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Temperature is the principal driver of global atmospheric formaldehyde (HCHO) and its primary oxidation precursor biogenic volatile organic compounds (BVOCs). We revisit such a temperature (T‐) dependency globally, leveraging TROPOMI HCHO column data. We find substantial variations in the T‐dependency of biogenic HCHO across plant functional types (PFTs), with the highest over Broadleaf Evergreen Tropical Trees (doubling every 6.0 K ± 4.1 K) and lowest over Arctic C3 Grass (doubling every 30.8 K ± 9.6 K). The GEOS‐Chem model interprets HCHO columns' T‐dependency at the PFT level (r = 0.87), with a 16% discrepancy on average. The discrepancy can be explained by BVOC emissions T‐dependency for Broadleaf Evergreen Tropical Trees and Warm C4 Grass and can be attributed to the insensitivity of HCHO columns to BVOC emissions for other PFTs. Our findings underscore a potentially magnified variation of BVOC emissions by GEOS‐Chem and MEGAN therein, particularly in regions experiencing greater temperature variations. Plain Language Summary: We use remote sensing data from an up‐to‐date monitor to examine the temperature (T‐) dependency of biogenic formaldehyde (HCHO), a proxy of a series of volatile organic gases released by plants, in a global manner. We find that the effect of temperature on HCHO varies significantly between different types of plants, with tropical evergreen trees showing the most sensitivity to temperature and Arctic grasses showing the least. The GEOS‐Chem, a state‐of‐the‐art chemical transport model, interprets such temperature sensitivity among plants with nonnegligible discrepancies. The sensitivity of volatile organic gases released by plants to temperature explains the sensitivity of HCHO to temperature for some plants, such as tropical evergreen trees and warm‐season grasses. Key Points: Temperature (T‐) dependency of biogenic HCHO columns varies substantially across plant functional types (PFTs)The GEOS‐Chem model with the MEGAN module implemented primarily interprets the T‐dependency of HCHO columns at the PFT levelThe T‐dependency of biogenic volatile organic compound (BVOC) emissions mainly accounts for that of HCHO columns in Broadleaf Evergreen Tropical Trees and Warm C4 Grass regions [ABSTRACT FROM AUTHOR]

The frequency, intensity, and duration of extreme heatwaves are projected to increase in the global context of climate change. However, evidence of how anthropogenic emissions respond to heatwaves and further impact air quality remains elusive. Here, we use satellite remote sensing measurements alongside chemical transport model simulations to reveal abrupt variations in primary and secondary air pollutants introduced by extreme heatwaves. We highlight evidence from China and India, where satellite sulfur dioxide (SO2) and nitrogen dioxide (NO2) columns over thermal power plants enhance consistently responding to heatwaves. We attribute such spiked emissions to soaring electricity use and demonstrate that bottom‐up inventories underestimate the emissions from the power sector by 34.9% for the selected case. Elevated emissions facilitate fine particulate matter (PM2.5) and ozone (O3) formation over thermal power plants in an inhomogeneous manner, due to the combined effect of atmospheric oxidizing capacity, thermal decomposition of peroxyacetyl nitrate, planetary boundary layer rise, and air stagnation. Our results underscore the emerging challenge of pollution control attributable to the increasing climate penalty and the necessity of targeted control strategies and alternative energy sources during heatwaves. Plain Language Summary: Heatwaves are associated with high ambient temperatures and adverse health outcomes, but how anthropogenic emissions of atmospheric pollutants respond to heatwaves remains less explored. Here, we provide evidence from space for the first time that sulfur dioxide (SO2) and nitrogen dioxide (NO2) over thermal power plants enhance consistently responding to heatwaves. We attribute such spiked emissions to soaring electricity use, a feedback previously overlooked by state‐of‐the‐art emission inventories. The enhanced emissions increase levels of fine particulate matter (PM2.5) and surface ozone (O3) in an inhomogeneous manner during heatwaves due to the combined effect of chemistry and meteorology. Key Points: We detect enhanced SO2 and NO2 columns over power plants during heatwavesWe provide evidence of increasing electricity use and emissions in the power sectorElevated precursor emissions facilitate PM2.5 and O3 formation in an inhomogeneous manner under the combined effect of chemistry and meteorology [ABSTRACT FROM AUTHOR]

Non‐methane volatile organic compounds (NMVOCs) have a significant impact on air quality in urban areas. Detecting NMVOCs emission with its proxy HCHO on urban scales from space, however, has been limited by the lack of discernible enhancement. Here we show clear urban HCHO plumes from 16 cities over the globe by rotating TROPOspheric Monitoring Instrument HCHO pixels according to wind directions. We fit the downwind structure of the plumes with the exponentially modified Gaussian approach to quantify urban HCHO effective production rates between 7.0 and 88.5 mol s−1. Our results are in line with total NMVOC emissions from the EDGAR inventory (r = 0.76). Our work offers a new measure of total NMVOC emissions from urban areas and highlights the potential of satellite HCHO data to provide new information for monitoring urban air quality. Plain Language Summary: Non‐methane volatile organic compounds (NMVOCs) play an important role in urban air quality. Formaldehyde (HCHO) satellite observations have been shown to be able to reliably track and quantify NMVOC emissions at global and regional scales. Here, we use state‐of‐the‐art satellite sensors to quantify effective HCHO production rates in 16 global cities and further constrain total NMVOC emissions. Our results are broadly consistent with current emissions inventories, implying that satellites may be able to provide new information for urban air studies. Key Points: We show clear urban HCHO plumes from 16 cities over the globe by relating satellite pixels with wind fieldsWe obtain urban effective HCHO production rates by fitting the downwind structure of HCHO plumesSatellite‐based effective HCHO production rates provide potential measures of total non‐methane volatile organic compound emissions [ABSTRACT FROM AUTHOR]

Emissions of air pollutants and their precursors in urban air closely relate to urbanization involving economic development, population growth, and industrialization. Here we use formaldehyde (HCHO) columns from the TROPOspheric Monitoring Instrument (TROPOMI), night‐time light (NTL) radiance from the Visible Infrared Imaging Radiometer Suite, and population density data as respective proxies to explore how anthropogenic non‐methane volatile organic compound (NMVOC) emissions evolve with urbanization in Asia. HCHO columns correlate moderately to highly (0.64 ≤ r ≤ 0.99) with the NTL radiance within most major Asian countries. On both national (across Asia) and provincial scales (within China), HCHO columns increase monotonically with NTL radiance or population density with a log‐linear pattern, implying anthropogenic NMVOC emissions in Asia may similarly respond to urbanization with no apparent turnover yet. Our study confirms TROPOMI HCHO columns as a proxy of anthropogenic NMVOC emissions. Plain Language Summary: We use multi‐source satellite remote sensing data and population density data to examine how anthropogenic non‐methane volatile organic compound (NMVOC) emissions evolve with urbanization in Asia. Anthropogenic NMVOC emissions (indicated by satellite formaldehyde columns) correlate moderately to highly with urbanization (indicated by night‐time light or population density) within most major Asian countries. We find a monotonic response between anthropogenic NMVOC emissions and urbanization in Asia, with no apparent turnover yet. Key Points: Satellite formaldehyde (HCHO) columns correlate moderately to highly with night‐time light radiance and population density in most major Asian countriesA monotonic response between anthropogenic non‐methane volatile organic compound (NMVOC) emissions and urbanization may exist in Asia, with no apparent turnover yetTROPOspheric Monitoring Instrument HCHO column is confirmed as a reliable proxy of anthropogenic NMVOC emissions in Asia [ABSTRACT FROM AUTHOR]

Binding of different ligands to glucocorticoid receptor (GR) may induce different conformational changes and even trigger completely opposite biological functions. To understand the allosteric communication within the GR ligand binding domain, the folding pathway of helix 12 (H12) induced by the binding of the agonist dexamethasone (DEX), antagonist RU486, and modulator AZD9567 are explored by molecular dynamics simulations and Markov state model analysis. The ligands can regulate the volume of the activation function‐2 through the residues Phe737 and Gln738. Without ligand or with agonist binding, H12 swings from inward to outward to visit different folding positions. However, the binding of RU486 or AZD9567 perturbs the structural state, and the passive antagonist state appears more stable. Structure‐based virtual screening and in vitro bioassays are used to discover novel GR ligands that bias the conformation equilibria toward the passive antagonist state. HP‐19 exhibits the best anti‐inflammatory activity (IC50 = 0.041 ± 0.011 µm) in nuclear factor‐kappa B signaling pathway, which is comparable to that of DEX. HP‐19 also does not induce adverse effect‐related transactivation functions of GR. The novel ligands discovered here may serve as promising starting points for the development of GR modulators. [ABSTRACT FROM AUTHOR]

BACKGROUND The cyanoacrylate fungicide phenamacril targeting fungal myosin I has been widely used for controlling Fusarium head blight (FHB) of wheat caused by the pathogenic fungus Fusarium graminearum worldwide. Therefore, there is great interest in the discovery and development of novel FgMyo1 inhibitors through structure‐based drug design for the treatment of FHB. RESULTS: In this study, the binding mechanism of phenamacril with FgMyo1 was predicted by an integrated molecular modeling strategy. The predicted key phenamacril‐binding residues of FgMyo1 were further experimentally validated by point mutagenesis and phenamacril sensitivity assessment. Four novel key residues responsible for phenamacril binding were identified, highlighting the reliability of the theoretical predictions. The subsequent optimization of phenamacril derivatives led to the discovery of a novel compound (10) which shows better activity than phenamacril against conidial germination of F. graminearum, but not against other fungal species. Moreover, 10 also inhibits conidial germination of phenamacril‐resistant strains effectively. Further experiments illustrated that application of 10 could dramatically inhibit deoxynivalenol biosynthesis. CONCLUSION: Overall, our results further optimize and develop the binding model of phenamacril‐myosin I. Furthermore, 10 was found and has the potential to be developed as a species‐specific fungicide for management of FHB. © 2020 Society of Chemical Industry [ABSTRACT FROM AUTHOR]

A series of tetrahydrobenzothieno[2,3-d]pyrimidine derivatives were designed, synthesized, and evaluated as inhibitors of FGFR1. These analogs were synthesized via Gewald's reaction under mild conditions. The structures of the synthesized compounds were characterized by spectroscopic data ( IR, 1 H NMR and MS). Their antitumor activities were evaluated against H460, A549 and U251 cell lines in vitro. Results revealed that the tested compounds showed moderate antitumor activities. Structure-activity relationship analyses indicated that compounds with an aromatic ring substituted in the C-2 position or with larger molecules such as 3g, 4c, and 7 were more effective than others. The compound, 3g (78.8% FGFR1 inhibition at 10 μ m), was identified to have the most potent antitumor activities, with IC50 values of 7.7, 18.9, and 13.3 μ m against the H460, A549, and U251 cell lines, respectively. Together, the results suggested that tetrahydrobenzothieno[2,3-d]pyrimidine derivatives may serve as a potential agent for the treatment of FGFR1-mediated cancers. [ABSTRACT FROM AUTHOR]