Inclusion of ionic interactions in force field calculations of charged biomolecules – DNA structural transitions.

The potential of mean force (PMF) approach for treating polyion–diffuse ionic cloud interactions [D. M. Soumpasis (1984) Proceedings of the National Academy of Sciences USA81, 5116–5120] has been combined with the AMBER force field describing intramolecular interactions. The resultant generalized AMBER-PMF force field enables one to treat the conformational stabilities and structural transitions of charged biomolecules in aqueous electrolytes more realistically. For example, we have used it to calculate the relative stabilities of the B and Z conformations of d(C-G)6, and the B and heteronomous (H) conformations of dA12 · dT12, as a function of salt concentration. In the case of d(C-G)6, the predicted B–ZI transition occurs at 2.4M and is essentially driven by the phosphate-diffuse ionic cloud interactions alone as suggested by the results of earlier PMF calculations. The ZII conformer is less stable than the B form under all conditions. It is found that the helical parameters of the refined B and Z structures change with salt concentration. For example, the helical rise of B-DNA increases about 10% and the twist angle decreases by the same amount above 1M NaCl. In the range of 0.01–0.3M NaCl, the H form of dA12 · dT12 is found to be more stable than the B form and its stability increases with increasing salt concentration. The computed greater relative stability of the H conformation is likely due to noninclusion of the free energy contribution from the spine of hydration, a feature presumed to stabilize the B form of this sequence

When the river runs dry: human and ecological values of dry riverbeds

Temporary rivers and streams that naturally cease to flow and dry up can be found on every continent. Many other water courses that were once perennial now also have temporary flow regimes due to the effects of water extraction for human use or as a result of changes in land use and climate. The dry beds of these temporary rivers are an integral part of river landscapes. We discuss their importance in human culture and their unique diversity of aquatic, amphibious, and terrestrial biota. We also describe their role as seed and egg banks for aquatic biota, as dispersal corridors and temporal ecotones linking wet and dry phases, and as sites for the storage and processing of organic matter and nutrients. In light of these valuable functions, dry riverbeds need to be fully integrated into river management policies and monitoring programs. We also identify key knowledge gaps and suggest research questions concerning the values of dry riverbeds

Optimal Power Dispatch in Energy Systems Considering Grid Constraints

In this research, an energy system dispatch optimization model is employed. It includes an iterative approach for generating grid constraints, which is decoupled from the linear unit commitment problem. The dispatch of all energy carriers in the system is optimized while considering the physical electrical grid limits

Automatic topology identification of weak low voltage networks and load management strategies for micro-mobility applications

With 55 % of the world's population residing in urban areas in 2018 and a projected rise up to 68% by 2050 [1], the challenge of integrating sustainable mobility solutions into the existing urban infrastructure is gaining worldwide attention. The new opportunities come with a challenge, which is focused on managing a dynamic combination of generations and loads on an existing infrastructure that is designed based on a set of particular standards and specification to support its static original conditions. Networks reinforcement is one solution, however this solution is expensive and typical usage times are short. An alternative is to integrate smart grid control techniques, avoiding relatively larger investments. For this purpose, an energy management system retrofitted to an existing public street lighting network can provide a more economic and reliable solution. In this work a systematic approach to optimizing the scheduling of loads and power flows in terms of maximizing load acceptance rate and the total delivered energy is presented. 1.H. Ritchie and M. Roser, "Urbanization", Our World in Data, 2020, [online] Available: https://ourworldindata.org/urbanization

Technology Pathways and Economic Analysis for Transforming High Temperature to Low Temperature District Heating Systems

There are 1454 district heating systems in Germany. Most of them are fossil based and with high temperature levels, which is neither efficient nor sustainable and needs to be changed for reaching the 2050 climate goals. In this paper, we present a case study for transforming a high to low temperature district heating system which is more suitable for renewable energy supply. With the Carnot Toolbox, a dynamic model of a potential district heating system is simulated and then transformed to a low temperature supply. A sensitivity analysis is carried out to see the system performance in case space constrains restrict the transformation. Finally, an economic comparison is performed. Results show that it is technically possible to perform the transformation until a very low temperature system. The use of decentralized renewable sources, decentralized heat storage tanks and the placement of a heat pump on each building are the key points to achieve the transformation. Regarding the sensitivity analysis, the transformation is worth doing until the seasonal storage and solar collector field sizes are reduced to 60 and 80 of their values in the reference case, respectively. The economic analysis shows, however, that it is hard for highly efficient low temperature renewable based heat networks to compete with district heating systems based on a centralized fossile CHP solution. Thus, though the presented transformation is technically possible, there is a strong need to change existing economic schemes and policies for fostering a stronger promotion of renewable energy policies in the heat sector

Deduction of Optimal Control Strategies for a Sector-Coupled District Energy System

We present a method to turn the results of model-based optimisations into resilient and comprehensible control strategies. Our approach is to define priority lists for all available technologies in a district energy system. Using linear discriminant analysis and the results of the optimisations, these are then assigned to discrete time steps using a set of possible steering parameters. In contrast to the model-based optimisations, the deduced control strategies do not need predictions or even perfect foresight but solely rely on data about the present. The case study using priority lists presents results in terms of emissions and prices that are only about 5\% off the linear optimum. Considering that the priority lists only need information about the present, the results of the control strategies obtained using the proposed method can be considered competitive

A generalised optimal design methodology for distributed energy systems

The optimal combination of energy conversion and storage technologies with local energy demand is a key but in its result not obvious challenge of distributed energy. Although a variety of possible approaches to the optimal design of limited technology selections can be found in the literature, the previous design step, the actual technology selection, and the subsequent step, the selection of the optimal operating strategy, are often neglected. We develop and demonstrate a methodology, which can optimise energy systems with arbitrary technology selection and under multi-criteria optimality definitions. The energy system modelled in oemof.solph is optimised using a MOEA/D approach with regard to economic, ecological and technical key performance indicators. The aim is to find trends and tendencies with a methodology that is as generalised as possible in order to integrate it into the decision-making process in energy system planning. We demonstrate the method by means of a German district for which an integrated supply concept is being sought. Different evaluation and visualisation possibilities are presented and the chances and limitations of the developed methodology are identified. We show that not only the choice of technology, but especially its sizing and operational strategy have a decisive influence on the optimality

Planning, Optimisation and Evaluation of Small Power-to-Gas-to-Power Systems: Case Study of a German Dairy

In the course of the energy transition, distributed, hybrid energy systems, such as the combination of photovoltaic (PV) and battery storages, is increasingly being used for economic and ecological reasons. However, renewable electricity generation is highly volatile, and storage capacity is usually limited. Nowadays, a new storage component is emerging: the power-to-gas-to-power (PtGtP) technology, which is able to store electricity in the form of hydrogen even over longer periods of time. Although this technology is technically well understood and developed, there are hardly any evaluations and feasibility studies of its widespread integration into current distributed energy systems under realistic legal and economic market conditions. In order to be able to give such an assessment, we develop a methodology and model that optimises the sizing and operation of a PtGtP system as part of a hybrid energy system under current German market conditions. The evaluation is based on a multi-criteria approach optimising for both costs and CO2 emissions. For this purpose, a brute-force-based optimal design approach is used to determine optimal system sizes, combined with the energy system simulation tool oemof.solph. In order to gain further insights into this technology and its future prospects, a sensitivity analysis is carried out. The methodology is used to examine the case study of a German dairy and shows that PtGtP is not yet profitable but promising. View Full-Tex

Chemically tagging the Hyades Supercluster: A homogeneous sample of F6-K4 kinematically selected northern stars

Stellar kinematic groups are kinematical coherent groups of stars that might have a common origin. These groups are dispersed throughout the Galaxy over time by the tidal effects of both Galactic rotation and disc heating, although their chemical content remains unchanged. The aim of chemical tagging is to establish that the abundances of every element in the analysis are homogeneus among the members. We study the case of the Hyades Supercluster to compile a reliable list of members (FGK stars) based on our chemical tagging analysis. For a total of 61 stars from the Hyades Supercluster, stellar atmospheric parameters (Teff, logg, xi, and [Fe/H]) are determined using our code called StePar, which is based on the sensitivity to the stellar atmospheric parameters of the iron EWs measured in the spectra. We derive the chemical abundances of 20 elements and find that their [X/Fe] ratios are consistent with Galactic abundance trends reported in previous studies. The chemical tagging method is applied with a carefully developed differential abundance analysis of each candidate member of the Hyades Supercluster, using a well-known member of the Hyades cluster as a reference (vB 153). We find that only 28 stars (26 dwarfs and 2 giants) are members, i.e. that 46% of our candidates are members based on the differential abundance analysis. This result confirms that the Hyades Supercluster cannot originate solely from the Hyades cluster.Comment: A&A, in pres