Molecular symmetry group analysis of the low-wavenumber torsions and vibration-torsions in the S1 state and ground state cation of p-xylene: an investigation using resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy

For the first time, a molecular symmetry group (MSG) analysis has been undertaken in the investigation of the electronic spectroscopy of p-xylene (p-dimethylbenzene). Torsional and vibration-torsional (vibtor) levels in the S1 state and ground state of the cation of p-xylene (p-dimethylbenzene) are investigated using resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy. In the present work, we concentrate on the 0–350 cm 1 region, where there are a number of torsional and vibtor bands and we discuss the assignment of this region. In an accompanying paper [Tuttle et al. J. Chem. Phys. XXX, xxxxxx (2016)], we examine the 350–600 cm 1 region where vibtor levels are observed as part of a Fermi resonance. The similarity of much of the observed spectral activity to that in the related substituted benzenes, toluene and para-fluorotoluene, is striking, despite the different symmetries. The discussion necessitates a consideration of the MSG of p-xylene, which has been designated G72, but we shall also designate [3,3]D2h and we include the symmetry operations, character table and direct product table for this. We also discuss the symmetries of the internal rotor (torsional) levels and the selection rules for the particular electronic transition of p-xylene investigated here

Interband mixing between two-dimensional states localized in a surface quantum well and heavy hole states of the valence band in narrow gap semiconductor

Theoretical calculations in the framework of Kane model have been carried out in order to elucidate the role of interband mixing in forming the energy spectrum of two-dimensional carriers, localized in a surface quantum well in narrow gap semiconductor. Of interest was the mixing between the 2D states and heavy hole states in the volume of semiconductor. It has been shown that the interband mixing results in two effects: the broadening of 2D energy levels and their shift, which are mostly pronounced for semiconductors with high doping level. The interband mixing has been found to influence mostly the effective mass of 2D carriers for large their concentration, whereas it slightly changes the subband distribution in a wide concentration range.Comment: 12 pages (RevTEX) and 4 PostScript-figure

Anomalous magneto-oscillations in two-dimensional systems

The frequencies of Shubnikov-de Haas oscillations have long been used to measure the unequal population of spin-split two-dimensional subbands in inversion asymmetric systems. We report self-consistent numerical calculations and experimental results which indicate that these oscillations are not simply related to the zero-magnetic-field spin-subband densities.Comment: 4 pages, 3 figures; changed content (clarifications

Cyclotron resonance of the quasi-two-dimensional electron gas at Hg1-xCdxTe grain boundaries

The magnetotransmission of a p-type Hg0.766Cd0.234Te bicrystal containing a single grain boundary with an inversion layer has been investigated in the submillimetre wavelength range. For the first time the cyclotron resonance lines belonging to the various electric subbands of a quasi-two-dimensional carrier system at a grain boundary could be detected. The measured cyclotron masses and the subband densities determined from Shubnikov-de Haas experiments are compared with theoretical predictions and it is found that the data can be explained very well within the framework of a triangular well approximation model which allows for non-parabolic effects

Tunnelling Studies of Two-Dimensional States in Semiconductors with Inverted Band Structure: Spin-orbit Splitting, Resonant Broadening

The results of tunnelling studies of the energy spectrum of two-dimensional (2D) states in a surface quantum well in a semiconductor with inverted band structure are presented. The energy dependence of quasimomentum of the 2D states over a wide energy range is obtained from the analysis of tunnelling conductivity oscillations in a quantizing magnetic field. The spin-orbit splitting of the energy spectrum of 2D states, due to inversion asymmetry of the surface quantum well, and the broadening of 2D states at the energies, when they are in resonance with the heavy hole valence band, are investigated in structures with different strength of the surface quantum well. A quantitative analysis is carried out within the framework of the Kane model of the energy spectrum. The theoretical results are in good agreement with the tunnelling spectroscopy data.Comment: 29 pages, RevTeX, submitted in Phys.Rev.B. Figures available on request from [email protected]

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 for ISIMIP phases 2 and 3. The protocol prescribes lake simulations driven by climate forcing from gridded observations and different Earth system models under various representative greenhouse gas concentration pathways (RCPs), all consistently bias-corrected on a 0.5 degrees x 0.5 degrees 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 using uncalibrated models for 17 500 lakes defined for all global grid cells containing lakes. 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.Peer reviewe

Repeat Composition of CenH3-chromatin and H3K9me2-marked heterochromatin in Sugar Beet (Beta vulgaris)

Kowar T, Zakrzewski F, Macas J, et al. Repeat Composition of CenH3-chromatin and H3K9me2-marked heterochromatin in Sugar Beet (Beta vulgaris). BMC Plant Biology. 2016;16(1): 120.Background Sugar beet (Beta vulgaris) is an important crop of temperate climate zones, which provides nearly 30 % of the world’s annual sugar needs. From the total genome size of 758 Mb, only 567 Mb were incorporated in the recently published genome sequence, due to the fact that regions with high repetitive DNA contents (e.g. satellite DNAs) are only partially included. Therefore, to fill these gaps and to gain information about the repeat composition of centromeres and heterochromatic regions, we performed chromatin immunoprecipitation followed by sequencing (ChIP-Seq) using antibodies against the centromere-specific histone H3 variant of sugar beet (CenH3) and the heterochromatic mark of dimethylated lysine 9 of histone H3 (H3K9me2). Results ChIP-Seq analysis revealed that active centromeres containing CenH3 consist of the satellite pBV and the Ty3-gypsy retrotransposon Beetle7, while heterochromatin marked by H3K9me2 exhibits heterogeneity in repeat composition. H3K9me2 was mainly associated with the satellite family pEV, the Ty1-copia retrotransposon family Cotzilla and the DNA transposon superfamily of the En/Spm type. In members of the section Beta within the genus Beta, immunostaining using the CenH3 antibody was successful, indicating that orthologous CenH3 proteins are present in closely related species within this section. Conclusions The identification of repetitive genome portions by ChIP-Seq experiments complemented the sugar beet reference sequence by providing insights into the repeat composition of poorly characterized CenH3-chromatin and H3K9me2-heterochromatin. Therefore, our work provides the basis for future research and application concerning the sugar beet centromere and repeat rich heterochromatic regions characterized by the presence of H3K9me2