Photodissociation of ozone in the Hartley band: Product state and angular distributions

Product state properties from the photodissociation of ozone in the ultraviolet Hartley band are investigated by trajectory surface-hopping calculations. The diabatic B and R state potential energy and coupling surfaces of Schinke and McBane [J. Chem. Phys. 132, 044305 (2010)] are employed. The properties computed include rotational and vibrational distributions in both the singlet and triplet channels, the total internal energy distribution in the triplet channel, and the photodissociation anisotropy parameter β role= presentation style= display: inline; line-height: normal; word-spacing: normal; word-wrap: normal; white-space: nowrap; float: none; direction: ltr; max-width: none; max-height: none; min-width: 0px; min-height: 0px; border: 0px; padding: 0px 2px 0px 0px; margin: 0px; position: relative; \u3eββ in the singlet channel. A method for computing β role= presentation style= display: inline; line-height: normal; word-spacing: normal; word-wrap: normal; white-space: nowrap; float: none; direction: ltr; max-width: none; max-height: none; min-width: 0px; min-height: 0px; border: 0px; padding: 0px 2px 0px 0px; margin: 0px; position: relative; \u3eββ from trajectories computed in internal Jacobi coordinates is described. In the singlet channel, the vibrational distribution is in good agreement with the experimental results. The observed increase in β role= presentation style= display: inline; line-height: normal; word-spacing: normal; word-wrap: normal; white-space: nowrap; float: none; direction: ltr; max-width: none; max-height: none; min-width: 0px; min-height: 0px; border: 0px; padding: 0px 2px 0px 0px; margin: 0px; position: relative; \u3eββ with increasing photolysis wavelength is reproduced by the calculations and is attributed to the effects of the bending potential on the B state late in the fragmentation. The computed β role= presentation style= display: inline; line-height: normal; word-spacing: normal; word-wrap: normal; white-space: nowrap; float: none; direction: ltr; max-width: none; max-height: none; min-width: 0px; min-height: 0px; border: 0px; padding: 0px 2px 0px 0px; margin: 0px; position: relative; \u3eββ values are too high with respect to experiment, and the peaks jmax role= presentation style= display: inline; line-height: normal; word-spacing: normal; word-wrap: normal; white-space: nowrap; float: none; direction: ltr; max-width: none; max-height: none; min-width: 0px; min-height: 0px; border: 0px; padding: 0px 2px 0px 0px; margin: 0px; position: relative; \u3ejmaxjmax of the singlet-channel rotational distributions are too low; these discrepancies are attributed to a too steep bending potential at long O–O distances. In the triplet channel, the main part of the internal energy distribution is described well by the calculations, although the detailed structures observed in the experiment are not reproduced. The experimental rotational distributions are well reproduced, although the maxima appear at slightly too high j role= presentation style= display: inline; line-height: normal; word-spacing: normal; word-wrap: normal; white-space: nowrap; float: none; direction: ltr; max-width: none; max-height: none; min-width: 0px; min-height: 0px; border: 0px; padding: 0px 2px 0px 0px; margin: 0px; position: relative; \u3ejj. The triplet state product energy distributions are shown to depend largely on the distribution of hopping points onto the R state surface. A Landau–Zener model constructed as a function of the O2 role= presentation style= display: inline; line-height: normal; word-spacing: normal; word-wrap: normal; white-space: nowrap; float: none; direction: ltr; max-width: none; max-height: none; min-width: 0px; min-height: 0px; border: 0px; padding: 0px 2px 0px 0px; margin: 0px; position: relative; \u3eO2O2 bond distance provides a good physical description of the two-state dynamics. The high internal energy O2 role= presentation style= display: inline; line-height: normal; word-spacing: normal; word-wrap: normal; white-space: nowrap; float: none; direction: ltr; max-width: none; max-height: none; min-width: 0px; min-height: 0px; border: 0px; padding: 0px 2px 0px 0px; margin: 0px; position: relative; \u3eO2O2 products that cannot be attributed to the excitation of the Herzberg states remain unexplained

Predicting color and short-circuit current of colored BIPV modules

Photovoltaic modules for façade integration should have a widely modifiable appearance to adjust to the architect’s requirements. However, architects today usually have only a limited number of already manufactured samples to choose from. Changing the color will also change the photovoltaic yield. Therefore, it would be helpful to have a procedure that allows us to determine the appearance and expected yield in advance of module fabrication. We present such a method for creating a digital prototype of a colored building integrated photovoltaic module. Using reflectance and external quantum efficiency measurements of eight colored modules, we simulate the appearance and respective energy yield for arbitrary module colors. We validate our predictions for 29 different colored modules. We use textiles that have been colored by printing and laminate them onto the modules to change the appearance of the modules. However, our digital prototyping model is also applicable to other coloring techniques. We achieve an average color difference of ΔE00 = 1.34 between predicted and measured colors, which is barely perceptible to the human eye. The predicted short-circuit current density of the digital prototype deviates on average less than 1% from the measured on

Damage estimation of subterranean building constructions due to groundwater inundation – the GIS-based model approach GRUWAD

The analysis and management of flood risk commonly focuses on surface water floods, because these types are often associated with high economic losses due to damage to buildings and settlements. The rising groundwater as a secondary effect of these floods induces additional damage, particularly in the basements of buildings. Mostly, these losses remain underestimated, because they are difficult to assess, especially for the entire building stock of flood-prone urban areas. For this purpose an appropriate methodology has been developed and lead to a groundwater damage simulation model named GRUWAD. The overall methodology combines various engineering and geoinformatic methods to calculate major damage processes by high groundwater levels. It considers a classification of buildings by building types, synthetic depth-damage functions for groundwater inundation as well as the results of a groundwater-flow model. The modular structure of this procedure can be adapted in the level of detail. Hence, the model allows damage calculations from the local to the regional scale. Among others it can be used to prepare risk maps, for ex-ante analysis of future risks, and to simulate the effects of mitigation measures. Therefore, the model is a multifarious tool for determining urban resilience with respect to high groundwater levels

Preparing athletes and teams for the Olympic Games: experiences and lessons learned from the world's best sport psychologists

As part of an increased effort to understand the most effective ways to psychologically prepare athletes and teams for Olympic competition, a number of sport psychology consultants have offered best-practice insights into working in this context. These individual reports have typically comprised anecdotal reflections of working with particular sports or countries; therefore, a more holistic approach is needed so that developing practitioners can have access to - and utilise - a comprehensive evidence-base. The purpose of this paper is to provide a panel-type article, which offers lessons and advice for the next generation of aspiring practitioners on preparing athletes and teams for the Olympic Games from some of the world’s most recognised and experienced sport psychologists. The sample comprised 15 sport psychology practitioners who, collectively, have accumulated over 200 years of first-hand experience preparing athletes and/or teams from a range of nations for six summer and five winter Olympic Games. Interviews with the participants revealed 28 main themes and 5 categories: Olympic stressors, success and failure lessons, top tips for neophyte practitioners, differences within one’s own consulting work, and multidisciplinary consulting. It is hoped that the findings of this study can help the next generation of sport psychologists better face the realities of Olympic consultancy and plan their own professional development so that, ultimately, their aspirations to be the world’s best can become a reality

A novel COL1A2 C-propeptide cleavage site mutation causing high bone mass osteogenesis imperfecta with a regional distribution pattern

Osteogenesis imperfecta (OI) is typically characterized by low bone mass and increased bone fragility caused by heterozygous mutations in the type I procollagen genes (COL1A1/COL1A2). We report two cases of a 56-year-old woman and her 80-year-old mother who suffered from multiple vertebral and non-vertebral fractures with onset in early childhood. A full osteologic assessment including dual-energy X-ray absorptiometry (DXA), high-resolution peripheral quantitative computed tomography (HR-pQCT), and serum analyses pointed to a high bone mineral density (BMD) in the hip (DXA Z-score + 3.7 and + 3.9) but low to normal bone mass in the spine and preserved bone microstructure in the distal tibia. Serum markers of bone formation and bone resorption were elevated. Using whole exome sequencing, we identified a novel mutation in the COL1A2 gene causing a p. (Asp1120Gly) substitution at the protein level and affecting the type I procollagen C-propeptide cleavage site. In line with previously reported cases, our data independently prove the existence of an unusual phenotype of high bone mass OI caused by a mutation in the procollagen C-propeptide cleavage with a clinically persistent phenotype through adulthood

Two-Color Coherent Photodissociation of Nitrogen Oxide in Intense Laser Fields

A simple one-dimensional semi-classical model with a Morse potential is used to investigate the possibility of two-color infrared multi-photon dissociation of vibrationally excited nitrogen oxide. The amplitude ratio effects and adiabatic effects are investigated. Some initial states are found to have thresholds smaller than expected from single-mode considerations and multiple thresholds exist for initial states up to 32. PACS: 42.50.HzComment: 3 pages, old papers, add source files to replace original postscrip

The Adaptation Challenges and Strategies of Adolescent Aboriginal Athletes Competing Off Reserve

Within the motivation literature, it has been indicated that athletes respond more effectively to sport’s contextual challenges through effective adaptation skills. Fiske identified five core motives as facilitators of the adaptation process across cultures: belonging, understanding, controlling, self-enhancement, and trusting. Through a cultural sport psychology approach, the adaptation challenges and strategies of Canadian Aboriginal adolescent athletes from one community (Wikwemikong) are described as they traveled off reserve to compete in mainstream sporting events. Concurrently, Fiske’s core motives are considered in relation to youth sport participants from the aforementioned Aboriginal community. Culture sensitive research methods among the Wikwemikong, including community meetings, talking circles (TCs), indigenous coding, and coauthoring, were employed in this article. Data are reflected in three themes: (a) challenges pursuing sport outside of the Aboriginal community in advance of bicultural encounters, (b) challenging bicultural encounters in Canadian mainstream sport contexts, and (c) specific responses to racism and discrimination

Random matrix description of decaying quantum systems

This contribution describes a statistical model for decaying quantum systems (e.g. photo-dissociation or -ionization). It takes the interference between direct and indirect decay processes explicitely into account. The resulting expressions for the partial decay amplitudes and the corresponding cross sections may be considered a many-channel many-resonance generalization of Fano's original work on resonance lineshapes [Phys. Rev 124, 1866 (1961)]. A statistical (random matrix) model is then introduced. It allows to describe chaotic scattering systems with tunable couplings to the decay channels. We focus on the autocorrelation function of the total (photo) cross section, and we find that it depends on the same combination of parameters, as the Fano-parameter distribution. These combinations are statistical variants of the one-channel Fano parameter. It is thus possible to study Fano interference (i.e. the interference between direct and indirect decay paths) on the basis of the autocorrelation function, and thereby in the regime of overlapping resonances. It allows us, to study the Fano interference in the limit of strongly overlapping resonances, where we find a persisting effect on the level of the weak localization correction.Comment: 16 pages, 2 figure

A novel approach to identify driver genes involved in androgen-independent prostate cancer

Abstract Background Insertional mutagenesis screens have been used with great success to identify oncogenes and tumor suppressor genes. Typically, these screens use gammaretroviruses (γRV) or transposons as insertional mutagens. However, insertional mutations from replication-competent γRVs or transposons that occur later during oncogenesis can produce passenger mutations that do not drive cancer progression. Here, we utilized a replication-incompetent lentiviral vector (LV) to perform an insertional mutagenesis screen to identify genes in the progression to androgen-independent prostate cancer (AIPC). Methods Prostate cancer cells were mutagenized with a LV to enrich for clones with a selective advantage in an androgen-deficient environment provided by a dysregulated gene(s) near the vector integration site. We performed our screen using an in vitro AIPC model and also an in vivo xenotransplant model for AIPC. Our approach identified proviral integration sites utilizing a shuttle vector that allows for rapid rescue of plasmids in E. coli that contain LV long terminal repeat (LTR)-chromosome junctions. This shuttle vector approach does not require PCR amplification and has several advantages over PCR-based techniques. Results Proviral integrations were enriched near prostate cancer susceptibility loci in cells grown in androgen-deficient medium (p < 0.001), and five candidate genes that influence AIPC were identified; ATPAF1, GCOM1, MEX3D, PTRF, and TRPM4. Additionally, we showed that RNAi knockdown of ATPAF1 significantly reduces growth (p < 0.05) in androgen-deficient conditions. Conclusions Our approach has proven effective for use in PCa, identifying a known prostate cancer gene, PTRF, and also several genes not previously associated with prostate cancer. The replication-incompetent shuttle vector approach has broad potential applications for cancer gene discovery, and for interrogating diverse biological and disease processes.http://deepblue.lib.umich.edu/bitstream/2027.42/109477/1/12943_2014_Article_1323.pd