nils-herrmann/clean_scirepeval huggingface dataset:
Boron Boron One Electron Sigma Bonds versus B X B Bridged Structures.
Venue: Chemistry

The existence of one electron B B s bonds, for two different sets of compounds, was investigated by analyzing their electron density with different tools, namely QTAIM, ELF, NCIPLOT, and NBO approaches. Our results indicate that although the generic label "one electron sigma bond" is often used in the literature, the nature of these bonds varies considerably, or they even do not exist. The [B2 X6 radical anions give place to true covalent one electron s bonds, the stronger the more electronegative is the X substituent. When both boron atoms are substituents in a rigid aromatic moiety, such as naphthalene, to yield 1,8 disubstituted derivatives, two kinds of equilibrium structures are found, those also stabilized through a one electron s bond (X=OH, F, Cl, CN) and those stabilized by the formation of B X B bridges (X=H, OMe) These 1,8 BX2 naphthalene derivatives can be considered as analogues of 1,8 NX2 naphthalene proton sponges. While the latter are able to stabilize a proton between the two basic sites, the former are able to stabilize an electron between the two electron deficient B atoms. Interestingly, when all the H atoms attached to B are substituted by phenyl groups no one electron s bonds B B bonds are formed, due to the dispersion of the unpaired electron in the aromatic substituents.
Two Center/Three Electron Sigma Half Bonds in Main Group and Transition Metal Chemistry.
Venue: Accounts of chemical research

First proposed in a classic Linus Pauling paper, the two center/three electron (2c/3e) s half bond challenges the extremes of what may or may not be considered a chemical bond. Two electrons occupying a s bonding orbital and one electron occupying the antibonding s* orbital results in bond orders of ~0.5 that are characteristic of metastable and exotic species, epitomized in the fleetingly stable He2( ion. In this Account, I describe the use of coordination chemistry to stabilize such fugacious three electron bonded species at disparate ends of the periodic table. A recent emphasis in the chemistry of metal metal bonds has been to prepare compounds with extremely short metal metal distances and high metal metal bond orders. But similar chemistry can be used to explore metal metal bond orders less than one, including 2c/3e half bonds. Bimetallic compounds in the Ni2(II,III) and Pd2(II,III) oxidation states were originally examined in the 1980s, but the evidence collected at that time suggested that they did not contain 2c/3e s bonds. Both classes of compounds have been re examined using EPR spectroscopy and modern computational methods that show the unpaired electron of each compound to occupy a M M s* orbital, consistent with 2c/3e Ni Ni and Pd Pd s half bonds. Elsewhere on the periodic table, a seemingly unrelated compound containing a trigonal bipyramidal Cu3S2 core caused a stir, leaving prominent theorists at odds with one another as to whether the compound contains a S S bond. Due to my previous experience with 2c/3e metal metal bonds, I suggested that the Cu3S2 compound could contain a 2c/3e S S s half bond in the previously unknown oxidation state of S2(3 By use of the Cambridge Database, a number of other known compounds were identified as potentially containing S2(3 ligands, including a noteworthy set of cyclopentadienyl supported compounds possessing diamond shaped Ni2E2 units with E S, Se, and Te. These compounds were subjected to extensive studies using X ray absorption spectroscopy, X ray photoelectron spectroscopy, density functional theory, and wave function based computational methods, as well as chemical oxidation and reduction. The compounds contain E E 2c/3e s half bonds and unprecedented E2(3 "subchalcogenide" ligands, ushering in a new oxidation state paradigm for transition metal chalcogen chemistry.
The role of spatial boundaries in shaping long term event representations
Venue: Cognition

When remembering the past, we typically recall 'events' that are bounded in time and space. However, as we navigate our environment our senses receive a continuous stream of information. How do we create discrete long term episodic memories from continuous input? Although previous research has provided evidence for a role of spatial boundaries in the online segmentation of our sensory experience within working memory, it is not known how this segmentation contributes to subsequent long term episodic memory. Here we show that the presence of a spatial boundary at encoding (a doorway between two rooms) impairs participants' later ability to remember the order that objects were presented in. A sequence of two objects presented in the same room in a virtual reality environment is more accurately remembered than a sequence of two objects presented in adjoining rooms. The results are captured by a simple model in which items are associated to a context representation that changes gradually over time, and changes more rapidly when crossing a spatial boundary. We therefore provide the first evidence that the structure of long term episodic memory is shaped by the presence of a spatial boundary and provide constraints on the nature of the interaction between working memory and long term memory.
Eye Movements Reveal the Influence of Event Structure on Reading Behavior
Venue: Cogn. Sci.

When we read narrative texts such as novels and newspaper articles, we segment information presented in such texts into discrete events, with distinct boundaries between those events. But do our eyes reflect this event structure while reading? This study examines whether eye movements during the reading of discourse reveal how readers respond online to event structure. Participants read narrative passages as we monitored their eye movements. Several measures revealed that event structure predicted eye movements. In two experiments, we found that both early and overall reading times were longer for event boundaries. We also found that regressive saccades were more likely to land on event boundaries, but that readers were less likely to regress out of an event boundary. Experiment 2 also demonstrated that tracking event structure carries a working memory load. Eye movements provide a rich set of online data to test the cognitive reality of event segmentation during reading.
Story of a Mediation in the Clinical Setting.
Venue: The Journal of clinical ethics

Conflicts in the clinical setting can spiral downward with remarkable speed, as parties become ever more incensed and entrenched in their positions. Productive conversations seem unlikely at best. Nevertheless, such situations can sometimes be turned into collaborative problem solving with equally remarkable speed. For this to happen, those providing conflict resolution services such as mediation need to bring, not just a set of skills, but also some key norms: the process must be voluntary for all; the mediator must abjure giving advice or taking sides, and must honor the privacy of privately offered thoughts. This article describes a conflict that had reached the point of a hospital's requesting judicial coercion. However, a conflict resolution process was then initiated that, in the end, led to amicable resolution and mended relationships, obviating the need for court orders. This article describes that conflict and the resolution process in detail, along the way annotating specific strategies that are often highly effective.
Constructing a Theory: Einstein's Model

from his publications and letters, Albert Einstein considJudging ered it one of his important tasks to express and elaborate his views concerning the philosophy of science. There seem to have been two reasons for that. First, Einstein experienced in his own work in the early years, and then again among his "ablest students," how important the discussions concerning the aims and methods of the sciences are.1 Such interest was not merely a matter of intellectual curiosity but, in his opinion, went to the heart of the task of the innovator. Epistemology and science, he said, "are dependent on each other. Epistemology without contact with science becomes an empty scheme. Science without epistemology is insofar as it is thinkable at all primitive and muddled." At the same time he warned that the scientist cannot permit himself to be too restricted "by the adherence to an epistemological system" (Schilpp, pp. 683 84) He might, therefore, seem to be more a philosophical opportunist than school philosopher. However, that accusation seemed to bother Einstein as little as did the more serious attacks from so many other quarters upon his science and his other views. He avoided almost every opportunity either to engage in debates with opposing philosophers or to cite those who supported his views. Reading his opinions on age old questions of methodology, we feel we are given a direct report on a deeply felt, personal struggle with ideas. A second reason why a scientist concerned with the grand problems should not avoid epistemologie considerations was, in Einstein's opinion, that there simply was no other way. In our time, when scientific foundations are changing rapidly, "the physicist cannot simply surrender to the philosopher the critical contemplation of the theoretical foundations; for he himself knows best and feels most surely where the shoe pinches" (Ideas and Opinions, p. 290) With these motivations, Einstein found himself publishing con
Sleep problems and internet addiction among children and adolescents: a longitudinal study
Venue: Journal of sleep research

Although the literature has documented associations between sleep problems and internet addiction, the temporal direction of these relationships has not been established. The purpose of this study is to evaluate the bidirectional relationships between sleep problems and internet addiction among children and adolescents longitudinally. A four wave longitudinal study was conducted with 1253 children and adolescents in grades 3, 5 and 8 from March 2013 to January 2014. The sleep problems of the student participants were measured by parental reports on the Sleep Habit Questionnaire, which catalogues early insomnia, middle insomnia, disturbed circadian rhythm, periodic leg movements, sleep terrors, sleepwalking, sleep talking, nightmares, bruxism, snoring and sleep apnoea. The severity of internet addiction was measured by students' self reports on the Chen Internet Addiction Scale. Based on the results of time lag models, dyssomnias (odds ratio 1.31) especially early and middle insomnias (odds ratio 1.74 and 2.24) sequentially predicted internet addiction, and internet addiction sequentially predicted disturbed circadian rhythm (odds ratio 2.40) regardless of adjustment for gender and age. This is the first study to demonstrate the temporal relationship of early and middle insomnia predicting internet addiction, which subsequently predicts disturbed circadian rhythm. These findings imply that treatment strategies for sleep problems and internet addiction should vary according to the order of their occurrence.
Factors Determining Optimal Fatty Acid Absorption in Preterm Infants
Venue: Journal of pediatric gastroenterology and nutrition

The aim of the present study was to quantify absorption coefficients of specific fatty acids in preterm infants as a function of diet, formula or breast milk (BM) and postnatal age; to identify the fatty acid structural characteristics that determine optimal fatty acid absorption.  Fatty acids from dietary and fecal samples were extracted and quantified by gas chromatography mass spectroscopy. Fatty acid absorption coefficients (FA CFAs) were calculated by comparing the total amount of fatty acids supplied by the diet to the amount quantified in the total fecal output during a 3 day period.  A total of 18 infants (BM 8, formula 10) were studied at 2 weeks of age, and 20 infants (BM 10, formula 10) were studied at 6 weeks of age. FA CFAs decreased with increasing carbon length in formula fed infants at 2 and 6 weeks. Results were similar but less in magnitude in BM fed infants at 2 weeks with no difference at 6 weeks.  Preterm infants fed formula demonstrated lower FA CFAs as a function of increasing carbon length. This is consistent with limited pancreatic lipase production and with lipase being present in BM but not in formula. The fact that this pattern was seen in BM fed infants at 2 weeks but not 6 weeks of age suggests that intestinal immaturity may also play a role in impaired fatty acid absorption. These data highlight principles that need to be considered to optimize delivery and absorption of dietary long chain polyunsaturated fatty acids in preterm infants.
Evidence of In Vivo Absorption of Lactate and Modulation of Short Chain Fatty Acid Absorption from the Reticulorumen of Non Lactating Cattle Fed High Concentrate Diets
Venue: PloS one

Short chain fatty acids (SCFAs) and lactate are endproducts of rumen fermentation and important energy sources for the host ruminant. Because their rapid accumulation results in ruminal acidosis, enhancement of the absorption of SCFA and lactate across reticuloruminal wall is instrumental in increasing energy supply and preventing ruminal acidosis in cattle. This study investigated whether the reticuloruminal absorption of SCFAs and lactate was altered by different strategies of high concentrate feeding. Eight rumen cannulated, non lactating Holstein cows were fed a forage only diet (baseline) and then gradually adapted over 6 d to a 60% concentrate level. Thereafter, this concentrate rich diet was fed for 4 wk either continuously (Con; n 8) or interruptedly (Int; n 8) Absorption of SCFAs and lactate was determined in vivo from the experimental buffer introduced into the washed reticulorumen. The buffer contained acetate, propionate, butyrate and lactate at a concentration of 60, 30, 10 and 5 mmol/L, respectively and Cr EDTA as a marker for correcting ruminal water fluxes. The reticuloruminal absorption after 35 and 65 min of buffer incubation was measured at the baseline, after 1 wk of 60% concentrate feeding in the interrupted model (Int 1) and after 4 wk of concentrate feeding in both feeding models (Int 4 and Con 4) Data showed that the absorption rates of individual and total SCFAs during the first 35 min of incubation of Con 4 were highest ~1.7 times compared to baseline) while Int 1 and Int 4 were similar to respective baseline. Lactate was not absorbed during forage only baseline and 1 wk concentrate feeding, but after 4 wk feeding of concentrates in both models. In conclusion, SCFAs absorption across the reticulorumen of non lactating cattle was enhanced by the 4 wk continuous concentrate feeding, which seems to be more advantageous in terms of rumen acidosis prevention compared to the interrupted feeding model. The study provides evidence of lactate absorption across the reticulorumen of non lactating cattle after both continuous and interrupted 4 wk concentrate feeding.
Social capital, trust, and adaptation to climate change: Evidence from rural Ethiopia

Climate change is expected to have particularly severe effects on poor agrarian populations. Rural households in developing countries adapt to the risks and impacts of climate change both individually and collectively. Empirical research has shown that access to capital financial, human, physical, and social is critical for building resilience and fostering adaptation to environmental stresses. Little attention, however, has been paid to how social capital generally might facilitate adaptation through trust and cooperation, particularly among rural households and communities. This paper addresses the question of how social capital affects adaptation to climate change by rural households by focusing on the relationship of household and collective adaptation behaviors. A mixed methods approach allows us to better account for the complexity of social institutions at the household, community, and government levels which drive climate adaptation outcomes. We use data from interviews, household surveys, and field experiments conducted in 20 communities with 400 households in the Rift Valley of Ethiopia. Our results suggest that qualitative measures of trust predict contributions to public goods, a result that is consistent with the theorized role of social capital in collective action. Yet qualitative trust is negatively related to private household level adaptation behaviors, which raises the possibility that social capital may, paradoxically, be detrimental to private adaptation. Policymakers should account for the potential difference in public and private adaptation behaviors in relation to trust and social capital when designing interventions for climate adaptation.
Causal Discovery from Subsampled Time Series Data by Constraint Optimization
Venue: Probabilistic Graphical Models

This paper focuses on causal structure estimation from time series data in which measurements are obtained at a coarser timescale than the causal timescale of the underlying system. Previous work has shown that such subsampling can lead to significant errors about the system's causal structure if not properly taken into account. In this paper, we first consider the search for the system timescale causal structures that correspond to a given measurement timescale structure. We provide a constraint satisfaction procedure whose computational performance is several orders of magnitude better than previous approaches. We then consider finite sample data as input, and propose the first constraint optimization approach for recovering the system timescale causal structure. This algorithm optimally recovers from possible conflicts due to statistical errors. More generally, these advances allow for a robust and non parametric estimation of system timescale causal structures from subsampled time series data.
An Efficient Fusion Move Algorithm for the Minimum Cost Lifted Multicut Problem
Venue: ECCV

Many computer vision problems can be cast as an optimization problem whose feasible solutions are decompositions of a graph. The minimum cost lifted multicut problem is such an optimization problem. Its objective function can penalize or reward all decompositions for which any given pair of nodes are in distinct components. While this property has many potential applications, such applications are hampered by the fact that the problem is NP hard. We propose a fusion move algorithm for computing feasible solutions, better and more efficiently than existing algorithms. We demonstrate this and applications to image segmentation, obtaining a new state of the art for a problem in biological image analysis.
Integrative Analysis of Cellular Morphometric Context Reveals Clinically Relevant Signatures in Lower Grade Glioma
Venue: MICCAI

Integrative analysis based on quantitative representation of whole slide images (WSIs) in a large histology cohort may provide predictive models of clinical outcome. On one hand, the efficiency and effectiveness of such representation is hindered as a result of large technical variations (e.g. fixation, staining) and biological heterogeneities (e.g. cell type, cell state) that are always present in a large cohort. On the other hand, perceptual interpretation/validation of important multivariate phenotypic signatures are often difficult due to the loss of visual information during feature transformation in hyperspace. To address these issues, we propose a novel approach for integrative analysis based on cellular morphometric context, which is a robust representation of WSI, with the emphasis on tumor architecture and tumor heterogeneity, built upon cellular level morphometric features within the spatial pyramid matching (SPM) framework. The proposed approach is applied to The Cancer Genome Atlas (TCGA) lower grade glioma (LGG) cohort, where experimental results (i) reveal several clinically relevant cellular morphometric types, which enables both perceptual interpretation/validation and further investigation through gene set enrichment analysis; and (ii) indicate the significantly increased survival rates in one of the cellular morphometric context subtypes derived from the cellular morphometric context.
Sustainability of Intensification of Smallholder Maize Production in Tanzania

Tanzania's fast growing population will increase the demand for food crops, particularly maize. Sustainable intensification is needed to meet this demand while, at the same time, preserving the environment and climate. A joint project of Yara, Syngenta, Sokoine University of Agriculture, and the Norwegian University of Life Sciences demonstrated that a balanced supply of crop nutrients together with other improved practices has the potential to increase maize yields and farm profitability. A framework was developed and applied to assess the potential impacts of different cropping intensities on climate, soil, water, and biodiversity in order to evaluate the environmental sustainability of the measures. Maize yields increased by 49 163 compared to prevailing farmer practice (FP) This in turn may reduce the need for arable land expansion and thus potentially avoid GHG emissions. If GHG emissions from potential arable land expansion into tropical scrubland are considered, GHG emissions from the low yielding treatments would be 3.6 12 times greater than the CFP of the improved protocol. Low positive soil nutrient balances with the improved cropping protocol indicate sustainable fertilizer use, which can replenish the soil with sufficient nutrients. In contrast, FP often showed negative nutrient balances, signifying unsustainable nutrient mining even at low yield levels. The increased nitrogen rates and crop productivity lead to increased soil acidification, which needs compensation from liming. The improved maize protocol doubled maize stover biomass, which can be used to improve the organic matter and fertility of the soil either through direct incorporation into the soil or through feeding livestock and producing and applying manure. A water footprint calculation at one site revealed that the maize produced according to FP consumed 50 more water per ton of grain compared to the improved protocol. Biodiversity was assessed in different ways. In field biodiversity was reduced with the suggested protocol, while on farm biodiversity was enhanced through the planting of additional trees instead of expanding cropland. About 50 less land was needed to produce one ton of maize grain, reducing pressure for land expansion that would have potential negative effects on biodiversity on a larger scale.
The Raise of the Robots in Virtual Worlds: A Comparison and a Framework for Investigating Bots in Social Networks Sites and MMOGs

Bots are computer programs that automate activities for the human user. While benign bots are widely diffused over the Internet, Virtual Worlds such as Social Network Sites and Massively Multiplayer Online Games are affected by bots that have malicious intents, causing harms, disruptions and illegal activities. Given the diffusion and problems caused by malicious bots in Virtual Worlds, it becomes relevant: (1) to investigate the phenomenon and develop conceptual tools to capture the problem and (2) to conduct this investigation using a comparative perspective for Social Network Sites and Massively Multiplayer Online Games.