have caused a shift from a thermally- to a dynamically-driven hydroclimatic regime.
Type:
Dataset and Software
Issue Date:
2017