A framework for ensemble modelling of climate change impacts on lakes worldwide: the ISIMIP Lake Sector

Empirical evidence demonstrates that lakes and reservoirs are warming across the globe. Consequently, there is an increased need to project future changes in lake thermal structure and resulting changes in lake biogeochemistry in order to plan for the likely impacts. Previous studies of the impacts of climate change on lakes have often relied on a single model forced with limited scenario-driven projections of future climate for a relatively small number of lakes. As a result, our understanding of the effects of climate change on lakes is fragmentary, based on scattered studies using different data sources and modelling protocols, and mainly focused on individual lakes or lake regions. This has precluded identification of the main impacts of climate change on lakes at global and regional scales and has likely contributed to the lack of lake water quality considerations in policy-relevant documents, such as the Assessment Reports of the Intergovernmental Panel on Climate Change (IPCC). Here, we describe a simulation protocol developed by the Lake Sector of the Inter-Sectoral Impact Model Intercomparison Project (ISIMIP) for simulating climate change impacts on lakes using an ensemble of lake models and climate change scenarios. The protocol prescribes lake simulations driven by climate forcing from gridded observations and different Earth system models under various Representative Greenhouse Gas Concentration Pathways, all consistently bias-corrected on a 0.5° × 0.5° global grid. In ISIMIP phase 2, 11 lake models were forced with these data to project the thermal structure of 62 well-studied lakes where data were available for calibration under historical conditions, and for nearly 17,500 lakes using uncalibrated models and forcing data from the global grid where lakes are present. In ISIMIP phase 3, this approach was expanded to consider more lakes, more models, and more processes. The ISIMIP Lake Sector is the largest international effort to project future water temperature, thermal structure, and ice phenology of lakes at local and global scales and paves the way for future simulations of the impacts of climate change on water quality and biogeochemistry in lakes.

Assessment of Fatty Acid-Specific Lipolysis by In Vitro Digestion and GC-FID

The nutritional relevance of food compositional data could be improved by taking the bioaccessibility of these constituents into account. A lack of routine methods to assess the bioaccessibility of fatty acids (FAs) in food is one of the limiting factors of doing so. An analytical protocol is proposed for routine assessment of the extent of lipolysis via in vitro digestion simulation methods in food products. The established method provides specific information on each FA individually. Steps of the protocol including the Bligh and Dyer chloroform/methanol/water extraction of esterified and free FAs from in vitro digesta, methyl ester derivatization, and GC-FID analysis were specifically tailored to help routine work and were harmonized with the Infogest in vitro digestion simulation protocol (both v1.0 and v2.0). The method was applied to assess the degree of FA-specific lipolysis in a baked fish (carp) meal and the results showed that the FA composition of the original food significantly differed from that of the distribution of FFAs in the digesta. The use of gastric lipase (in Infogest v2.0 protocol) increased total FA release by 9.5% and its specific impact on palmitic acid was the most prominent.

Simulator Coupled with Distributed Co-Simulation Protocol for Automated Driving Tests

To meet the challenges in software testing for automated vehicles, such as increasing system complexity and an infinite number of operating scenarios, new simulation methods must be developed. Closed-loop simulations for automated driving (AD) require highly complex simulation models for multiple controlled vehicles with their perception systems as well as their surrounding context. For the realization of such models, different simulation domains must be coupled with co-simulation. However, widely supported model integration standards such as functional mock-up interface (FMI) lack native support for distributed platforms, which is a key feature for AD due to the computational intensity and platform exclusivity of certain models. The newer FMI companion standard distributed co-simulation protocol (DCP) introduces platform coupling but must still be used in conjunction with AD co-simulations. As part of an assessment framework for AD, this paper presents a DCP compliant implementation of an interoperable interface between a 3D environment and vehicle simulator and a co-simulation platform. A universal Python wrapper is implemented and connected to the simulator to allow its control as a DCP slave. A C-code-based interface enables the co-simulation platform to act as a DCP master and to realize cross-platform data exchange and time synchronization of the environment simulation with other integrated models. A model-in-the-loop use case is performed with the traffic simulator CARLA running on a Linux machine connected to the co-simulation master xMOD on a Windows computer via DCP. Several virtual vehicles are successfully controlled by cooperative adaptive cruise controllers executed outside of CARLA. The standard compliance of the implementation is verified by exemplary connection to prototypic DCP solutions from 3rd party vendors. This exemplary application demonstrates the benefits of DCP compliant tool coupling for AD simulation with increased tool interoperability, reuse potential, and performance.

Comparative Molecular Dynamics Investigation of the Electromotile Hearing Protein Prestin

The mammalian protein prestin is expressed in the lateral membrane wall of the cochlear hair outer cells and is responsible for the electromotile response of the basolateral membrane, following hyperpolarisation or depolarisation of the cells. Its impairment marks the onset of severe diseases, like non-syndromic deafness. Several studies have pointed out possible key roles of residues located in the Transmembrane Domain (TMD) that differentiate mammalian prestins as incomplete transporters from the other proteins belonging to the same solute-carrier (SLC) superfamily, which are classified as complete transporters. Here, we exploit the homology of a prototypical incomplete transporter (rat prestin, rPres) and a complete transporter (zebrafish prestin, zPres) with target structures in the outward open and inward open conformations. The resulting models are then embedded in a model membrane and investigated via a rigorous molecular dynamics simulation protocol. The resulting trajectories are analyzed to obtain quantitative descriptors of the equilibration phase and to assess a structural comparison between proteins in different states, and between different proteins in the same state. Our study clearly identifies a network of key residues at the interface between the gate and the core domains of prestin that might be responsible for the conformational change observed in complete transporters and hindered in incomplete transporters. In addition, we study the pathway of Cl− ions in the presence of an applied electric field towards their putative binding site in the gate domain. Based on our simulations, we propose a tilt and shift mechanism of the helices surrounding the ion binding cavity as the working principle of the reported conformational changes in complete transporters.