Structure and Optical Bandgap Relationship of π-Conjugated Systems

In bulk heterojunction photovoltaic systems both the open-circuit voltage as well as the short-circuit current, and hence the power conversion efficiency, are dependent on the optical bandgap of the electron-donor material. While first-principles methods are computationally intensive, simpler model Hamiltonian approaches typically suffer from one or more flaws: inability to optimize the geometries for their own input; absence of general, transferable parameters; and poor performance for non-planar systems. We introduce a set of new and revised parameters for the adapted Su-Schrieffer-Heeger (aSSH) Hamiltonian, which is capable of optimizing geometries, along with rules for applying them to any -conjugated system containing C, N, O, or S, including non-planar systems. The predicted optical bandgaps show excellent agreement to UV-vis spectroscopy data points from literature, with a coefficient of determination , a mean error of −0.05 eV, and a mean absolute deviation of 0.16 eV. We use the model to gain insights from PEDOT, fused thiophene polymers, poly-isothianaphthene, copolymers, and pentacene as sources of design rules in the search for low bandgap materials. Using the model as an in-silico design tool, a copolymer of benzodithiophenes along with a small-molecule derivative of pentacene are proposed as optimal donor materials for organic photovoltaics.     

Cultural longevity: Morin on cultural lineages

Morin has written a rich and valuable book. Its main aim is to isolate the factors involved in maintaining behavioural lineages over time, and to understand how these factors might interact. In doing so, it takes issue with the abstract and idealised models and arguments of dual-inheritance theorists, which are alleged in this account to rely on an overly simplistic notion of imitative learning. Morin’s book is full of ethnographic, anthropological, and psychological research, and there is much to commend in it. However, Morin’s arguments against the dual-inheritance theorists are less convincing when put under scrutiny, and his positive picture which includes appeals to ostensive communication, intrinsic appeal and cultural attraction has some difficulties. I argue that when we contrast dual-inheritance theorists and Morin, we find that there may be fewer differences and greater commonalities than Morin’s book might suggest.     

Information Structure Influences Depth of Syntactic Processing: Event-Related Potential Evidence for the Chomsky Illusion

Information structure facilitates communication between interlocutors by highlighting relevant information. It has previously been shown that information structure modulates the depth of semantic processing. Here we used event-related potentials to investigate whether information structure can modulate the depth of syntactic processing. In question-answer pairs, subtle (number agreement) or salient (phrase structure) syntactic violations were placed either in focus or out of focus through information structure marking. P600 effects to these violations reflect the depth of syntactic processing. For subtle violations, a P600 effect was observed in the focus condition, but not in the non-focus condition. For salient violations, comparable P600 effects were found in both conditions. These results indicate that information structure can modulate the depth of syntactic processing, but that this effect depends on the salience of the information. When subtle violations are not in focus, they are processed less elaborately. We label this phenomenon the Chomsky illusion.     

Xenotransplantation: Biotechnological Aspects and Current Attitudes

Xenotransplantation of organs from the large domestic species will only be successful if the donor animals have been genetically modified, in particular regarding the α-Gal epitope, certain human complements (CD55 and CD59) and/or H-transferase. This requires, among other things, major embryo-technological efforts, and the rate of success is still far from an acceptable level in the domestic species. It is currently poor, but the progress is very good. In this brief review certain embryo-technological problems will be addressed with the focus on the pig as potential organ donor. In addition, certain views of the Danish ad hoc Committee on Gene Technology on xenotransplantation will be presented in this context as they are supposed to mirror the concern and the views of the issues important for the public and each individual.     

A rare hybridization event in two common Caribbean wrasses (genus <Emphasis Type="Italic">Halichoeres</Emphasis>; family Labridae)

Molecular tools were used to evaluate the hybrid status of a specimen with intermediate colour pattern between Halichoeres bivittatus and Halichoeres garnoti from Belize. Phylogenetic analyses of the two species, eight Halichoeres species from new and old world lineages and two outgroups showed that the study species are closely related and that H. garnoti is the maternal contributor to the putative hybrid specimen, based on partial mitochondrial COI data. Direct sequencing of Intron 1 of the nuclear ribosomal protein S7 identified H. bivittatus as sister to H. garnoti with the putative hybrid specimen in an intermediate position, due to heterozygosity at nucleotides alternatively fixed in the two putative parent species. This is consistent with the hybrid status of the specimen, with parental contributions from both H. garnoti and H. bivittatus. These results, combined with no evidence of introgression between the two parent species (based on the mtDNA and the single investigated nuclear marker) and the biogeography and ecology of these species suggests that this is a rare event with minimal evolutionary implications.     

Validation of Chinese Version of Polycystic Ovary Syndrome Health-Related Quality of Life Questionnaire (Chi-PCOSQ)

ObjectivesTo evaluate the responsiveness, longitudinal validity, and measurement invariance of the Chinese version of the Polycystic Ovary Syndrome Health-related Quality of Life Questionnaire (Chi-PCOSQ).ResultsWith improved 2-hour glucose and insulin levels, we also found significantly increased Chi-PCOSQ total and individual domain scores (total score: t (49) = 5.20; p < 0.001, domain scores: t (49) = 2.72 to 3.87; p < 0.01), except for hair growth. Half of the domains scores (3 of 6) and the total score of Chi-PCOSQ had a medium responsiveness, but WHOQOL-BREF was not sufficiently responsive to clinical changes of PCOS. Improved PCOS-specific health-related quality of life (HRQoL), as indicated by Chi-PCOSQ scores, was significantly associated with improved 2-hour glucose and insulin levels. All indices of the data-model fit of the Chi-PCOSQ structure were satisfactory, except for the slightly high standardized root mean square residual values (0.087 to 0.088). The measurement invariance of Chi-PCOSQ was supported across time.ConclusionChi-PCOSQ is sufficiently sensitive in detecting clinical changes and its measurement structure is suitable for Chinese women with PCOS. It is thus a promising tool for assessing the HRQoL of ethnic Chinese women with PCOS.     

GIS-based Tools for Regional Assessments and Planning Processes Regarding Potential Environmental Effects of Poplar SRC

Based on regional stakeholder preferences and planning guidelines as allocation criteria for SRC, this study aims at providing a transparent approach to evaluate multiple environmental effects and the regional significance of SRC systems. Using the example of two poplar SRC-systems (4-year rotation, 9-year rotation) the potential effects on ground water supply, wind erosion, and biodiversity aspects are evaluated in comparison to arable land for two selected municipalities in the district of Uelzen, Germany. Building on fuzzy membership functions and simple fuzzy-logic rules, the qualitative multi-criteria assessment is transparent and easily to adapt. This approach is transferable to other regions and spatial levels, since it derives from commonly available data and scientific evidence. Results show that implementation of SRC could provide multiple beneficial environmental effects, especially in areas with low landscape heterogeneity. The tools provided allow for a multi-criteria evaluation of environmental effects, and reveal the sensitivity to distinct allocation patterns. Physiographical conditions of the study area implicate a preference for mini-SRC systems. This is supported by smaller decline of annual deep percolation water compared to maxi-SRC. On average, decline in groundwater recharge of mini-SRC (92mm a⁻¹) is comparable to irrigated arable land (80mm a⁻¹), which is common practice in the study area. Currently, the utilization of beneficial environmental SRC effects is quite limited, since only 3 % of arable land is suitable for SRC implementation regarding farmers’ preferences for SRC allocation. Allocation preferences could however change substantially with increasing incentives for SRC, e.g., due to regional bioenergy schemes or “Greening” initiatives within the European Common Agricultural Policy, which is to be reformed by 2013.