nils-herrmann/clean_scirepeval huggingface dataset:
Conducting Salts Composed of Selenium Analogues of TMET-TTP

Selenium analogues of TMET-TTP (2-(4,5-bisthiomethyl-1,3-dithiol-2-ylidene)-5-(4,5-ethylenedithio-1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalene) 1b-d have been synthesized. The iodine salt (1b)4I3 exhibits moderately high conductivity (σrt=13S cm−1) with semiconducting temperature dependence, and the donor arrangement is θ-type. The present θ-type salt as well as TMET-TTP salts is located at the insulating limit in the universal phase diagram of θ-phases.

Field of study: Chemistry
Structural changes caused by radiation-induced reduction and radiolysis: the effect of X-ray absorbed dose in a fungal multicopper oxidase.

X-ray radiation induces two main effects at metal centres contained in protein crystals: radiation-induced reduction and radiolysis and a resulting decrease in metal occupancy. In blue multicopper oxidases (BMCOs), the geometry of the active centres and the metal-to-ligand distances change depending on the oxidation states of the Cu atoms, suggesting that these alterations are catalytically relevant to the binding, activation and reduction of O(2). In this work, the X-ray-determined three-dimensional structure of laccase from the basidiomycete Coriolopsis gallica (Cg L), a high catalytic potential BMCO, is described. By combining spectroscopic techniques (UV-Vis, EPR and XAS) and X-ray crystallography, structural changes at and around the active copper centres were related to pH and absorbed X-ray dose (energy deposited per unit mass). Depletion of two of the four active Cu atoms as well as low occupancies of the remaining Cu atoms, together with different conformations of the metal centres, were observed at both acidic pH and high absorbed dose, correlating with more reduced states of the active coppers. These observations provide additional evidence to support the role of flexibility of copper sites during O(2) reduction. This study supports previous observations indicating that interpretations regarding redox state and metal coordination need to take radiation effects explicitly into account.

Field of study: Chemistry
WITHDRAWN: Bi-layer structures as solid oxide fuel cell interconnections

A new approach for lower operating temperature solid oxide fuel cells (SOFCs) interconnections (IC) consisting of a bi-layer structure is proposed and analyzed. The bi-layer structure consists of a p-type layer exposed tocathodic gas (air/oxygen) and an n-type layer exposed to anodic gas (fuel). It is theoretically shown that the interfacial oxygen partial pressure which is an important design variable is dependent primarily on the oxygen partial pressure gradient across the IC, the low level oxygen conductivities of the two layers and is largely independent of their electronic conductivities and the total current density through the IC material. By careful design of the composition and thicknesses of the two layers, one can in principle obtain an IC with a low cell-to-cell resistance.

Field of study: Materials science
Urban weather modeling applications: A Vienna case study

Recently, the interest in urban weather modeling methods has been steadily increasing. This is in part due to the insight that thermal building performance simulations are typically undertaken with standardized weather files that provide a rather general perspective on urban weather conditions. This may lead toward errors in conclusions drawn from modeling efforts. In this context, present contribution reports on the potential of different approaches to generate location-dependent urban meteorological data. We compare the meteorological output generated with the Weather Research and Forecasting (WRF) model, Urban Weather Generator, and morphing approach. These methods were compared based on empirical data (air temperature, humidity, and wind speed) collected from two distinct urban locations in Vienna, Austria, over 5 study periods. Our results suggest significant temporal and spatial discrepancies in resulting modeling output. Results further suggest better predictive performance in the case of high-density urban areas and under warmer and extreme conditions in spring and summer periods, respectively.

Field of study: Engineering
A pervasive denigration of natural history misconstrues how biodiversity inventories and taxonomy underpin scientific knowledge

Embracing comparative biology, natural history encompasses those sciences that discover, decipher and classify unique (idiographic) details of landscapes, and extinct and extant biodiversity. Intrinsic to these multifarious roles in expanding and consolidating research and knowledge, natural history endows keystone support to the veracity of law-like (nomothetic) generalizations in science. What science knows about the natural world is governed by an inherent function of idiographic discovery; characteristic of natural history, this relationship is exemplified wherever an idiographic discovery overturns established wisdom. This nature of natural history explicates why inventories are of such epistemological importance. Unfortunately, a Denigration of Natural History weakens contemporary science from within. It expresses in the prevalent, pervasive failure to appreciate this pivotal role of idiographic research: a widespread disrespect for how natural history undergirds scientific knowledge. Symptoms of this Denigration of Natural History present in negative impacts on scientific research and knowledge. One symptom is the failure to appreciate and support the inventory and monitoring of biodiversity. Another resides in failures of scientiometrics to quantify how taxonomic publications sustain and improve knowledge. Their relevance in contemporary science characteristically persists and grows; so the temporal eminence of these idiographic publications extends over decades. This is because they propagate a succession of derived scientific statements, findings and/or conclusions - inherently shorter-lived, nomothetic publications. Widespread neglect of natural science collections is equally pernicious, allied with disregard for epistemological functions of specimens, whose preservation maintains the veracity of knowledge. Last, but not least, the decline in taxonomic expertise weakens research capacity; there are insufficient skills to study organismal diversity in all of its intricacies. Beyond weakening research capacities and outputs across comparative biology, this Denigration of Natural History impacts on the integrity of knowledge itself, undermining progress and pedagogy throughout science. Unprecedented advances in knowledge are set to follow on consummate inventories of biodiversity, including the protists. These opportunities challenge us to survey biodiversity representatively—detailing the natural history of species. Research strategies cannot continue to ignore arguments for such an unprecedented investment in idiographic natural history. Idiographic shortcuts to general (nomothetic) insights simply do not exist. The biodiversity sciences face a stark choice. No matter how charismatic its portrayed species, an incomplete ‘Brochure of Life’ cannot match the scientific integrity of the ‘Encyclopedia of Life’.

Field of study: Environmental science
Deep-water facies succession around the Cenomanian–Turonian boundary in the Outer Carpathian basin: Sedimentary, biotic and chemical records in the Silesian Nappe, Poland

Facies succession, organic carbon stable isotopes and chemical data, together with benthic foraminiferal records from the Barnasiowka–Trzemeśnia composite section (Silesian Nappe, Poland) reflect changing oceanographic conditions across the Cenomanian–Turonian transition in one of the largest basins of the Outer Carpathians, whose floor was situated beneath the calcium compensation depth. The sediments consist of non-calcareous radiolarian shales, turbidite intercalations rich in foraminifers and sponge spicules as well as siliciclastics, and black shales with marine type of organic matter (TOC up to 6.5 wt.%), corresponding to global Oceanic Anoxic Event 2. The base of OAE-2 has been identified on the basis of organic carbon isotope data, as a positive excursion from − 26.0‰ to the peak of − 23.2‰ in the latest Cenomanian. The top of the OAE-2 lies within a succession of oxidized siliceous–manganiferous sediments including a Fe–Mn layer with macronodules. The organic-rich sedimentation continued for about 400 kyr at a rate of ca. 5.5 mm/kyr, and finished before the start of the Turonian. Deep-water agglutinated foraminiferal diversification and extinction of several taxa occurred during the early part of the OAE-2, due to expanding bottom water anoxia. Chemical indices and benthic foraminiferal assemblages reveal periodic intervals of intensification and expansion of oxygen minimum zone at the basin floor before and after the OAE-2. Two early diagenetic ferromanganese layers with macronodules and siliceous–manganiferous red and green shales directly overlying the organic-rich facies, reflect changes in oxygenation of the bottom water, related to changes in their dynamics, which took place near the C–T boundary and in the earliest Turonian. This condensed Fe–Mn succession records the maximum flooding of the late Cenomanian–early Turonian transgression.

Field of study: Environmental science, Geography
Mono- und Dioxetane von 2,5-Anhydroalditolen, Synthesen und Reaktionen

Ausgehend von geeigneten 2,5-Anhydroalditolen wurden durch selektive Monotosylierung primarer Hydroxyfunktionen und nachfolgende Basenbehandlung die Monooxetane 3, 9, 15 und 20 dargestellt. Durch entsprechende Reaktionen wurden auch die zwei Oxetanringe enthaltenden 1,3:2,5:4,6-Trianhydrohexitole 10 und 21 mit L-ido- bzw. meso-galacto-Konfiguration erhalten. Nucleophile Ringoffnungsreaktionen einiger dieser Mono- und Dioxetane wurden untersucht und so neue Derivate von 2,5-Anhydrohexitolen mit L-ido- und D-gluco-Konfiguration zuganglich gemacht. 
 
 
 
Mono- and Dioxetanes of 2,5-Anhydroalditols, Syntheses and Reactions 
 
 
 
Starting from appropriate 2,5-anhydroalditols the monooxetanes 3, 9, 15, and 20 have been prepared by selective monotosylation of primary hydroxy groups and subsequent treatment with base. Analogous reactions gave the 1,3:2,5:4,6-trianhydrohexitols 10 and 21 with two oxetane rings and with L-ido and meso-galacto configuration, respectively. Nucleophilic ring opening of some of these mono- and dioxetanes was studied, and new derivatives of 2,5-anhydrohexitols of L-ido and D-gluco configuration are thus available.

Field of study: Chemistry
Studies on liver protection of compound wurenchun capsules by serum pharmacology

To establish a serum pharmacology testing method for compound wurenchun capsules(CWC).Methods:Model of CCl4-induced injury of primary culture hepatocyte was established and rat was used as the donor to prepare serum containing CWC.With hepatocyte increment(MTT),alanine aminotransferase(ALT) in cell culture medium and the content of schisandrin in serum as indices,single-factor investigation and multiple-factor orthogonal experiment were carried out,using serum or plasma,and serum containing drug in culture system of different concentration on pharmacological effect and to screen of the preparative method of serum containing drug and its suitable concentration in culture system.Normal rats as the donator of serum,using methanolic extract of CWC,10 times equivalent dose for adults every day,intragastric administration twice a day of 8-hour interval,keeping on 3 days,hemospasia after 2 hours of the last administration was the better preparative method of the serum containing drug.Adding 10% of this serum to culture system could elevate hepatocyte increment and depress ALT in cell culture medium significantly.Serum containing CWC prepared by suitable method possesses an obvious protective effect on injured hepatocyte and serum pharmacology can be applied to evaluated the pharmacological effect of CWC.

Field of study: Medicine
Learning interaction kernels in mean-field equations of 1st-order systems of interacting particles

We introduce a nonparametric algorithm to learn interaction kernels of mean-field equations for 1st-order systems of interacting particles. The data consist of discrete space-time observations of the solution. By least squares with regularization, the algorithm learns the kernel on data-adaptive hypothesis spaces efficiently. A key ingredient is a probabilistic error functional derived from the likelihood of the mean-field equation's diffusion process. The estimator converges, in a reproducing kernel Hilbert space and an L2 space under an identifiability condition, at a rate optimal in the sense that it equals the numerical integrator's order. We demonstrate our algorithm on three typical examples: the opinion dynamics with a piecewise linear kernel, the granular media model with a quadratic kernel, and the aggregation-diffusion with a repulsive-attractive kernel.

Field of study: Computer science
Performance Funding Comes of Age in Tennessee.

The Performance Funding Program is designed to stimulate instructional improvement and student learning as institutions carry out their respective missions. Performance Funding is an incentive for meritorious institutional performance and provides the citizens of Tennessee, the Executive Branch of state government, the legislature, education officials, and faculty with a means of assessing the progress of publicly funded higher education. By encouraging instructional excellence, the Performance Funding Program contributes to continuing public support of higher education and complements academic planning, program improvement, and student learning. Tennessee Higher Education Commission 9 February 1990

Field of study: Education
The Economics of Mitigating Climate Change?

Economic analyses of the long-term costs of mitigating climate change are unknowable, argue these authors. To base climate policy on them is irresponsible. However, the authors support the moral argument that it is necessary to control climate because its likely devastating effect on human civilization is reason enough to pursue climate mitigation policies. This technical paper is a valuable retort to economic oversimplifications prevalent in the climate change literature.

Field of study: Economics
Intercomparison of atmospheric water vapor soundings from the differential absorption lidar (DIAL) and the solar FTIR system on Mt. Zugspitze

We present an intercomparison of three years of measurements of integrated water vapor (IWV) performed by the mid-infrared solar FTIR (Fourier Transform Infra-Red) instrument on the summit of Mt. Zugspitze (2964 m a.s.l.) and by the nearby near-infrared differential absorption lidar (DIAL) at the Schneefernerhaus research station (2675 m a.s.l.). The solar FTIR was shown to be one of the most accurate and precise IWV sounders in recent work (Sussmann et al., 2009) and is taken as the reference here. By calculating the FTIR-DIAL correlation (22 min coincidence interval, 15 min integration time) we derive an almost ideal slope of 0.996 (10), a correlation coefficient of R = 0.99, an IWV intercept of −0.039 (42) mm (−1.2 % of the mean), and a bias of −0.052 (26) mm (−1.6 % of the mean) from the scatter plot. By selecting a subset of coincidences with an optimum temporal and spatial matching between DIAL and FTIR, we obtain a conservative estimate of the precision of the DIAL in measuring IWV which is better than 0.1 mm (3.2 % of the mean). We found that for a temporal coincidence interval of 22 min the difference in IWV measured by these two systems is dominated by the volume mismatch (horizontal distance: 680 m). The outcome from this paper is twofold: (1) the IWV soundings by FTIR and DIAL agree very well in spite of the differing wavelength regions with different spectroscopic line parameters and retrieval algorithms used. (2) In order to derive an estimate of the precision of state-of-the-art IWV sounders from intercomparison experiments, it is necessary to use a temporal matching on time scales shorter than 10 min and a spatial matching on the 100-m scale.

Field of study: Environmental science
Dissociable motor roles of the rat's striatum conform to a somatotopic model.

The findings of this study indicate distinctive roles of different regions of the rostral striatum of rat in segmental motor control. In order to test the hypothesis of somatotopically organized motoric functions in the striatum, the effects of bilateral ibotenate-induced lesions of either the dorsomedial or the dorsolateral or the ventrolateral regions of the rostral striatum on reaching movements of the tongue and the forelimbs were examined. Lesions of the dorsolateral region chronically impaired reaching movements of the forelimbs but not of the tongue. Lesions of the ventrolateral region impaired initiation and execution of reaching movements of both the tongue and the forelimbs, with the impairment of forelimb reaching being somewhat less severe than that produced by dorsolateral lesions. Neuronal loss in the medial striatum had no chronic effects on either movements. The impairments of reaching performance reflected failures of motor synergisms between tongue and head and between limb and paw, as well as alterations in the scaling of movement amplitude. These findings support the hypothesis of a motor somatotopy in the lateral region of the rat's rostral striatum and of a critical role of the lateral striatum in initiation, scaling, and coordination of reaching movements.

Field of study: Biology, Psychology
Learning detectors of malicious web requests for intrusion detection in network traffic

This paper proposes a generic classification system designed to detect security threats based on the behavior of malware samples. The system relies on statistical features computed from proxy log fields to train detectors using a database of malware samples. The behavior detectors serve as basic reusable building blocks of the multi-level detection architecture. The detectors identify malicious communication exploiting encrypted URL strings and domains generated by a Domain Generation Algorithm (DGA) which are frequently used in Command and Control (C&C), phishing, and click fraud. Surprisingly, very precise detectors can be built given only a limited amount of information extracted from a single proxy log. This way, the computational requirements of the detectors are kept low which allows for deployment on a wide range of security devices and without depending on traffic context such as DNS logs, Whois records, webpage content, etc. Results on several weeks of live traffic from 100+ companies having 350k+ hosts show correct detection with a precision exceeding 95% of malicious flows, 95% of malicious URLs and 90% of infected hosts. In addition, a comparison with a signature and rule-based solution shows that our system is able to detect significant amount of new threats.

Field of study: Computer science
High-contrast, all-optical switching in bacteriorhodopsin films.

We report experiments with nonlinear-absorption-based, high-contrast, all-optical switching in photochromic bacteriorhodopsin (BR) films. The switching action is accomplished by control of the transmission of a weak probe beam through a BR sample with the help of strong pump beam illumination at 532 nm wavelength. We found that the switching properties of BR films depend on several experimentally controllable parameters such as probe wavelength, pump beam intensity, and excitation rate. A comparative study of the switching behavior and other parameters of practical use was carried out at three probe wavelengths (543, 594, and 633 nm) and various beam powers and pump excitation rates. The results are presented for commercially available wild-type and D96N variant BR films.

Field of study: Physics
Efficient and Versatile Modification of the Secondary Face of Cyclodextrins through Copper‐Catalyzed Huisgen 1,3‐Dipolar Cycloaddition

The perfunctionalization of the secondary face of cyclodextrins (CDs) is a challenging task that often results in poor yields. Here, we report that the use of copper-catalyzedHuisgen 1,3-dipolar cycloaddition is an efficient and versatile strategy that provides perfunctionalized CDs at the secondary face with good to high yields. A variety of functional groups, such as alkyl, alkenyl, ester, carboxylic acid, amide, and alcohol, have been successfully incorporated on the secondary face of β-CD from the same starting material. These functionalized CD derivatives could be used as building blocks for further structural modification or as hosts for different applications.

Field of study: Chemistry
Bioaccumulation of organic contaminants in humans: a multimedia perspective and the importance of biotransformation.

Bioaccumulation is an important component of the exposure hazard assessment and risk assessment of organic chemicals. Screening criteria for chemical hazard used in national and international regulations are based on the paradigm that partitioning properties are the primary chemical determinants of bioaccumulation. We use a holistic multimedia perspective to evaluate the partitioning property paradigm with respect to assessing human bioaccumulation. Multimedia bioaccumulation factors (mmBAFs) for humans were modeled for hypothetical chemicals with a wide range of physical-chemical properties. Varying partitioning properties over 12 orders of magnitude (a plausible range for nonionizing organics) resulted in only modest changes in mmBAFs (a factor of ∼ 10) for all but very volatile or hydrophilic chemicals. In contrast, varying biotransformation rate constants over 6 orders of magnitude resulted in substantial differences in mmBAFs (greater than a factor of 10(9)). Our model results are supported by empirical observations of well characterized pollutants, which demonstrate that chemicals with similar partitioning properties can have very different bioaccumulation behavior. Susceptibility to biotransformation clearly determines bioaccumulation in humans for many chemicals. We conclude that a holistic multimedia perspective for bioaccumulation assessment is necessary to develop regulations, criteria, and policies that are protective of human health and the environment.

Field of study: Environmental science
Thermodynamic properties of HFO-1336mzz(E) (trans-1,1,1,4,4,4-hexafluoro-2-butene) at saturation conditions

The thermodynamic properties of HFO-1336mzz(E) ( trans -1,1,1,4,4,4-hexafluoro-2-butene) were determined. The critical point was ascertained by visual observation of the meniscus disappearance within an optical cell. The critical temperature, critical density, and critical pressure were determined to be 403.37 ± 0.03 K, 515.3 ± 5.0 kg m −3 , and 2766.4 ± 4.5 kPa, respectively. Vapor pressures were also measured at temperatures ranging from 323 K (50 °C) to the critical temperature, and were correlated using the Wagner-type equation. The acentric factor and normal boiling point were determined to be 0.4053 and 280.58 K (7.43 °C), respectively, using the vapor pressure correlation. Based on the critical parameters and the acentric factor, saturated vapor densities and liquid densities were estimated using the Peng–Robinson equation and the Hankinson–Thomson equation, respectively. The heat of vaporization was also calculated from the Clausius–Clapeyron equation.

Field of study: Engineering