• Energy Research
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We use enhanced-sampling simulations with an effective collective variable to study the activation of the β2-adrenergic receptor in the presence of ligands with different efficacy. The free-energy profiles are computed for the ligand-free (apo) receptor and binary (apo-receptor + G-protein α-subunit and receptor + ligand) and ternary complexes. The results are not only compatible with available experiments but also allow unprecedented structural insight into the nature of GPCR conformations along the activation pathway and their role in the activation mechanism. In particular, the simulations reveal an unexpected mode of action of partial agonists such as salmeterol and salbutamol that arises already in the binary complex without the G-protein. Specific differences in the polar interactions with residues in TM5, which are required to stabilize an optimal TM6 conformation that facilitates G-protein binding and receptor activation, play a major role in differentiating them from full agonists.

Abstract. Observations of glacier mass changes are key to understanding the response of glaciers to climate change and related impacts, such as regional runoff, ecosystem changes, and global sea level rise. Spaceborne optical and radar sensors make it possible to quantify glacier elevation changes, and thus multi-annual mass changes, on a regional and global scale. However, estimates from a growing number of studies show a wide range of results with differences often beyond uncertainty bounds. Here, we present the outcome of a community-based inter-comparison experiment using spaceborne optical stereo (ASTER) and synthetic aperture radar interferometry (TanDEM-X) data to estimate elevation changes for defined glaciers and target periods that pose different assessment challenges. Using provided or self-processed digital elevation models (DEMs) for five test sites, 12 research groups provided a total of 97 spaceborne elevation-change datasets using various processing approaches. Validation with airborne data showed that using an ensemble estimate is promising to reduce random errors from different instruments and processing methods but still requires a more comprehensive investigation and correction of systematic errors. We found that scene selection, DEM processing, and co-registration have the biggest impact on the results. Other processing steps, such as treating spatial data voids, differences in survey periods, or radar penetration, can still be important for individual cases. Future research should focus on testing different implementations of individual processing steps (e.g. co-registration) and addressing issues related to temporal corrections, radar penetration, glacier area changes, and density conversion. Finally, there is a clear need for our community to develop best practices, use open, reproducible software, and assess overall uncertainty to enhance inter-comparison and empower physical process insights across glacier elevation-change studies.

Abstract Woody species' requirements and environmental sensitivity change from seedlings to adults, a process referred to as ontogenetic shift. Such shifts can be increased by climate change. To assess the changes in the difference of temperature experienced by seedlings and adults in the context of climate change, it is essential to have reliable climatic data over long periods that capture the thermal conditions experienced by the individuals throughout their life cycle. Here we used a unique cross‐European database of 2,195 pairs of resurveyed forest plots with a mean intercensus time interval of 37 years. We inferred macroclimatic temperature (free‐air conditions above tree canopies—representative of the conditions experienced by adult trees) and microclimatic temperature (representative of the juvenile stage at the forest floor, inferred from the relationship between canopy cover, distance to the coast and below‐canopy temperature) at both surveys. We then address the long‐term, large‐scale and multitaxa dynamics of the difference between the temperatures experienced by adults and juveniles of 25 temperate tree species. We found significant, but species‐specific, variations in the perceived temperature (calculated from presence/absence data) between life stages during both surveys. Additionally, the difference of the temperature experienced by the adult versus juveniles significantly increased between surveys for 8 of 25 species. We found evidence of a relationship between the difference of temperature experienced by juveniles and adults over time and one key functional trait (i.e. leaf area). Together, these results suggest that the temperatures experienced by adults versus juveniles became more decoupled over time for a subset of species, probably due to the combination of climate change and a recorded increase of canopy cover between the surveys resulting in higher rates of macroclimate than microclimate warming. Synthesis. We document warming and canopy‐cover induced changes in the difference of the temperature experienced by juveniles and adults. These findings have implications for forest management adaptation to climate change such as the promotion of tree regeneration by creating suitable species‐specific microclimatic conditions. Such adaptive management will help to mitigate the macroclimate change in the understorey layer.

Ice-core records of climate from Greenland and Antarctica show asynchronous temperature variations on millennial timescales during the last glacial period (1). The warming during the transition from glacial to interglacial conditions was markedly different between the hemispheres, a pattern attributed to the thermal bipolar see-saw (2). However, a record from the Ross Sea sector of East Antarctica has been suggested to be synchronous with Northern Hemisphere climate change (3). Here we present a temperature record from the Talos Dome ice core, also located in the Ross Sea sector. We compare our record with ice-core analyses from Greenland, based on methane synchronization (4), and find clearly asynchronous temperature changes during the deglaciation. We also find distinct differences in Antarctic records, pointing to differences in the climate evolution of the Indo-Pacific and Atlantic sectors of Antarctica. In the Atlantic sector, we find that the rate of warming slowed between 16,000 and 14,500 years ago, parallel with the deceleration of the rise in atmospheric carbon dioxide concentrations and with a slight cooling over Greenland. In addition, our chronology supports the hypothesis that the cooling of the Antarctic Cold Reversal is synchronous with the Bølling–Allerød warming in the northern hemisphere 14,700 years ago(5).

Silver nanoparticles (AgNP) are currently defined as emerging pollutants in surface water ecosystems. Whether the toxic effects of AgNP towards freshwater organisms are fully explainable by the release of ionic silver (Ag(+)) has not been conclusively elucidated. Long-term effects to benthic microbial communities (periphyton) that provide essential functions in stream ecosystems are unknown. The effects of exposure of periphyton to 2 and 20 μg/L Ag(+) (AgNO3) and AgNP (polyvinylpyrrolidone stabilised) were investigated in artificial indoor streams. The extracellular polymeric substances (EPS) and 3D biofilm structure, biomass, algae species, Ag concentrations in the water phase and bioassociated Ag were analysed. A strong decrease in total Ag was observed within 4 days. Bioassociated Ag was proportional to dissolved Ag indicating a rate limitation by diffusion across the diffusive boundary layer. Two micrograms per liter of AgNO3 or AgNP did not induce significant effects despite detectable bioassociation of Ag. The 20-μg/L AgNO3 affected green algae and diatom communities, biomass and the ratio of polysaccharides to proteins in EPS. The 20-μg/L AgNO3 and AgNP decreased biofilm volume to about 50 %, while the decrease of biomass was lower in 20 μg/L AgNP samples than the 20-μg/L AgNO3 indicating a compaction of the NP-exposed biofilms. Roughness coefficients were lower in 20 μg/L AgNP-treated samples. The more traditional endpoints (biomass and diversity) indicated silver ion concentration-dependent effects, while the newly introduced parameters (3D structure and EPS) indicated both silver ion concentration-dependent effects and effects related to the silver species applied.

A promising approach for the production of highly efficient and stable hybrid perovskite solar cells is employing mixed-ion materials. Remarkable performances have been reached by materials compris...