Search results for "OA"
showing 10 items of 22575 documents
Use of Density Functional Based Tight Binding Methods in Vibrational Circular Dichroism.
2018
Vibrational circular dichroism (VCD) is a spectroscopic technique used to resolve the absolute configuration of chiral systems. Obtaining a theoretical VCD spectrum requires computing atomic polar and axial tensors on top of the computationally demanding construction of the force constant matrix. In this study we evaluated a VCD model in which all necessary quantities are obtained with density functional based tight binding (DFTB) theory. The analyzed DFTB parametrizations fail at providing accurate vibrational frequencies and electric dipole gradients but yield reasonable normal modes at a fraction of the computational cost of density functional theory (DFT). Thus, by applying DFTB in comp…
“Sweet” ionic liquid gels: materials for sweetening of fuels
2018
The search for new materials to be used in desulfurisation (sweetening) of fuels is one of the main topics of current research. In this paper, we explored the possibility of using supramolecular gels obtained from the gelation of ionic liquid binary mixtures. Indeed, some ionic liquids are generally known as efficient extraction phases for desulfurisation of fuels. In rare cases, one of their main drawbacks is their partial solubility in the fuel, leading to contamination. Then, their immobilisation due to the formation of a gelatinous network may be a challenge. Ionic liquid gels were obtained by mixing certain [NTf2]−-based ionic liquids (solvents) with the ones of gluconate-based ionic l…
Energy transfer in LH2 of Rhodospirillum Molischianum, studied by subpicosecond spectroscopy and configuration interaction exciton calculations.
2001
Two color transient absorption measurements were performed on a LH2 complex from Rhodospirillum molischianum by using several excitation wavelengths (790, 800, 810, and 830 nm) and probing in the spectral region from 790 to 870 nm at room temperature. The observed energy transfer time of ∼1.0 ps from B800 to B850 at room temperature is longer than the corresponding rates in Rhodopseudomonas acidophila and Rhodobacter sphaeroides. We observed variations (0.9-1.2 ps) of B800-850 energy transfer times at different B800 excitation wavelengths, the fastest time (0.9 ps) was obtained with 800 nm excitation. At 830 nm excitation the energy transfer to the B850 ring takes place within 0.5 ps. The m…
Injection and ultrafast regeneration in dye-sensitized solar cells
2014
Injection of an electron from the excited dye molecule to the semiconductor is the initial charge separation step in dye-sensitized solar cells (DSC's). Though the dynamics of the forward injection process has been widely studied, the results reported so far are controversial, especially for complete DSC's. In this work, the electron injection in titanium dioxide (TiO2) films sensitized with ruthenium bipyridyl dyes N3 and N719 was studied both in neat solvent and in a typical iodide/triiodide (I-/I3 -) DSC electrolyte. Transient absorption (TA) spectroscopy was used to monitor both the formation of the oxidized dye and the arrival of injected electrons to the conduction band of TiO2. Emiss…
Parasite–copepod interactions in Svalbard: diversity, host specificity, and seasonal patterns
2022
AbstractCopepods of the genera Calanus and Pseudocalanus are important components of Arctic marine ecosystems. Despite the key roles of these zooplankters, little is known about the organisms they interact with most intimately, their parasites and symbionts. We applied metabarcode sequencing to uncover eukaryotic parasites present within these two copepod genera from three areas around the high Arctic archipelago of Svalbard. Ten distinct parasite groups were observed: four different Apostome ciliates, four different dinoflagellates (Chytriodinium sp., Ellobiopsis sp., Thalassomyces sp., and Hematodinium sp.), a Paradinium sp., and a trematode. Apostome ciliates closely related to Pseudocol…
Genome architecture enables local adaptation of Atlantic cod despite high connectivity
2017
Adaptation to local conditions is a fundamental process in evolution; however, mechanisms maintaining local adaptation despite high gene flow are still poorly understood. Marine ecosystems provide a wide array of diverse habitats that frequently promote ecological adaptation even in species characterized by strong levels of gene flow. As one example, populations of the marine fish Atlantic cod (Gadus morhua) are highly connected due to immense dispersal capabilities but nevertheless show local adaptation in several key traits. By combining population genomic analyses based on 12K single-nucleotide polymorphisms with larval dispersal patterns inferred using a biophysical ocean model, we show…
The effects of environment on Arctica islandica shell formation and architecture
2017
Mollusks record valuable information in their hard parts that reflect ambient environmental conditions. For this reason, shells can serve as excellent archives to reconstruct past climate and environmental variability. However, animal physiology and biomineralization, which are often poorly un- derstood, can make the decoding of environmental signals a challenging task. Many of the routinely used shell-based proxies are sensitive to multiple different environmental and physiological variables. Therefore, the identification and in- terpretation of individual environmental signals (e.g., water temperature) often is particularly difficult. Additional prox- ies not influenced by multiple enviro…
Erratum to: Methods of Electron Microdiffraction and X-Ray Analysis in Structure Study of Nanodisperse Partially Stabilized ZrO2 Powders
2019
Analytical electron microscopy (AEM) has been used to study both structure and morphology of partially yttria-stabilized zirconia dioxide nanopowders (YSZ) obtained by wet-chemical methods (glycine and azeotropic distillation) and ceramics produced from them. Both morphological and structural inhomogeneity of nanopowders obtained by glycine (glc) method has been estimated. Besides the tetragonal ZrO2 phase (results of X-ray analyses) the cubic phase of ZrO2 with different degree of crystallinity has been estimated by Electron Microdiffraction (EMD) methods. In powders obtained by azeotropic distillation (dest) method besides the amorphous phase (identified in X-ray investigations) the high …
Controlled turbulence regime of electron cyclotron resonance ion source for improved multicharged ion performance
2020
Fundamental studies of excitation and non-linear evolution of kinetic instabilities of strongly nonequlibrium hot plasmas confined in open magnetic traps suggest new opportunities for fine-tuning of conventional electron cyclotron resonance (ECR) ion sources. These devices are widely used for the production of particle beams of high charge state ions. Operating the ion source in controlled turbulence regime allows increasing the absorbed power density and therefore the volumetric plasma energy content in the dense part of the discharge surrounded by the ECR surface, which leads to enhanced beam currents of high charge state ions. We report experiments at the ECR ion source at the JYFL accel…
Effect of space charge on the negative oxygen flux during reactive sputtering
2017
Negative ions often play a distinctive role in the phase formation during reactive sputter deposition. The path of these high energetic ions is often assumed to be straight. In this paper, it is shown that in the context of reactive magnetron sputtering space charge effects are decisive for the energetic negative ion trajectories. To investigate the effect of space charge spreading, reactive magnetron sputter experiments were performed in compound mode with target materials that are expected to have a high secondary ion emission yield (MgO and CeO2). By the combination of energy flux measurements, and simulations, a quantitative value for the negative oxygen ion yield can be derived.