Search results for "540"
showing 10 items of 720 documents
The Coordination of Uranyl in Water: A Combined Quantum Chemical and Molecular Simulation Study
2005
The coordination environment of uranyl in water has been studied using a combined quantum mechanical and molecular dynamics approach. Multiconfigurational wave function calculations have been performed to generate pair potentials between uranyl and water. The quantum chemically determined energies have been used to fit parameters in a polarizable force field with an added charge transfer term. Molecular dynamics simulations have been performed for the uranyl ion and up to 400 water molecules. The results show a uranyl ion with five water molecules coordinated in the equatorial plane. The U-O(H(2)O) distance is 2.40 A, which is close to the experimental estimates. A second coordination shell…
Measurement of acoustic attenuation in South Pole ice
2010
Using the South Pole Acoustic Test Setup (SPATS) and a retrievable transmitter deployed in holes drilled for the IceCube experiment, we have measured the attenuation of acoustic signals by South Pole ice at depths between 190 m and 500 m. Three data sets, using different acoustic sources, have been analyzed and give consistent results. The method with the smallest systematic uncertainties yields an amplitude attenuation coefficient alpha = 3.20 \pm 0.57 km^(-1) between 10 and 30 kHz, considerably larger than previous theoretical estimates. Expressed as an attenuation length, the analyses give a consistent result for lambda = 1/alpha of ~1/300 m with 20% uncertainty. No significant depth or …
The role of parasitism in adaptive radiations – when might parasites promote and when might they constrain ecological speciation?
2012
Research on speciation and adaptive radiation has flourished during the past decades, yet factors underlying initiation of reproductive isolation often remain unknown. Parasites represent important selective agents and have received renewed attention in speciation research. We review the literature on parasite-mediated divergent selection in context of ecological speciation and present empirical evidence for three nonexclusive mechanisms by which parasites might facilitate speciation: reduced viability or fecundity of immigrants and hybrids, assortative mating as a pleiotropic by-product of host adaptation, and ecologically-based sexual selection. We emphasise the lack of research on specia…
Chemical Properties of Element 105 in Aqueous Solution: Halide Complex Formation and Anion Exchange into Triisoctyl Amine
2017
Studies of the halide complexation of element 105 in aqueous solution were performed on 34-s 262Ha produced in the 249Bk(18-O,5n) reaction. The 262Ha was detected by measuring the fission and alpha activities associated with its decay and the alpha decays of its daughter, 4.3-s 258Lr. Time-correlated pairs of parent and daughter alpha particles provided a unique identification of the presence of 262Ha. About 1600 anion exchange separations of 262Ha from HCl and mixed HC1/HF solutions were performed on a one-minute time scale. Reversed-phase micro-chromatographic columns incorporating triisooctyl amine (TIOA) on an inert support were used in the computer-controlled liquid chromatography appa…
Practical strategies for stable operation of HFF-QCM in continuous air flow
2013
Currently there are a few fields of application using quartz crystal microbalances (QCM). Because of environmental conditions and insufficient resolution of the microbalance, chemical sensing of volatile organic compounds in an open system was as yet not possible. In this study we present strategies on how to use 195 MHz fundamental quartz resonators for a mobile sensor platform to detect airborne analytes. Commonly the use of devices with a resonant frequency of about 10 MHz is standard. By increasing the frequency to 195 MHz the frequency shift increases by a factor of almost 400. Unfortunately, such kinds of quartz crystals tend to exhibit some challenges to obtain a reasonable signal-to…
Loss of density-dependence and incomplete control by dominant breeders in a territorial species with density outbreaks
2011
Abstract Background A territory as a prerequisite for breeding limits the maximum number of breeders in a given area, and thus lowers the proportion of breeders if population size increases. However, some territorially breeding animals can have dramatic density fluctuations and little is known about the change from density-dependent processes to density-independence of breeding during a population increase or an outbreak. We suggest that territoriality, breeding suppression and its break-down can be understood with an incomplete-control model, developed for social breeders and social suppression. Results We studied density dependence in an arvicoline species, the bank vole, known as a terri…
Experimental investigation of anion-π interactions : Applications and biochemical relevance
2015
Chemical communications 52(9), 1778 - 1795(2016). doi:10.1039/C5CC09072E
Asymmetric Synthesis of Tetrahydrobenzofurans and Annulated Dihydropyrans via Cooperative One-Pot Organo- and Silver-Catalysis
2016
Synthesis : journal of synthetic organic chemistry 48(19), 3207-3216(2016). doi:10.1055/s-0035-1561468
Ion-Pairing Effects in the Self-Assembly of a Fluorescent Pseudorotaxane
2006
Herein we report on the self-assembly, in a low polarity solvent, of a pseudorotaxane species comprising binaphthyl-26-crown-8 (BN26C8) as the macrocyclic host and anthracenyl-benzylammonium as the threadlike positively charged guest (ABH+). Absorption and luminescence data reveal a very efficient energy transfer process occurring from the binaphthyl to the anthracene singlet excited states. The self-assembly is highly dependent on the nature of the counteranion confirming the crucial role played by it in the competition between the self-assembly process and the formation of ion pairs (ABH+X-). This behavior can be readily evidenced in dilute solutions from the analysis of the luminescence …
The influence of Sb doping on the local structure and disorder in thermoelectric ZnO:Sb thin films
2023
The experiment at HASYLAB/DESY was performed within the project I-20200161 EC. The research leading to this result has been supported by the project CALIPSOplus under the Grant Agreement 730872 from the EU Framework Programme for Research and Innovation HORIZON 2020. Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union's Horizon 2020 Framework Programme H2020-WIDESPREAD-01–2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART2. This work was carried out in part through the use of the INL Advanced Electron Microscopy, Imaging and Spectroscopy Facility. This work (proposal ID 2018–020-022469) was car…