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  • Wiley  (4)
  • 2020-2024  (4)
  • 1
    Online Resource
    Online Resource
    Wiley ; 2022
    In:  Functional Ecology Vol. 36, No. 8 ( 2022-08), p. 1973-1985
    In: Functional Ecology, Wiley, Vol. 36, No. 8 ( 2022-08), p. 1973-1985
    Abstract: Organismal traits may experience conflicting selection pressures if they fulfil different functions simultaneously. This can require trade‐offs between functions or alternatively functional separation between elements of the trait. An important multifunctional trait in insects is the cuticular hydrocarbon (CHC) layer. CHCs cover the body of nearly all insects, protect against desiccation and serve as a communication signal. In social insects like ants, they provide cues for nestmate recognition. To maintain their waterproofing function, insects have to adjust CHC composition to current temperatures. These changes might affect information content and interfere with communication, which would be especially detrimental in social insects. Here, we studied how acclimation affects nestmate recognition in two sister species of the ant genus Lasius . Colony fragments were exposed to three climate regimes. We analysed behaviour towards same and differently acclimated conspecifics, and determined which CHCs were related to acclimatory changes, colony differences and inter‐individual aggression. Differential acclimation led to higher aggression and chemical distances among former nestmates. We identified small CHC subsets, which only differed among colonies or among acclimation treatments. Moreover, few compounds sufficed to explain inter‐individual aggression, suggesting that ants do not use the entire CHC profile for nestmate recognition and that colony identity is encoded in a redundant way. Across individual CHCs, their contribution to colony differences and to differences among acclimatory treatments was negatively correlated, indicating that there is some degree of functional separation. However, CHC classes could not be clearly assigned to one or another function, indicating that the role of each CHC is idiosyncratic and may differ among species. Acclimatory effects and colony differences were more independent from each other in L. platythorax than in L. niger , indicating that functional separation can differ even among sister species. Our results show that CHC functions are more intertwined than previously assumed, suggesting that insects cannot optimise all functions independently. The main constraint might be the need to maintain a certain phase behaviour of the CHC layer, which depends on CHC composition and affects functionality. The need to separate functions might depend on species‐specific ecological and life‐history parameters. Read the free Plain Language Summary for this article on the Journal blog.
    Type of Medium: Online Resource
    ISSN: 0269-8463 , 1365-2435
    URL: Issue
    Language: English
    Publisher: Wiley
    Publication Date: 2022
    detail.hit.zdb_id: 2020307-X
    detail.hit.zdb_id: 619313-4
    SSG: 12
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  • 2
    In: Journal of Computational Chemistry, Wiley, Vol. 42, No. 26 ( 2021-10-05), p. 1885-1894
    Abstract: Photocatalytic water oxidation remains the bottleneck in many artificial photosynthesis devices. The efficiency of this challenging process is inherently linked to the thermodynamic and electronic properties of the chromophore and the water oxidation catalyst (WOC). Computational investigations can facilitate the search for favorable chromophore‐catalyst combinations. However, this remains a demanding task due to the requirements on the computational method that should be able to correctly describe different spin and oxidation states of the transition metal, the influence of solvation and the different rates of the charge transfer and water oxidation processes. To determine a suitable method with favorable cost/accuracy ratios, the full catalytic cycle of a molecular ruthenium based WOC is investigated using different computational methods, including density functional theory (DFT) with different functionals (GGA, Hybrid, Double Hybrid) as well as the semi‐empirical tight binding approach GFN‐xTB. A workflow with low computational cost is proposed that combines GFN‐xTB and DFT and provides reliable results. GFN‐xTB geometries and frequencies combined with single‐point DFT energies give free energy changes along the catalytic cycle that closely follow the full DFT results and show satisfactory agreement with experiment, while significantly decreasing the computational cost. This workflow allows for cost efficient determination of energetic, thermodynamic and dynamic properties of WOCs.
    Type of Medium: Online Resource
    ISSN: 0192-8651 , 1096-987X
    URL: Issue
    RVK:
    Language: English
    Publisher: Wiley
    Publication Date: 2021
    detail.hit.zdb_id: 1479181-X
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  • 3
    Online Resource
    Online Resource
    Wiley ; 2020
    In:  Hydrological Processes Vol. 34, No. 2 ( 2020-01), p. 321-338
    In: Hydrological Processes, Wiley, Vol. 34, No. 2 ( 2020-01), p. 321-338
    Abstract: In this study, we simulated the snow water equivalent (SWE), rain‐on‐snow (ROS) events, evapotranspiration, and run‐off for the period 1961–2016 in a central European region covered by low mountain ranges ( 〈 820 m a.s.l.) using a distributed hydrological model TRAnspiration and INterception evaporation model (TRAIN). We utilized improved cloud‐free Moderate Resolution Imaging Spectroradiometer (MODIS) snow cover products to evaluate the modelled snow‐covered area, indicating a good performance of the snow modelling. We analysed the intra‐ and inter‐annual variations of the simulated hydrological variables and the synchronous climate variables (air temperature and precipitation). Trend detection indicates a significant SWE decline throughout the snow season, but principally at the high elevations; the most severe warming occurred in early spring (March), whereas precipitation showed a slight increase in January and February. The snowpack in February has displayed the most striking reduction during the past 56 years, which is likely related to both the highest susceptibility of snow to warming and the increased ROS occurrence in February since the early 1990s. The increased combination of high temperatures and extreme rainfalls, as well as the earlier snowmelt, has resulted in a run‐off increase during the earlier winter but a decrease in March. The expected changing climate towards warmer and wetter winters will probably exacerbate winter flooding in the future.
    Type of Medium: Online Resource
    ISSN: 0885-6087 , 1099-1085
    URL: Issue
    Language: English
    Publisher: Wiley
    Publication Date: 2020
    detail.hit.zdb_id: 1479953-4
    SSG: 14
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  • 4
    In: ChemSusChem, Wiley, Vol. 15, No. 15 ( 2022-08-05)
    Abstract: Dye‐sensitized photoelectrochemical cells are promising devices in solar energy conversion. However, several limitations still have to be addressed, such as the major loss pathway through charge recombination at the dye‐semiconductor interface. Charge separating dyes constructed as push‐pull systems can increase the spatial separation of electron and hole, decreasing the recombination rate. Here, a family of dyes, consisting of polyphenylamine donors, fluorene bridges, and perylene monoimide acceptors, was investigated in silico using a combination of semi‐empirical nuclear dynamics and a quantum propagation of photoexcited electron and hole. To optimize the charge separation, several molecular design strategies were investigated, including modifying the donor molecule, increasing the π‐bridge length, and decoupling the molecular components through steric effects. The combination of a triphenylamine donor, using an extended 2‐fluorene π‐bridge, and decoupling the different components by steric hindrance from side groups resulted in a dye with significantly improved charge separation properties in comparison to the original supramolecular complex.
    Type of Medium: Online Resource
    ISSN: 1864-5631 , 1864-564X
    URL: Issue
    Language: English
    Publisher: Wiley
    Publication Date: 2022
    detail.hit.zdb_id: 2411405-4
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